data_r5hkxsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-01-18 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      5hkx 
_cell.length_a      44.0750 
_cell.length_b      108.7370 
_cell.length_c      49.3040 
_cell.angle_alpha   90.0000 
_cell.angle_beta    115.3140 
_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   1.0000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.850 
_diffrn_reflns.pdbx_d_res_low    54.368 
_diffrn_reflns.limit_h_max       21 
_diffrn_reflns.limit_h_min       -23 
_diffrn_reflns.limit_k_max       58 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       26 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            35782 
_diffrn_reflns.pdbx_number_obs   35594 
# 
_entry.id   5hkx 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5hkx 
_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 -23 0  5  o 25.09269 15.52172 8.384757       15.66507  8.384757       
15.66507  8.384757       15.66507  25.09269 15.52172 25.09269 15.52172 
0.000000       0.000000 
1 1 1 -23 0  6  o 55.10707 17.80441 43.74037       17.62823  43.74037       
17.62823  43.74037       17.62823  55.10707 17.80441 55.10707 17.80441 
0.000000       0.000000 
1 1 1 -23 0  7  o 68.09122 15.27348 58.28864       18.46250  58.28864       
18.46250  58.28864       18.46250  68.09122 15.27348 68.09122 15.27348 
0.000000       0.000000 
1 1 1 -23 0  8  o 129.3607 8.516049 178.6080       22.17953  178.6080       
22.17953  178.6080       22.17953  129.3607 8.516049 129.3607 8.516049 
0.000000       0.000000 
1 1 1 -23 0  9  o 35.58039 18.86360 22.59309       18.35299  22.59309       
18.35299  22.59309       18.35299  35.58039 18.86360 35.58039 18.86360 
0.000000       0.000000 
1 1 1 -23 0  10 o 28.23207 17.42678 10.41951       19.63999  10.41951       
19.63999  10.41951       19.63999  28.23207 17.42678 28.23207 17.42678 
0.000000       0.000000 
1 1 1 -23 0  11 o 23.66945 15.53722 0.8328409      18.78955  0.8328409      
18.78955  0.8328409      18.78955  23.66945 15.53722 23.66945 15.53722 
-0.000000      0.000000 
1 1 1 -23 0  12 o 39.02353 20.20118 27.59663       20.67380  27.59663       
20.67380  27.59663       20.67380  39.02353 20.20118 39.02353 20.20118 
0.000000       0.000000 
1 1 1 -23 0  13 o 20.50166 14.23501 -13.20617      20.80186  -13.20617      
20.80186  -13.20617      20.80186  20.50166 14.23501 20.50166 14.23501 
0.000000       0.000000 
1 1 1 -23 0  14 o 99.56913 12.30213 112.5890       23.88769  112.5890       
23.88769  112.5890       23.88769  99.56913 12.30213 99.56913 12.30213 
-0.000000      0.000000 
1 1 1 -23 0  15 o 49.11346 21.29925 41.60875       21.97484  41.60875       
21.97484  41.60875       21.97484  49.11346 21.29925 49.11346 21.29925 
0.000000       0.000000 
1 1 1 -23 0  16 o 28.26431 17.86053 10.09938       21.93768  10.09938       
21.93768  10.09938       21.93768  28.26431 17.86053 28.26431 17.86053 
-0.000000      0.000000 
1 1 1 -23 0  17 o 148.9212 9.496979 241.2076       28.49213  241.2076       
28.49213  241.2076       28.49213  148.9212 9.496979 148.9212 9.496979 
-0.000000      0.000000 
1 1 1 -23 1  5  o 28.36337 12.08396 4.704672       12.25113  18.80297       
17.33098  -9.376523      17.32046  38.67175 15.14935 26.45796 12.46131 
12.21379       19.61599 
1 1 1 -23 1  6  o 27.51350 11.73985 3.702007       11.59549  1.666983       
16.39776  5.737400       16.39925  29.98727 13.34676 31.79834 13.76875 
-1.811073      19.17588 
1 1 1 -23 1  7  o 32.26033 12.78329 9.944328       12.47032  12.94201       
17.88050  7.105375       17.40069  36.40223 14.98580 33.29317 14.29808 
3.109055       20.71254 
1 1 1 -23 1  8  o 73.21810 9.191036 60.12978       13.38310  73.16153       
19.08820  47.53026       18.76897  78.04163 12.44592 60.11712 15.31112 
17.92451       19.73148 
1 1 1 -23 1  9  o 57.88145 11.63990 39.69558       13.22575  54.14133       
18.77756  25.47386       18.63138  65.44156 14.49244 44.57244 16.07026 
20.86911       21.63987 
1 1 1 -23 1  10 o 32.71275 13.11400 9.255308       13.27406  8.306266       
18.82196  10.19441       18.72313  35.26208 14.99945 36.10817 15.13831 
-0.8460922     21.31084 
1 1 1 -23 1  11 o 90.10075 8.480406 88.82100       15.35523  104.4476       
22.08413  74.19573       21.36488  94.90899 11.68959 77.81197 14.01773 
17.09702       18.25221 
1 1 1 -23 1  12 o 45.45966 14.20507 25.73055       14.57520  20.77718       
20.28632  31.01575       20.95481  42.35975 16.44657 48.49309 17.08963 
-6.133347      23.71803 
1 1 1 -23 1  13 o 62.95051 11.94927 46.72219       14.73700  61.39764       
21.02618  32.55187       20.66115  69.49803 15.29270 49.47259 16.99728 
20.02544       22.86426 
1 1 1 -23 1  14 o 63.37475 12.62909 48.17659       15.70429  32.91148       
22.07971  63.80519       22.34105  49.39678 17.52788 70.04634 16.03095 
-20.64956      23.75328 
1 1 1 -23 1  15 o 27.52815 12.48334 -3.456936      15.11119  1.676464       
21.85720  -8.157228      20.91483  34.15867 15.29099 30.35375 14.09760 
3.804922       20.79799 
1 1 1 -23 1  16 o 93.50671 8.909768 96.90199       16.73692  60.60015       
23.20116  136.2910       24.16758  66.57074 17.06038 108.6569 11.09325 
-42.08611      20.34986 
1 1 1 -23 1  17 o 80.28708 10.42988 74.08489       16.62628  90.98273       
23.03838  55.71879       24.01844  85.79015 13.66409 62.24179 17.97256 
23.54836       22.57698 
1 1 1 -23 2  5  o 79.73123 7.936859 70.69213       12.69749  55.89930       
17.51108  87.09377       18.43873  65.76357 13.54507 85.59026 10.83664 
-19.82669      17.34652 
1 1 1 -23 2  6  o 51.50490 11.98514 32.75217       12.31704  40.51679       
17.49263  25.11705       17.34615  54.50621 15.20604 43.16676 15.51245 
11.33945       21.72233 
1 1 1 -23 2  7  o 100.0571 6.931328 107.9041       14.01625  120.8690       
20.00779  95.40992       19.64123  103.2842 9.637403 90.43729 10.89957 
12.84689       14.54923 
1 1 1 -23 2  8  o 116.3230 6.411211 144.1010       15.10695  130.2246       
21.13509  158.5967       21.60147  107.4113 9.783427 119.5434 8.950970 
-12.13215      13.26029 
1 1 1 -23 2  9  o 35.36498 13.15644 13.65186       12.64379  19.87211       
17.53108  6.908927       18.25278  40.86062 15.43246 34.12828 14.64999 
6.732338       21.27870 
1 1 1 -23 2  10 o 69.49443 10.66908 55.42218       14.59562  50.37801       
19.98364  61.18971       21.36854  62.06627 15.79404 68.82825 15.62437 
-6.761982      22.21649 
1 1 1 -23 2  11 o 62.90609 11.98477 46.74761       14.77131  51.68857       
20.42695  41.33200       21.38559  62.91964 15.94492 55.07560 17.20616 
7.844040       23.45831 
1 1 1 -23 2  12 o 83.62101 9.471808 77.87547       15.82238  76.94128       
21.66783  78.94267       23.15898  79.36912 13.93322 79.51097 14.86989 
-0.1418533     20.37764 
1 1 1 -23 2  13 o 29.88956 12.97919 2.450850       14.65559  -10.16598      
20.10148  16.76763       21.41291  29.31473 13.68338 40.49983 16.50397 
-11.18510      21.43865 
1 1 1 -23 2  14 o 47.04839 14.44064 27.97011       15.13915  34.25579       
21.25869  21.50225       21.56458  50.31157 17.24353 42.84110 16.86270 
7.470467       24.11825 
1 1 1 -23 2  15 o 38.28683 14.38178 16.56842       15.18032  12.54639       
21.50760  20.56112       21.42903  38.29782 16.14927 42.13455 16.73792 
-3.836723      23.25849 
1 1 1 -23 2  16 o 50.64965 14.34911 32.89938       15.45246  24.15550       
22.27557  41.00998       21.45375  43.88706 17.17982 54.16452 17.27403 
-10.27746      24.36264 
1 1 1 -23 2  17 o 101.1321 8.575326 112.9926       17.46950  95.53750       
24.68329  130.5109       24.72798  87.02073 14.45577 105.2204 11.75782 
-18.19971      18.63372 
1 1 1 -23 3  5  o 84.91547 7.668461 79.72221       13.09890  86.05923       
18.60320  73.49109       18.44708  84.79398 11.05145 77.13255 12.16393 
7.661438       16.43459 
1 1 1 -23 3  6  o 43.31668 12.91960 23.94569       12.24117  32.99449       
17.20266  14.66393       17.42269  48.80964 15.45783 36.71653 14.91610 
12.09311       21.48103 
1 1 1 -23 3  7  o 64.14457 10.11074 47.55602       12.75171  49.51503       
17.59281  45.38756       18.50937  61.93455 14.26301 58.06590 15.41706 
3.868652       21.00284 
1 1 1 -23 3  8  o 33.03002 12.86922 10.83445       12.45465  8.037651       
17.53229  13.68369       17.69591  34.01769 14.47343 36.97546 15.02822 
-2.957767      20.86451 
1 1 1 -23 3  9  o 24.72100 11.20361 -3.450279      12.15031  -10.74541      
16.91115  4.333786       17.46867  26.41630 12.40113 32.47010 14.13504 
-6.053808      18.80392 
1 1 1 -23 3  10 o 66.86758 10.76365 51.51864       14.13945  32.11816       
19.76813  71.84100       20.23236  49.03166 16.62889 76.84371 13.43680 
-27.81205      21.37914 
1 1 1 -23 3  11 o 38.14413 13.80937 16.66531       13.77836  30.45922       
19.88326  3.922397       19.11078  48.07542 16.66525 33.53885 14.68731 
14.53657       22.21368 
1 1 1 -23 3  12 o 59.06279 12.56242 41.88743       14.62423  75.65828       
20.90882  9.544524       20.46199  79.04428 13.49218 36.72619 15.63116 
42.31809       20.64878 
1 1 1 -23 3  13 o 32.04763 13.37260 6.813991       14.50963  17.86659       
20.26293  -4.817201      20.78653  40.66000 16.23699 31.42472 14.39867 
9.235283       21.70165 
1 1 1 -23 3  14 o 82.87385 9.693034 77.01086       16.02675  77.85107       
22.04680  76.06929       23.33886  79.41983 14.17080 77.27252 15.39329 
2.147308       20.92284 
1 1 1 -23 3  15 o 64.48465 12.60796 50.10477       15.94056  69.94361       
22.96170  31.64867       22.14706  73.30251 15.86439 48.29544 17.50428 
25.00706       23.62369 
1 1 1 -23 3  16 o 81.86502 10.26408 76.48362       16.71153  97.80973       
23.62553  55.12808       23.64182  89.51606 13.38995 62.43036 17.77038 
27.08570       22.25033 
1 1 1 -23 3  17 o 49.99571 14.87433 32.88907       16.24064  30.05354       
22.93284  35.74192       23.00277  46.67975 17.64571 49.91453 17.87138 
-3.234783      25.11489 
1 1 1 -23 4  5  o 31.59822 12.49387 10.23856       11.88816  18.05613       
16.53509  1.873658       17.10414  37.98079 14.81988 30.12122 13.50207 
7.859570       20.04831 
1 1 1 -23 4  6  o 39.92619 13.01319 20.21321       12.13059  15.56318       
17.07663  24.94985       17.23495  37.06373 14.86857 42.93500 15.45911 
-5.871265      21.44897 
1 1 1 -23 4  7  o 59.34587 11.05228 41.79939       12.84729  46.86517       
18.18894  36.75596       18.14876  59.33814 15.05092 51.65052 15.80397 
7.687614       21.82420 
1 1 1 -23 4  8  o 44.45985 13.04171 24.73083       12.55861  46.25342       
18.10476  4.770574       17.43527  59.41074 14.98699 32.40176 14.11311 
27.00898       20.58615 
1 1 1 -23 4  9  o 32.58921 12.85024 9.967709       12.54380  -5.335361      
17.55761  25.92219       17.92741  28.68097 13.17521 44.72573 15.80215 
-16.04476      20.57411 
1 1 1 -23 4  10 o 60.70991 11.53962 43.41330       13.72555  33.30684       
18.91610  54.65088       19.94659  49.94694 16.24878 65.04225 15.33124 
-15.09531      22.33987 
1 1 1 -23 4  11 o 43.72261 14.20908 23.79167       14.46653  25.54650       
19.99081  21.86235       20.96118  44.87437 16.57289 42.86586 16.69702 
2.008507       23.52554 
1 1 1 -23 4  12 o 57.86555 12.98345 40.73122       14.90214  38.99781       
20.98204  42.49563       21.16882  53.52876 17.08432 55.85877 17.06445 
-2.330006      24.14683 
1 1 1 -23 4  13 o 30.89846 13.16397 4.725116       14.53883  17.13747       
20.45048  -7.959271      20.67336  40.27061 16.23018 30.31789 14.05825 
9.952717       21.47215 
1 1 1 -23 4  14 o 48.20138 14.35476 29.49010       15.12029  37.63755       
21.38350  21.34292       21.38314  52.32719 17.28840 42.59025 16.78280 
9.736935       24.09463 
1 1 1 -23 4  15 o 42.70651 14.56231 22.79941       15.16083  20.69639       
21.83931  24.75560       21.06306  42.15568 16.84878 44.21935 16.86411 
-2.063663      23.83861 
1 1 1 -23 4  16 o 72.25195 11.15196 60.95057       15.85777  66.22623       
22.33261  55.58545       22.52114  70.86044 15.89034 63.39002 17.08432 
7.470425       23.33188 
1 1 1 -23 4  17 o 90.48004 11.25926 95.85063       20.26830  97.71004       
24.06721  91.31541       37.58703  88.61253 13.80583 72.37496 22.84149 
16.23756       26.68959 
1 1 1 -23 5  6  o 59.16116 10.93506 41.86968       12.67097  15.33891       
17.36430  72.08714       18.53152  36.93320 14.93074 76.54639 12.32344 
-39.61319      19.35960 
1 1 1 -23 5  7  o 53.19813 11.96959 34.67015       12.63558  6.373292       
17.31344  66.91785       18.48262  32.73560 14.16097 73.65573 12.80455 
-40.92013      19.09161 
1 1 1 -23 5  8  o 35.20001 13.16062 13.81805       12.68287  6.836677       
17.43555  21.66327       18.48279  33.27803 14.30257 41.59964 15.81353 
-8.321613      21.32208 
1 1 1 -23 5  9  f 33.33206 13.03665 10.91721       12.81839  -3.558828      
17.55678  27.44321       18.75875  29.26217 13.34113 45.59289 16.15839 
-16.33071      20.95422 
1 1 1 -23 5  10 o 81.48551 8.740987 73.43507       14.25792  104.9524       
19.88556  40.09035       20.45394  96.07632 10.34105 54.08665 16.81575 
41.98967       19.74100 
1 1 1 -23 5  11 o 41.88879 13.81588 21.55836       13.65825  19.96935       
19.08224  23.22758       19.55791  41.34473 15.97932 43.33621 16.31530 
-1.991474      22.83698 
1 1 1 -23 5  12 o 57.12212 13.41353 40.24584       15.31516  1.630002       
20.69342  87.01514       22.77351  33.50598 14.94714 84.42753 13.73692 
-50.92155      20.30074 
1 1 1 -23 5  13 o 25.83809 11.89931 -6.305039      14.44537  -0.5021985     
20.11522  -12.48441      20.75759  32.35557 14.56177 29.02029 13.66012 
3.335285       19.96607 
1 1 1 -23 5  14 f 41.88266 14.67290 21.61909       15.43283  25.34636       
21.79049  17.86791       21.86030  44.69953 17.12769 40.84645 16.66378 
3.853085       23.89643 
1 1 1 -23 5  15 o 44.22824 14.74565 24.92081       15.54309  11.15265       
21.63011  39.62077       22.35007  37.54522 16.02761 52.95396 17.68288 
-15.40874      23.86564 
1 1 1 -23 5  16 o 60.63955 13.17517 45.50912       15.78217  54.67321       
21.92790  35.66014       22.73255  63.03996 16.80083 50.08199 17.78362 
12.95797       24.46477 
1 1 1 -23 6  6  o 74.74479 12.27732 68.88604       18.01294  68.88604       
18.01294  0.000000       0.000000  74.74479 12.27732 ?        ?        
0.000000       12.27732 
1 1 1 -23 6  7  o 25.12091 11.29903 -1.753293      12.08985  17.34364       
16.74734  -22.53590      17.47086  38.24522 14.91702 23.41982 11.40559 
14.82540       18.77777 
1 1 1 -23 6  8  o 44.43085 13.24198 24.98304       12.86325  35.59600       
18.09724  14.14633       18.28702  51.01892 15.81003 37.19205 15.21480 
13.82687       21.94190 
1 1 1 -23 6  9  o 66.83810 10.26386 51.38752       13.50441  39.09687       
18.18638  66.49403       20.16233  53.98180 15.65400 72.67286 14.15220 
-18.69106      21.10290 
1 1 1 -23 6  10 o 39.70499 13.75959 19.08642       13.55376  24.03654       
18.10864  12.78100       20.43785  43.48223 15.81764 37.76804 15.82436 
5.714184       22.37428 
1 1 1 -23 6  11 o 78.00309 9.543853 68.32859       14.82286  63.23285       
20.50534  73.90573       21.45209  70.63364 14.75187 77.06228 14.21278 
-6.428635      20.48465 
1 1 1 -23 6  12 o 39.09185 14.18180 17.94177       14.54244  28.83544       
19.77140  5.101805       21.46506  46.76567 16.58722 35.15707 15.47652 
11.60860       22.68608 
1 1 1 -23 6  13 o 30.74593 13.12658 4.665230       14.51156  5.969635       
20.13796  3.256227       20.92982  34.78677 15.15932 34.15126 15.14530 
0.6355133      21.42861 
1 1 1 -23 6  14 o 29.21401 12.88216 0.9985049      14.93289  9.270343       
21.14952  -7.224660      21.08720  36.58093 15.73804 30.64031 14.20440 
5.940622       21.20025 
1 1 1 -23 6  15 o 65.20860 12.48850 51.37178       15.95721  31.50354       
22.30295  72.20922       22.84046  47.84239 17.53121 74.47820 15.58142 
-26.63581      23.45472 
1 1 1 -23 6  16 o 48.76279 16.05069 32.27869       18.43766  51.07415       
22.31356  -8.174435      32.73545  60.11090 17.31302 36.22541 17.08286 
23.88548       24.32210 
1 1 1 -23 7  6  o 50.01331 13.84292 33.24886       14.55719  42.20861       
16.90075  7.494820       28.65370  55.71073 14.70340 37.15260 16.97923 
18.55813       22.46073 
1 1 1 -23 7  7  o 24.75812 11.15574 -1.942264      11.84671  11.79480       
16.74877  -15.69579      16.75880  34.96453 14.45970 24.43075 11.71649 
10.53378       18.61073 
1 1 1 -23 7  8  o 54.47645 12.03424 36.26317       12.97592  39.40947       
18.36165  33.12434       18.33982  53.57280 15.78515 48.95121 16.00299 
4.621586       22.47814 
1 1 1 -23 7  9  o 22.96599 10.79888 -9.515331      12.91194  -27.80656      
17.52415  12.20807       19.09762  22.52543 11.06444 36.65604 15.32263 
-14.13062      18.89986 
1 1 1 -23 7  10 o 136.5562 6.120073 197.2541       16.99493  199.9948       
23.45753  194.2262       24.65616  134.7663 8.604425 132.0335 9.241383 
2.732834       12.62693 
1 1 1 -23 7  11 o 76.98798 10.13657 67.50178       15.48375  83.67300       
21.76924  50.94431       22.02769  82.76466 13.39186 60.68085 17.11156 
22.08381       21.72896 
1 1 1 -23 7  12 o 48.42856 14.23028 29.91701       14.94064  41.69139       
21.11373  18.10794       21.14481  54.84679 17.09019 40.63646 16.45918 
14.21033       23.72719 
1 1 1 -23 7  13 o 78.36131 10.12430 69.84306       15.75584  36.45654       
21.64375  107.4810       22.98052  51.15693 17.39965 95.35181 12.12596 
-44.19488      21.20818 
1 1 1 -23 7  14 o 32.95173 13.67995 8.324788       15.07434  -3.775831      
21.37440  20.29928       21.26272  31.80905 14.58436 41.64988 16.63258 
-9.840834      22.12117 
1 1 1 -23 7  15 o 31.60777 13.98559 2.298525       17.74907  -9.865332      
20.80254  34.85125       34.03097  29.50477 13.81999 48.91027 20.45036 
-19.40551      24.68217 
1 1 1 -23 7  16 o 71.27667 14.10129 64.29465       19.71511  54.08173       
22.90098  93.53252       38.74825  61.56714 17.47760 72.36192 23.22951 
-10.79478      29.07021 
1 1 1 -23 8  6  o 98.54391 8.411313 108.9751       16.69420  100.6028       
19.50262  131.9284       32.29185  92.22155 10.59162 95.87630 17.19437 
-3.654755      20.19477 
1 1 1 -23 8  7  o 43.37775 14.48857 25.11951       15.00461  26.41313       
17.60493  21.68486       28.68620  43.82890 15.64069 42.03524 18.20586 
1.793655       24.00176 
1 1 1 -23 8  8  o 36.35464 13.17748 15.68717       12.55177  21.94498       
16.93387  8.056897       18.69884  41.26422 15.25049 34.17506 14.75021 
7.089157       21.21665 
1 1 1 -23 8  9  o 39.62456 13.65293 19.44976       13.33517  8.965558       
18.41607  31.00640       19.33503  34.69039 14.79844 47.39144 16.43357 
-12.70105      22.11461 
1 1 1 -23 8  10 o 54.78963 12.61842 36.91838       13.76889  35.86077       
18.80531  38.14055       20.21537  51.20650 16.15598 52.26979 16.77846 
-1.063290      23.29233 
1 1 1 -23 8  11 o 29.01522 12.67304 2.090550       14.14575  -11.39115      
19.54160  16.93182       20.50327  28.20098 13.26824 39.65303 16.15320 
-11.45205      20.90387 
1 1 1 -23 8  12 o 59.21012 13.00478 43.14620       15.23020  40.04604       
21.23471  46.43051       21.85625  53.45512 17.20020 57.51197 17.28834 
-4.056847      24.38716 
1 1 1 -23 8  13 o 34.27572 13.83336 10.85373       14.87881  0.9936061      
20.84139  21.10250       21.24815  33.04990 14.85314 42.00131 16.67277 
-8.951405      22.32929 
1 1 1 -23 8  14 o 38.11652 15.18901 15.67686       17.69715  13.17586       
21.00868  21.78791       32.83976  37.97974 15.98509 44.32799 19.33669 
-6.348251      25.08845 
1 1 1 -23 8  15 o 39.08146 15.43197 17.39992       18.11426  9.837313       
21.53582  35.69123       33.49253  36.60097 15.81339 48.92624 20.35797 
-12.32527      25.77810 
1 1 1 -23 8  16 o 60.11568 15.34213 48.25266       18.81796  55.80062       
22.21477  29.07598       35.40899  63.01256 16.96146 46.34208 20.14904 
16.67048       26.33771 
1 1 1 -23 9  6  o 30.27027 12.96403 6.170304       14.23451  -11.16780      
17.04364  46.15327       25.88207  25.58200 12.14152 52.20855 18.92277 
-26.62654      22.48306 
1 1 1 -23 9  7  o 30.29991 12.91719 6.004013       14.01500  -3.872243      
16.68023  29.71631       25.84596  27.83908 12.80817 44.78195 18.17653 
-16.94287      22.23590 
1 1 1 -23 9  8  o 41.40281 14.50878 22.31717       15.09001  51.16552       
18.81219  -29.73919      25.27062  61.71207 15.11136 27.55047 13.48165 
34.16160       20.25113 
1 1 1 -23 9  9  o 28.57864 12.30809 3.496372       12.96285  20.96975       
16.91388  -21.37703      20.18005  40.74176 15.20487 25.90602 12.53199 
14.83574       19.70378 
1 1 1 -23 9  10 o 114.3012 7.923358 142.9016       18.30302  112.2828       
21.59289  221.0513       34.49692  98.14127 11.00933 135.2266 12.69344 
-37.08530      16.80264 
1 1 1 -23 9  11 f 26.94646 12.21010 -2.840782      14.42431  13.67765       
19.67818  -22.02278      21.20545  37.61417 15.62395 26.69088 12.89589 
10.92330       20.25863 
1 1 1 -23 9  12 f 30.21228 12.99594 4.208389       14.41714  4.332326       
19.09162  4.043925       21.99259  33.20679 14.60741 34.64729 15.43618 
-1.440491      21.25211 
1 1 1 -23 9  13 o 34.55980 14.37494 10.01786       16.69037  12.13945       
19.75691  4.730010       31.19091  36.94734 15.52347 38.73040 17.70603 
-1.783058      23.54743 
1 1 1 -23 9  14 o 52.05093 15.44545 36.36769       17.52872  39.21919       
20.93159  29.67324       32.07178  52.61469 17.09134 46.63835 19.69632 
5.976337       26.07794 
1 1 1 -23 9  15 o 31.17467 13.71327 3.123563       16.82529  15.56300       
20.00932  -26.90212      31.08697  38.46962 15.84672 31.62696 15.35937 
6.842655       22.06873 
1 1 1 -23 9  16 o 34.02580 13.94762 10.67375       15.40656  11.16593       
20.73915  10.06767       23.01436  36.50922 15.64244 36.93479 16.14751 
-0.4255714     22.48173 
1 1 1 -23 10 7  o 27.05267 12.20163 -0.8804659     14.21287  0.3021089      
16.29975  -4.632048      29.03179  29.03514 13.08396 34.12168 16.08979 
-5.086542      20.73816 
1 1 1 -23 10 8  o 42.18343 15.33954 23.88209       17.02821  23.88209       
17.02821  0.000000       0.000000  42.18343 15.33954 ?        ?        
0.000000       15.33954 
1 1 1 -23 10 9  o 42.89563 15.67866 24.55566       17.82223  24.55566       
17.82223  0.000000       0.000000  42.89563 15.67866 ?        ?        
0.000000       15.67866 
1 1 1 -23 10 10 o 44.04332 16.00041 26.01431       18.52063  26.01431       
18.52063  0.000000       0.000000  44.04332 16.00041 ?        ?        
0.000000       16.00041 
1 1 1 -23 10 11 o 38.98469 15.64157 17.17711       18.90151  17.17711       
18.90151  0.000000       0.000000  38.98469 15.64157 ?        ?        
0.000000       15.64157 
1 1 1 -23 10 12 o 32.71842 14.49544 3.415953       19.12595  3.415953       
19.12595  0.000000       0.000000  32.71842 14.49544 ?        ?        
0.000000       14.49544 
1 1 1 -23 10 13 o 95.49599 9.688020 103.3693       18.55314  107.7678       
21.39519  90.03380       37.25365  95.95199 11.17435 71.57103 22.75624 
24.38096       25.35177 
1 1 1 -23 10 14 o 61.69911 14.29239 49.09086       17.58028  49.09848       
21.04299  49.07325       31.98900  59.14052 16.74138 54.18436 20.75458 
4.956154       26.66508 
1 1 1 -23 10 15 o 44.22587 15.61152 26.18451       17.49370  29.69553       
21.04885  18.34303       31.45654  46.06984 17.00751 42.17740 18.64268 
3.892441       25.23499 
1 1 1 -23 11 7  o 42.95514 14.16846 25.03913       14.36417  24.34258       
17.15206  26.67484       26.28400  41.86615 15.36910 42.82320 17.94408 
-0.9570580     23.62625 
1 1 1 -23 11 8  o 27.21208 12.13192 0.3881172      13.60987  8.810561       
16.43865  -17.96562      24.26662  33.01233 14.02949 28.95834 13.94215 
4.053989       19.77903 
1 1 1 -23 11 9  o 72.80666 13.01386 66.34672       18.56049  66.34672       
18.56049  0.000000       0.000000  72.80666 13.01386 ?        ?        
0.000000       13.01386 
1 1 1 -23 11 10 o 85.84480 11.63486 88.14224       19.78744  88.14224       
19.78744  0.000000       0.000000  85.84480 11.63486 ?        ?        
0.000000       11.63486 
1 1 1 -23 11 11 o 27.59345 12.83828 -7.271957      17.46853  -7.271957      
17.46853  0.000000       0.000000  27.59345 12.83828 ?        ?        
0.000000       12.83828 
1 1 1 -23 11 12 o 24.98635 12.12269 -22.32030      19.24072  -22.32030      
19.24072  0.000000       0.000000  24.98635 12.12269 ?        ?        
0.000000       12.12269 
1 1 1 -23 11 13 o 54.02290 17.01108 41.92741       20.85723  41.92741       
20.85723  0.000000       0.000000  54.02290 17.01108 ?        ?        
0.000000       17.01108 
1 1 1 -23 11 14 o 73.42395 10.91763 63.40551       15.80500  40.14459       
20.92937  94.27307       24.10982  52.66053 17.08966 85.91943 14.30187 
-33.25890      22.28453 
1 1 1 -23 11 15 o 31.59046 13.41382 6.821789       15.00461  17.40577       
20.69909  -4.898314      21.78174  39.16672 16.12379 31.11644 14.42912 
8.050285       21.63738 
1 1 1 -23 12 8  o 30.48565 13.15863 5.677269       14.88308  6.293833       
16.90335  3.550540       31.39347  31.87978 13.89067 36.76524 17.14063 
-4.885456      22.06245 
1 1 1 -23 12 9  o 25.28629 11.44115 -2.082127      12.61169  17.01800       
17.11134  -24.79705      18.66043  37.72487 14.96616 23.73767 11.60934 
13.98720       18.94104 
1 1 1 -23 12 10 o 32.36869 13.13789 9.841270       13.50250  -1.106764      
18.60458  22.02603       19.62729  30.25578 13.77062 41.13986 16.12024 
-10.88408      21.20123 
1 1 1 -23 12 11 o 44.45025 15.22746 26.72605       16.57817  29.14150       
19.68419  20.83203       30.74851  45.53892 16.50276 42.38752 18.59448 
3.151398       24.86153 
1 1 1 -23 12 12 o 81.22179 9.941464 75.92848       16.07727  98.03054       
22.11136  51.13652       23.41825  89.59056 12.47528 58.33907 17.96928 
31.25150       21.87527 
1 1 1 -23 12 13 o 39.80959 15.09919 19.85530       16.82694  12.36783       
20.23685  36.62993       30.29018  36.64909 15.57037 48.29956 19.64974 
-11.65046      25.07087 
1 1 1 -23 12 14 o 51.48180 15.45171 36.53698       17.46907  37.10930       
21.36631  35.38300       30.33942  50.15586 17.28187 47.65631 19.55819 
2.499550       26.09954 
1 1 1 -23 13 8  o 21.73187 10.32831 -10.37053      12.41560  2.431096       
16.96618  -25.12949      18.21709  30.09811 13.47272 23.11543 11.33941 
6.982674       17.60955 
1 1 1 -23 13 9  o 29.56299 12.56626 5.825227       13.19355  23.23637       
17.78365  -15.48980      19.67660  41.28222 15.55460 26.46828 12.69415 
14.81394       20.07703 
1 1 1 -23 13 10 o 25.16487 11.37012 -1.910669      12.40474  2.184752       
16.24755  -7.634233      19.20754  29.87394 13.29163 28.37479 13.28718 
1.499153       18.79405 
1 1 1 -23 13 11 o 70.58276 10.83571 59.10096       15.05576  43.70496       
20.48814  77.17509       22.19870  54.62056 16.80485 76.39159 14.82466 
-21.77103      22.40923 
1 1 1 -23 13 12 o 39.34459 14.06776 19.71523       14.24864  23.33906       
19.47849  15.54417       20.89751  41.83408 16.15112 38.04814 15.97455 
3.785934       22.71662 
1 1 1 -23 13 13 o 122.8802 6.939600 163.4606       17.26982  144.9754       
23.23391  186.2831       25.81611  111.6711 10.34890 127.0601 10.07407 
-15.38898      14.44253 
1 1 1 -23 13 14 o 30.00390 13.72588 -1.966492      18.78647  18.02530       
24.44120  -30.83127      29.36843  39.87659 17.03044 29.53412 14.46957 
10.34248       22.34736 
1 1 1 -23 14 9  o 27.29019 12.05869 1.761626       13.15115  -1.582063      
19.26640  4.678779       17.99564  29.99039 13.78586 31.58217 14.02297 
-1.591774      19.66452 
1 1 1 -23 14 10 o 24.55719 11.49508 -7.596235      14.35213  -11.07107      
21.60152  -4.850101      19.20341  28.79476 13.66708 29.04726 13.49668 
-0.2524929     19.20806 
1 1 1 -23 14 11 o 37.30637 14.24066 17.15367       15.02805  39.29083       
22.47857  -0.7372635     20.20804  50.25425 17.70118 31.06347 14.21981 
19.19077       22.70539 
1 1 1 -23 14 12 o 72.14807 11.05141 62.31491       15.69764  79.53868       
21.52551  42.75018       22.94174  78.26970 14.03995 52.29999 17.91318 
25.96971       22.75966 
1 1 1 -23 14 13 o 32.04489 13.27439 9.079846       14.14932  17.01706       
19.64443  0.5227594      20.39710  38.17294 15.71034 31.65226 14.41106 
6.520674       21.31885 
1 1 1 -23 15 10 o 32.83915 13.11618 11.56458       13.22484  -6.809890      
17.85274  33.90876       19.68701  27.38115 12.81810 47.28911 16.57201 
-19.90796      20.95078 
1 1 1 -23 15 11 o 103.2705 7.505864 117.6189       15.65485  102.6592       
21.61946  134.1093       22.69852  91.32231 11.92654 106.2846 10.64520 
-14.96232      15.98633 
1 1 1 -23 15 12 o 87.10513 8.979400 86.49185       15.67728  80.18293       
21.45234  93.72321       22.96713  78.29403 13.98720 85.04783 13.74894 
-6.753799      19.61314 
1 1 1 -22 0  2  o 31.29608 17.31006 17.48965       16.11505  17.48965       
16.11505  17.48965       16.11505  31.29608 17.31006 31.29608 17.31006 
-0.000000      0.000000 
1 1 1 -22 0  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -22 0  4  o 21.24239 14.11683 -1.850906      16.28399  -1.850906      
16.28399  -1.850906      16.28399  21.24239 14.11683 21.24239 14.11683 
0.000000       0.000000 
1 1 1 -22 0  5  o 36.56939 18.83034 23.04160       17.90040  23.04160       
17.90040  23.04160       17.90040  36.56939 18.83034 36.56939 18.83034 
0.000000       0.000000 
1 1 1 -22 0  6  o 41.24735 19.31930 28.23458       18.13355  28.23458       
18.13355  28.23458       18.13355  41.24735 19.31930 41.24735 19.31930 
0.000000       0.000000 
1 1 1 -22 0  7  o 123.2712 8.897004 160.8698       22.03571  160.8698       
22.03571  160.8698       22.03571  123.2712 8.897004 123.2712 8.897004 
-0.000000      0.000000 
1 1 1 -22 0  8  o 56.67488 18.20771 43.98611       18.51682  43.98611       
18.51682  43.98611       18.51682  56.67488 18.20771 56.67488 18.20771 
0.000000       0.000000 
1 1 1 -22 0  9  o 77.21964 14.23871 69.42951       20.11947  69.42951       
20.11947  69.42951       20.11947  77.21964 14.23871 77.21964 14.23871 
0.000000       0.000000 
1 1 1 -22 0  10 o 57.60437 19.82319 47.01212       20.89221  47.01212       
20.89221  47.01212       20.89221  57.60437 19.82319 57.60437 19.82319 
-0.000000      0.000000 
1 1 1 -22 0  11 o 21.29554 14.50552 -8.749892      19.30163  -8.749892      
19.30163  -8.749892      19.30163  21.29554 14.50552 21.29554 14.50552 
-0.000000      0.000000 
1 1 1 -22 0  12 o 21.67367 14.73639 -8.369509      19.73937  -8.369509      
19.73937  -8.369509      19.73937  21.67367 14.73639 21.67367 14.73639 
-0.000000      0.000000 
1 1 1 -22 0  13 o 34.67430 19.24484 19.69286       19.99636  19.69286       
19.99636  19.69286       19.99636  34.67430 19.24484 34.67430 19.24484 
0.000000       0.000000 
1 1 1 -22 0  14 o 22.60738 15.17629 -4.901186      19.67074  -4.901186      
19.67074  -4.901186      19.67074  22.60738 15.17629 22.60738 15.17629 
-0.000000      0.000000 
1 1 1 -22 0  15 o 24.77423 16.31193 -0.3628911     20.94366  -0.3628911     
20.94366  -0.3628911     20.94366  24.77423 16.31193 24.77423 16.31193 
-0.000000      0.000000 
1 1 1 -22 0  16 o 57.27301 20.87640 49.36741       22.38957  49.36741       
22.38957  49.36741       22.38957  57.27301 20.87640 57.27301 20.87640 
-0.000000      0.000000 
1 1 1 -22 0  17 o 53.17886 21.97769 46.57866       23.59213  46.57866       
23.59213  46.57866       23.59213  53.17886 21.97769 53.17886 21.97769 
-0.000000      0.000000 
1 1 1 -22 0  18 o 36.23727 20.52512 24.38959       23.33148  24.38959       
23.33148  24.38959       23.33148  36.23727 20.52512 36.23727 20.52512 
-0.000000      0.000000 
1 1 1 -22 0  19 o 39.35183 21.19329 30.46675       23.50049  30.46675       
23.50049  30.46675       23.50049  39.35183 21.19329 39.35183 21.19329 
0.000000       0.000000 
1 1 1 -22 1  2  o 47.29003 11.58497 27.31317       11.05291  40.11695       
15.75760  14.91221       15.50775  55.60387 13.95719 36.49100 14.32004 
19.11286       19.99666 
1 1 1 -22 1  3  o 25.55021 11.20917 0.3150902      11.17571  -3.557431      
15.52098  4.484457       16.10488  27.66577 12.58638 31.56313 13.65576 
-3.897352      18.57140 
1 1 1 -22 1  4  o 69.71978 9.340170 54.19985       12.90941  72.62143       
18.50742  36.74388       18.01584  78.83726 11.91595 53.15517 15.62834 
25.68209       19.65286 
1 1 1 -22 1  5  o 68.22562 9.761231 51.88628       13.15664  50.86988       
18.35722  52.95978       18.86581  64.42030 14.37757 65.66136 14.51504 
-1.241058      20.43039 
1 1 1 -22 1  6  o 94.77749 7.498996 95.73634       14.33503  105.0121       
20.32892  86.56226       20.21713  97.26949 10.44080 87.33970 11.67522 
9.929787       15.66272 
1 1 1 -22 1  7  o 85.10345 8.287428 77.75910       14.16032  68.01569       
19.77262  88.01785       20.28878  76.59421 13.16928 88.50528 11.54811 
-11.91107      17.51539 
1 1 1 -22 1  8  o 97.54255 7.304700 100.5749       14.38411  88.35747       
20.34393  112.7883       20.34048  88.93842 11.51910 101.7169 9.961550 
-12.77844      15.22899 
1 1 1 -22 1  9  o 65.13004 10.90619 47.23835       13.93390  32.55815       
19.32243  63.14332       20.11232  51.88672 16.37725 73.68229 13.93338 
-21.79557      21.50240 
1 1 1 -22 1  10 o 36.92659 13.68677 13.33401       13.65874  19.59886       
19.31941  7.073093       19.31333  43.39259 16.23914 36.59740 15.36086 
6.795185       22.35320 
1 1 1 -22 1  11 o 34.76455 13.66331 9.767395       14.13814  -14.85874      
20.16289  33.58698       19.82995  29.08271 13.61707 52.78851 16.58110 
-23.70579      21.45594 
1 1 1 -22 1  12 o 192.2379 5.307478 381.9171       20.74812  411.1549       
29.74276  354.2027       28.95754  197.9676 7.388152 183.4524 7.762235 
14.51515       10.71621 
1 1 1 -22 1  13 o 77.08113 9.807171 64.67554       15.02434  64.73558       
20.84036  64.61058       21.67973  74.54771 14.26710 74.04883 14.91316 
0.4988785      20.63861 
1 1 1 -22 1  14 o 62.33283 12.25945 44.27460       14.98587  24.30285       
20.79290  65.86200       21.61758  46.54584 16.94683 74.75552 14.74428 
-28.20969      22.46305 
1 1 1 -22 1  15 o 46.38892 14.28886 25.29128       14.80761  51.42601       
21.19183  0.3577389      20.69910  64.73222 16.15141 34.41064 15.17056 
30.32158       22.15883 
1 1 1 -22 1  16 o 44.73582 14.69352 23.49755       15.45454  -7.716681      
21.64503  55.95917       22.07329  32.06298 14.69181 67.10626 16.33018 
-35.04328      21.96643 
1 1 1 -22 1  17 o 28.16765 12.73104 -4.294032      15.56683  -7.409071      
22.09362  -1.223041      21.93686  32.26255 14.80533 34.21108 15.31633 
-1.948524      21.30229 
1 1 1 -22 1  18 o 99.85820 9.138280 109.0846       18.35089  91.19574       
25.62664  127.9119       26.29025  86.23077 15.16809 105.0745 12.55247 
-18.84371      19.68846 
1 1 1 -22 1  19 o 113.7803 8.212137 140.2451       18.87324  140.2989       
26.64257  140.1910       26.73926  109.9886 12.11258 109.8821 12.17102 
0.1064606      17.17115 
1 1 1 -22 2  2  f 36.12747 12.71427 15.62290       11.59462  10.86164       
15.94514  20.96527       16.89017  34.24884 14.13157 40.57122 15.18377 
-6.322380      20.74243 
1 1 1 -22 2  3  o 73.42932 8.719960 59.93337       12.76622  69.09373       
18.19139  51.04429       17.91999  76.05335 12.17296 63.39899 14.24682 
12.65436       18.73907 
1 1 1 -22 2  4  o 29.60348 12.08298 6.195645       11.50066  23.27394       
16.32234  -10.64227      16.20706  43.39065 15.09609 26.01697 12.19016 
17.37369       19.40339 
1 1 1 -22 2  5  o 31.45756 12.68866 7.528253       12.51047  7.273565       
17.29119  7.808036       18.12307  34.41546 14.49438 35.17030 14.82703 
-0.7548409     20.73470 
1 1 1 -22 2  6  o 42.11081 13.45689 20.76284       13.01483  30.83342       
18.32677  10.51679       18.48575  49.80316 15.97432 37.08305 15.24833 
12.72011       22.08371 
1 1 1 -22 2  7  o 114.2521 6.497195 137.0306       15.03292  117.0859       
21.14791  157.4029       21.37341  103.2311 10.20783 120.9695 8.747513 
-17.73836      13.44317 
1 1 1 -22 2  8  o 86.86360 8.004825 80.49855       13.98064  72.86214       
19.71967  88.21595       19.82396  79.99555 12.53392 89.06318 11.19285 
-9.067627      16.80414 
1 1 1 -22 2  9  o 71.45904 10.10858 56.05295       14.27933  56.36983       
19.76184  55.70674       20.65586  69.13188 14.51914 68.23211 15.26825 
0.8997726      21.06952 
1 1 1 -22 2  10 o 46.37455 13.76877 24.97768       13.92671  30.58698       
19.70626  19.38079       19.68444  50.60344 16.59065 43.36230 16.35870 
7.241135       23.29929 
1 1 1 -22 2  11 o 77.00421 9.858354 64.56329       15.08285  70.98406       
21.10274  57.85781       21.56553  78.53947 13.71183 69.54802 15.62916 
8.991455       20.79147 
1 1 1 -22 2  12 o 29.08314 12.70425 -0.3442054     14.21936  4.971955       
19.70606  -6.118800      20.53816  35.91635 15.31436 32.14428 14.56716 
3.772064       21.13603 
1 1 1 -22 2  13 o 44.41447 14.24715 22.62193       14.57774  1.240356       
20.09167  46.39100       21.18372  34.54240 15.09486 61.54770 16.56149 
-27.00530      22.40844 
1 1 1 -22 2  14 o 41.52028 14.19707 19.14194       14.41024  -6.714808      
19.53360  50.01653       21.34499  31.03614 14.11979 63.90213 16.35682 
-32.86599      21.60819 
1 1 1 -22 2  15 o 28.42391 12.57202 -1.629146      14.32912  4.101729       
20.08240  -7.572630      20.45152  35.50558 15.30540 31.35888 14.33657 
4.146706       20.97123 
1 1 1 -22 2  16 o 137.5475 6.613634 198.2543       18.49884  214.4619       
25.76156  181.0002       26.58025  141.0237 9.030589 128.4531 10.26132 
12.57063       13.66917 
1 1 1 -22 2  17 o 32.95284 13.91220 5.447614       15.99270  -3.636595      
22.87744  14.12975       22.36543  33.98309 15.38977 40.70280 16.75867 
-6.719704      22.75298 
1 1 1 -22 2  18 o 93.26532 9.600352 95.96666       17.94774  117.8484       
25.87559  75.67858       24.91551  100.3783 12.98056 77.24555 16.37011 
23.13277       20.89199 
1 1 1 -22 2  19 o 36.67744 14.69655 12.53684       16.66262  52.69739       
23.93518  -25.22876      23.21053  62.01749 17.95111 27.99139 13.51644 
34.02610       22.47079 
1 1 1 -22 3  2  o 73.26302 8.413109 59.89840       12.30671  68.60028       
17.49733  51.37912       17.31278  75.46368 11.78750 63.24496 13.84537 
12.21871       18.18349 
1 1 1 -22 3  3  o 43.42986 12.55862 23.25086       11.72001  24.52710       
16.42705  21.92773       16.72619  43.64099 15.14662 41.81786 15.20346 
1.823128       21.46078 
1 1 1 -22 3  4  o 25.66925 11.38763 -1.071547      11.84237  -5.980537      
16.22496  4.525222       17.32432  27.60048 12.67387 32.71844 14.15947 
-5.117952      19.00309 
1 1 1 -22 3  5  o 35.90562 13.26847 13.60398       12.81754  9.094985       
17.50375  18.81738       18.82137  35.42798 14.72730 41.35266 15.90082 
-5.924683      21.67324 
1 1 1 -22 3  6  o 66.89809 10.32937 50.08461       13.59948  41.17003       
19.02837  59.39237       19.44349  57.23286 15.82097 70.41587 14.07067 
-13.18301      21.17279 
1 1 1 -22 3  7  o 45.11526 13.26977 23.93112       12.98611  6.254284       
18.44124  41.31915       18.28997  35.18679 14.90187 58.06461 15.28194 
-22.87782      21.34487 
1 1 1 -22 3  8  o 37.12880 13.35043 14.35571       12.84970  -8.014419      
17.87972  38.25196       18.47956  29.07461 13.33368 55.96178 15.63514 
-26.88717      20.54859 
1 1 1 -22 3  9  o 92.75089 7.940952 91.49094       14.83319  95.81519       
20.83646  87.04776       21.12102  92.95789 11.25178 87.98360 12.12717 
4.974281       16.54300 
1 1 1 -22 3  10 o 85.63656 8.895878 78.83025       15.26564  84.49928       
21.10914  72.61489       22.10289  86.65517 12.32658 78.96288 14.29107 
7.692291       18.87271 
1 1 1 -22 3  11 o 100.3933 7.752792 106.6868       15.70496  89.50838       
21.93683  124.7488       22.49397  89.21385 12.42942 106.9283 10.47948 
-17.71449      16.25761 
1 1 1 -22 3  12 o 98.41994 7.963031 102.7711       15.80066  99.81605       
22.34018  105.7291       22.35085  94.66367 11.86590 97.73237 11.46391 
-3.068695      16.49911 
1 1 1 -22 3  13 o 76.72106 9.855646 64.17671       15.02074  58.24977       
21.03426  70.34436       21.45713  69.95233 15.21954 77.84733 14.07224 
-7.894997      20.72830 
1 1 1 -22 3  14 o 44.32201 14.25377 22.65059       14.58422  24.00233       
20.62785  21.29955       20.62256  46.26052 16.87387 44.64322 16.76400 
1.617310       23.78570 
1 1 1 -22 3  15 o 46.47929 14.34104 25.47050       14.90875  24.77647       
21.18627  26.15130       20.98351  46.61480 17.08588 47.40960 17.05895 
-0.7947998     24.14405 
1 1 1 -22 3  16 o 48.82339 14.38402 28.63292       15.24747  9.980548       
21.34481  48.06862       21.78840  38.59043 16.17043 61.62066 16.88676 
-23.03023      23.38045 
1 1 1 -22 3  17 o 67.05486 12.57968 52.37083       16.52335  44.71864       
23.49491  59.85931       23.24223  58.23780 18.00871 68.53059 16.80619 
-10.29279      24.63253 
1 1 1 -22 3  18 o 64.46132 13.47617 49.87296       17.09657  55.29234       
23.84157  44.13634       24.52950  64.45887 17.66446 56.92088 18.50261 
7.537991       25.58085 
1 1 1 -22 3  19 o 95.10615 9.279441 99.92962       17.71795  108.6083       
25.43871  91.75301       24.69191  95.20383 13.51962 86.39880 14.57232 
8.805023       19.87795 
1 1 1 -22 4  2  o 78.38477 7.732690 67.63226       12.16515  67.62326       
17.54512  67.64059       16.88225  74.69569 11.95383 75.24676 11.38910 
-0.5510635     16.51077 
1 1 1 -22 4  3  o 50.97740 11.86572 31.45583       12.07006  48.30131       
16.91692  13.98800       17.22659  61.90541 13.79140 36.94084 14.89329 
24.96457       20.29810 
1 1 1 -22 4  4  o 54.84287 11.34924 35.32745       12.23999  33.48502       
17.06062  37.28168       17.57057  50.83977 15.27248 53.58047 15.34317 
-2.740704      21.64859 
1 1 1 -22 4  5  o 45.29124 12.98554 24.71340       12.57861  16.81522       
17.52974  33.09645       18.05979  39.70938 15.32440 50.86551 15.79880 
-11.15614      22.00999 
1 1 1 -22 4  6  o 56.59605 11.95320 37.23041       13.32557  25.89158       
18.88518  48.47373       18.80548  46.22307 16.22920 62.75325 14.94973 
-16.53018      22.06539 
1 1 1 -22 4  7  f 27.89977 12.07165 0.9230983      12.58689  -3.390956      
17.97214  5.076245       17.63379  30.67070 13.78753 34.05195 14.50228 
-3.381252      20.01031 
1 1 1 -22 4  8  o 90.31962 7.882539 86.95054       14.33261  98.11489       
19.80948  74.68568       20.76287  94.36860 10.50079 80.50016 13.13666 
13.86844       16.81780 
1 1 1 -22 4  9  o 56.39716 13.65790 37.38438       15.49717  18.96446       
18.79742  76.47022       27.38193  42.61251 16.00430 78.27543 17.62648 
-35.66292      23.80820 
1 1 1 -22 4  10 o 54.93071 14.16288 35.65544       15.92193  30.29712       
20.05375  44.79385       26.18884  50.31181 16.74798 59.17870 19.10780 
-8.866886      25.40872 
1 1 1 -22 4  11 o 129.0617 6.573331 174.1755       17.19468  167.5250       
23.90033  181.3108       24.75613  124.7193 9.494969 129.8121 9.442831 
-5.092781      13.39110 
1 1 1 -22 4  12 o 46.24457 14.12170 24.86904       14.49927  9.747544       
20.19654  40.95115       20.82818  38.38626 15.87687 57.73751 16.75512 
-19.35125      23.08266 
1 1 1 -22 4  13 o 57.98112 12.92357 38.85450       14.84857  44.88647       
20.65291  32.40049       21.36320  60.52359 16.38080 51.73976 17.28803 
8.783825       23.81610 
1 1 1 -22 4  14 o 37.80790 14.14897 14.08835       14.66611  6.564521       
20.57304  21.86300       20.91316  36.97382 15.70354 44.99541 16.88456 
-8.021591      23.05839 
1 1 1 -22 4  15 f 34.45314 13.76093 9.288964       14.55713  -4.061817      
20.37916  23.19834       20.80112  32.44960 14.62558 45.52798 16.88729 
-13.07837      22.34028 
1 1 1 -22 4  16 o 56.16151 13.95137 37.78262       15.86202  48.65600       
21.96217  25.92570       22.93394  61.87460 16.95298 47.19211 17.68686 
14.68249       24.49956 
1 1 1 -22 4  17 o 30.55128 13.34358 1.134803       15.68129  -1.387376      
21.41466  4.050908       23.02633  33.71185 15.11003 36.69781 16.09497 
-2.985962      22.07626 
1 1 1 -22 4  18 o 58.53176 14.34860 42.23349       16.94668  -10.95414      
23.47815  100.0858       24.48606  31.82242 14.83181 91.81077 13.51993 
-59.98835      20.06916 
1 1 1 -22 4  19 o 68.16435 14.71284 58.02645       19.79634  44.41022       
23.52939  91.01910       36.62612  56.60725 18.09431 76.37663 22.23435 
-19.76937      28.66654 
1 1 1 -22 5  2  o 74.04005 8.250670 61.08720       12.21119  56.60131       
17.10107  65.75396       17.44244  67.18793 12.98632 73.41499 12.10544 
-6.227066      17.75348 
1 1 1 -22 5  3  o 83.70206 7.635078 76.40070       12.85273  72.16016       
17.77010  81.05264       18.61214  78.13690 11.53007 83.07097 11.31197 
-4.934067      16.15249 
1 1 1 -22 5  4  o 21.67807 10.20810 -9.665989      11.61300  0.9686086      
16.15152  -21.04763      16.70919  30.22778 13.35983 23.49361 11.37429 
6.734175       17.54593 
1 1 1 -22 5  5  o 26.59209 11.64481 0.1342453      12.01233  -12.39618      
16.95570  12.76060       17.02048  26.27249 12.36039 37.05354 14.85131 
-10.78106      19.32203 
1 1 1 -22 5  6  o 108.6013 6.679368 124.6098       14.67949  112.3497       
20.83971  136.6839       20.68108  100.5131 10.34336 111.9467 9.165029 
-11.43359      13.81965 
1 1 1 -22 5  7  f 49.78775 13.14732 29.38169       13.50804  31.95287       
18.91775  26.70712       19.29431  50.74826 16.22482 47.11610 16.41182 
3.632168       23.07797 
1 1 1 -22 5  8  o 27.42239 12.36436 -4.293544      14.58065  -12.99787      
18.11162  11.73707       24.57903  27.59406 12.91552 41.10285 17.29434 
-13.50879      21.58483 
1 1 1 -22 5  9  o 31.31062 13.41340 2.653474       15.24622  4.661084       
18.39474  -1.752373      27.25014  34.64138 14.78401 37.83430 16.99519 
-3.192924      22.52561 
1 1 1 -22 5  10 o 48.74265 15.06407 28.18063       16.44230  20.93106       
20.00173  43.28942       28.87528  44.24081 16.52994 57.92967 20.08301 
-13.68887      26.01088 
1 1 1 -22 5  11 o 124.3235 7.917773 163.7682       19.91321  167.4891       
24.66220  156.7983       33.75396  124.3968 9.829323 116.2736 14.59727 
8.123169       17.59818 
1 1 1 -22 5  12 o 49.70175 15.48944 29.41054       17.34296  31.50688       
21.01805  24.93802       30.69989  51.14124 17.14751 49.40129 19.89426 
1.739948       26.26440 
1 1 1 -22 5  13 o 93.33237 8.588036 93.30054       16.11677  138.5705       
22.84878  48.47347       22.73674  112.8744 10.05987 62.26783 17.32367 
50.60657       20.03274 
1 1 1 -22 5  14 o 133.9541 6.453063 187.3474       17.57815  195.3854       
24.61913  178.9881       25.10656  134.8663 9.028867 128.5549 9.674823 
6.311386       13.23339 
1 1 1 -22 5  15 f 34.75823 13.88753 9.573178       14.83176  -14.31628      
20.37052  36.52626       21.63731  29.12733 13.65357 53.92377 17.36369 
-24.79645      22.08886 
1 1 1 -22 5  16 o 130.3335 6.969401 179.3043       18.40462  209.3823       
26.06558  149.3988       25.99069  138.9408 9.278778 115.6412 11.19235 
23.29958       14.53838 
1 1 1 -22 5  17 o 69.94090 12.03683 56.46423       16.50216  67.31353       
23.39099  45.71347       23.28453  73.21143 16.14543 58.73463 17.88675 
14.47680       24.09587 
1 1 1 -22 5  18 o 30.29547 14.23451 -13.54349      22.36297  -13.54349      
22.36297  0.000000       0.000000  30.29547 14.23451 ?        ?        
0.000000       14.23451 
1 1 1 -22 5  19 o 25.76265 12.39859 -20.81661      19.14519  -31.35916      
22.53106  6.567966       36.31298  26.18411 12.79542 42.12397 19.19795 
-15.93986      23.07129 
1 1 1 -22 6  2  o 64.44948 9.572811 47.86387       12.16497  46.56777       
16.76171  49.30637       17.68296  59.64398 14.05089 60.99958 14.47326 
-1.355606      20.17183 
1 1 1 -22 6  3  o 16.86683 8.403454 -26.18817      11.50196  -25.69717      
15.32547  -26.82144      17.40465  20.93369 10.29549 22.58060 11.07838 
-1.646912      15.12375 
1 1 1 -22 6  4  o 71.10892 9.036091 56.32683       12.77136  64.68110       
17.66092  47.16931       18.49047  73.81223 12.19180 60.43874 15.09066 
13.37349       19.40020 
1 1 1 -22 6  5  o 63.90107 10.23874 46.25485       12.85550  39.36631       
17.99686  53.43175       18.36970  55.42316 15.41010 65.92529 14.12739 
-10.50214      20.90584 
1 1 1 -22 6  6  o 46.81909 14.29458 26.75314       14.85742  31.93443       
18.40748  17.06809       25.16670  50.25610 15.99787 42.71229 17.69925 
7.543816       23.85782 
1 1 1 -22 6  7  o 72.10104 11.38258 58.94049       16.13533  62.61330       
19.76630  51.60520       27.93410  72.62160 13.89086 61.41016 19.72439 
11.21143       24.12483 
1 1 1 -22 6  8  o 32.45833 13.47167 6.005356       14.61346  2.992401       
17.76244  12.31649       25.70750  33.24268 14.36190 41.74724 17.63259 
-8.504559      22.74142 
1 1 1 -22 6  9  o 59.17741 13.50245 41.14354       15.88984  41.87611       
19.05134  39.46914       28.80244  58.49363 15.69159 55.47565 19.98347 
3.017979       25.40797 
1 1 1 -22 6  10 o 32.14542 13.72085 3.310652       15.84852  8.139903       
19.26091  -6.813882      27.88845  36.88246 15.40012 36.74403 16.77634 
0.1384277      22.77300 
1 1 1 -22 6  11 o 42.11186 15.17590 19.21479       16.61264  -4.966427      
19.94271  74.03635       30.02761  31.94100 14.42556 75.48546 19.44295 
-43.54446      24.21002 
1 1 1 -22 6  12 o 47.50799 15.17178 26.61099       16.54535  36.91159       
20.19769  5.598869       28.84730  54.79955 16.65244 41.21439 18.04686 
13.58516       24.55591 
1 1 1 -22 6  13 o 122.3535 7.878978 158.8088       19.49945  180.7976       
24.14779  117.5999       33.05770  129.6040 9.222540 97.96048 17.22345 
31.64357       19.53721 
1 1 1 -22 6  14 o 37.36607 14.15560 13.52053       14.77849  20.79604       
20.50306  5.653100       21.32080  44.08731 16.68018 36.90578 15.83760 
7.181530       23.00126 
1 1 1 -22 6  15 o 52.56312 14.06359 33.09350       15.32723  19.02147       
21.34099  48.08513       22.02726  43.13393 16.83478 61.61164 17.01825 
-18.47771      23.93806 
1 1 1 -22 6  16 o 122.7250 7.207598 159.5706       17.90873  166.1772       
24.80244  152.3743       25.88582  123.0045 10.00230 116.8409 11.02504 
6.163559       14.88615 
1 1 1 -22 6  17 o 72.27929 11.94610 60.25390       16.94525  65.87834       
23.69841  54.36987       24.23915  71.90562 16.55022 63.91586 17.92409 
7.989761       24.39636 
1 1 1 -22 6  18 o 66.15974 12.90731 52.13226       16.74172  59.96095       
22.98757  43.28951       24.43103  67.72713 16.77757 56.02759 18.47781 
11.69955       24.95829 
1 1 1 -22 6  19 o 30.62178 13.86572 -2.724889      18.56362  6.760420       
22.20079  -24.77104      33.84613  36.42246 15.89321 34.25577 16.48583 
2.166687       22.89928 
1 1 1 -22 7  2  o 26.21883 11.95620 -2.956603      14.11052  -7.045792      
16.58461  7.764485       26.85382  26.71291 12.45548 36.84722 16.68144 
-10.13431      20.81849 
1 1 1 -22 7  3  o 49.14473 11.92395 29.56790       11.79512  43.54451       
16.16393  13.64866       17.25071  58.32703 13.83664 36.47868 14.83345 
21.84835       20.28507 
1 1 1 -22 7  4  o 30.02804 12.22073 6.895612       11.72143  -9.628593      
16.44804  23.94678       16.70824  26.36181 12.32900 43.43844 15.26441 
-17.07664      19.62158 
1 1 1 -22 7  5  f 27.12357 11.87797 0.4392176      12.49919  -7.044584      
17.21766  8.777620       18.17416  28.12773 12.96736 35.34289 14.87107 
-7.215164      19.73072 
1 1 1 -22 7  6  o 100.7404 8.352670 109.8521       16.95686  107.5100       
20.38977  115.1049       30.53519  98.07712 10.38115 95.73778 16.26633 
2.339340       19.29668 
1 1 1 -22 7  7  o 44.42277 14.59917 23.53596       15.25589  51.69593       
19.18222  -24.93485      25.16651  65.03573 14.83285 29.87917 14.33695 
35.15656       20.62914 
1 1 1 -22 7  8  o 29.74497 12.52363 3.725852       12.90261  27.89746       
17.44298  -25.48030      19.17366  47.98603 15.60289 25.17751 12.18826 
22.80851       19.79909 
1 1 1 -22 7  9  o 22.92848 10.78090 -11.28940      12.86730  -8.389238      
17.23832  -14.93834      19.33601  28.32172 13.02669 28.08858 13.20995 
0.2331429      18.55256 
1 1 1 -22 7  10 o 108.7702 7.232840 124.9091       15.90697  131.5350       
21.78402  117.3404       23.28237  109.9376 9.848456 102.7199 11.33483 
7.217636       15.01568 
1 1 1 -22 7  11 o 74.41489 10.61646 61.30867       15.60993  57.10530       
21.22528  66.26041       23.03743  68.73465 15.54904 74.01771 15.78712 
-5.283058      22.15865 
1 1 1 -22 7  12 o 144.4288 7.327221 219.9325       21.44964  221.8129       
26.58447  216.4249       36.30867  143.6322 9.149380 138.0554 13.08962 
5.576828       15.97027 
1 1 1 -22 7  13 o 42.11428 14.76478 19.76588       15.62806  15.89502       
19.44780  26.82215       26.25756  40.94312 16.04547 48.78796 18.77566 
-7.844849      24.69782 
1 1 1 -22 7  14 o 155.3705 6.763097 253.0790       21.36809  232.0017       
26.28493  294.1532       36.69309  146.9821 8.835121 163.0737 11.13144 
-16.09160      14.21156 
1 1 1 -22 7  15 o 58.15101 17.74885 43.68563       22.90815  0.000000       
0.000000  43.68563       22.90815  ?        ?        58.15101 17.74885 
0.000000       17.74885 
1 1 1 -22 7  16 o 118.1858 7.697166 149.0188       18.39804  137.2620       
25.32342  162.1617       26.77470  110.3492 11.45176 120.3921 11.06009 
-10.04283      15.92070 
1 1 1 -22 7  17 f 30.98244 13.46287 2.200224       15.78955  10.55911       
21.83183  -6.967326      22.86349  38.45793 16.24655 32.63438 15.00734 
5.823551       22.11720 
1 1 1 -22 7  18 o 66.67767 15.28603 56.16777       20.28390  52.99991       
24.04724  63.98019       37.76377  62.21804 17.98843 62.72082 22.83816 
-0.5027771     29.07172 
1 1 1 -22 7  19 o 121.2958 7.931267 159.3624       19.45547  184.6249       
27.33172  133.4138       27.70037  127.5659 10.63300 105.4843 13.20276 
22.08159       16.95210 
1 1 1 -22 8  2  o 58.65076 12.18666 42.86130       14.06013  38.88766       
16.71180  52.48835       26.01210  53.21646 14.86865 56.43727 19.07547 
-3.220810      24.18575 
1 1 1 -22 8  3  o 31.31735 12.37214 9.377046       11.64830  5.477768       
15.98773  13.78870       17.00573  31.56684 13.63174 36.34546 14.74681 
-4.778618      20.08215 
1 1 1 -22 8  4  o 55.92670 11.24308 36.97817       12.34322  36.02634       
17.07774  38.01925       17.86045  52.27574 15.17228 53.43888 15.51786 
-1.163143      21.70258 
1 1 1 -22 8  5  o 30.04913 12.93676 3.320195       14.31048  -6.557896      
17.69812  21.97612       24.32199  28.60822 13.17357 43.72362 17.67247 
-15.11540      22.04221 
1 1 1 -22 8  6  o 35.72198 13.97799 12.18770       14.74173  12.70094       
17.87123  11.09486       26.07778  37.48223 15.14907 40.31518 17.40969 
-2.832947      23.07794 
1 1 1 -22 8  7  o 94.30092 7.476650 94.94084       14.22000  111.1276       
20.63977  80.31522       19.61926  100.0197 10.29474 83.77974 11.84606 
16.24000       15.69429 
1 1 1 -22 8  8  o 66.39545 10.51129 49.35202       13.71945  48.03204       
19.33672  50.69003       19.46842  62.44298 15.33901 64.34097 15.13322 
-1.897987      21.54762 
1 1 1 -22 8  9  o 71.10825 10.32578 56.11237       14.49468  59.78807       
19.62403  51.69970       21.50152  71.05275 14.07947 64.35012 16.38707 
6.702629       21.60480 
1 1 1 -22 8  10 o 117.1779 6.775958 144.3816       16.07720  142.8167       
21.79222  146.2506       23.81543  114.8017 9.417671 115.5405 10.24231 
-0.7387619     13.91393 
1 1 1 -22 8  11 o 37.10004 13.97364 13.45898       14.34975  12.47366       
19.13721  14.72454       21.68867  38.88923 15.69093 41.24161 16.68168 
-2.352375      22.90161 
1 1 1 -22 8  12 o 20.38857 9.989303 -24.65999      14.00110  -37.76347      
19.20702  -9.801696      20.45273  22.83311 11.28553 30.59485 14.11469 
-7.761740      18.07174 
1 1 1 -22 8  13 o 53.75623 14.80053 34.91723       16.69177  60.03754       
20.59635  -13.15404      28.49184  70.86088 14.77202 35.20807 16.38608 
35.65281       22.06164 
1 1 1 -22 8  14 o 35.54654 14.52756 9.128221       16.65209  3.997406       
20.51559  19.03604       28.50886  35.52028 15.39023 45.50079 18.84492 
-9.980507      24.33085 
1 1 1 -22 8  15 o 79.55161 9.827495 69.74310       15.56003  78.62926       
21.51956  60.00694       22.52528  82.02248 13.36180 69.26213 16.26946 
12.76035       21.05310 
1 1 1 -22 8  16 o 44.43695 14.68492 23.68385       15.42778  27.79443       
21.45530  19.28293       22.20010  47.56272 17.23027 42.97076 17.04704 
4.591957       24.23806 
1 1 1 -22 8  17 o 43.16281 15.99400 21.82725       18.64948  0.9184653      
21.76265  79.62985       36.18437  34.44400 15.34973 71.88075 22.36896 
-37.43675      27.12903 
1 1 1 -22 8  18 o 40.60788 15.86031 18.07328       18.95237  20.64663       
22.38214  11.55328       35.62676  42.86796 17.08185 43.34359 19.45384 
-0.4756241     25.88902 
1 1 1 -22 8  19 o 33.10789 14.60679 3.002438       19.22340  5.154271       
22.18505  -3.481610      38.51050  35.59143 15.69765 40.06918 18.77956 
-4.477745      24.47627 
1 1 1 -22 9  3  o 52.20237 13.44949 35.06775       14.36569  18.79662       
16.47445  86.70068       29.34711  39.05499 14.90973 75.58938 19.08797 
-36.53439      24.22087 
1 1 1 -22 9  4  o 66.19288 11.08231 51.41892       14.39004  59.62810       
17.66867  35.24607       24.79974  69.78040 12.92749 49.31838 18.41020 
20.46202       22.49568 
1 1 1 -22 9  5  o 36.88586 13.71697 15.08610       13.74151  10.94055       
17.10784  22.62395       23.06897  35.66188 14.66708 43.57006 17.34815 
-7.908180      22.71743 
1 1 1 -22 9  6  o 53.03648 12.90842 33.96495       13.79042  25.38627       
18.87880  43.77921       20.19263  45.21291 16.19007 57.75706 16.41705 
-12.54416      23.05727 
1 1 1 -22 9  7  o 56.24065 12.09709 37.06343       13.42442  40.81201       
18.57862  32.96794       19.41926  56.79358 15.60556 50.78570 16.45976 
6.007877       22.68165 
1 1 1 -22 9  8  o 32.07169 12.84509 7.918542       12.72233  5.777807       
17.22717  10.48674       18.86889  33.93094 14.38834 37.24826 15.37129 
-3.317318      21.05471 
1 1 1 -22 9  9  o 67.50896 10.77946 51.15816       14.30045  59.89734       
19.60964  41.23129       20.89972  70.96317 14.08591 56.95599 16.85724 
14.00718       21.96769 
1 1 1 -22 9  10 f 81.52079 9.255682 72.36597       15.07165  83.59843       
20.61999  59.48146       22.08436  85.74797 12.16654 69.47861 15.96590 
16.26936       20.07323 
1 1 1 -22 9  11 o 50.85118 15.07749 31.35545       16.70841  37.99137       
19.54837  13.36388       32.18806  55.26930 16.28790 44.80292 19.34488 
10.46638       25.28873 
1 1 1 -22 9  12 f 116.6721 8.116672 145.2920       19.13744  141.4877       
22.59926  154.9349       35.98048  113.8672 9.857100 113.2269 16.07830 
0.6403580      18.85933 
1 1 1 -22 9  13 o 86.63306 10.39115 82.97051       17.94096  78.10484       
21.01682  96.04044       34.44547  82.24876 12.99754 84.50648 20.29866 
-2.257721      24.10335 
1 1 1 -22 9  14 o 99.59866 11.57191 111.7144       23.00060  111.7144       
23.00060  0.000000       0.000000  99.59866 11.57191 ?        ?        
0.000000       11.57191 
1 1 1 -22 9  15 o 43.63155 15.47988 22.21475       17.22084  16.74867       
20.34417  36.03076       32.34398  41.16276 16.32236 52.78095 20.69037 
-11.61819      26.35357 
1 1 1 -22 9  16 o 69.65146 12.05645 56.21277       16.45829  80.24194       
22.83406  30.23112       23.74364  81.62017 14.27731 48.91646 18.06243 
32.70371       23.02374 
1 1 1 -22 9  17 o 98.81540 10.43533 109.6599       20.65204  120.3886       
24.54279  83.63725       38.22308  102.0160 12.06412 72.29092 23.05735 
29.72504       26.02277 
1 1 1 -22 9  18 o 67.35104 14.87426 57.18707       19.82786  56.32320       
23.46313  59.34514       37.08469  64.28863 17.48480 60.05607 22.49435 
4.232559       28.49059 
1 1 1 -22 9  19 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -22 10 3  o 59.04553 12.88134 43.97707       15.03168  46.29086       
17.55562  37.62070       29.09779  58.81095 14.71531 48.39191 19.41027 
10.41904       24.35773 
1 1 1 -22 10 4  f 29.18480 13.03555 0.1224720      15.79112  0.1224720      
15.79112  0.000000       0.000000  29.18480 13.03555 ?        ?        
0.000000       13.03555 
1 1 1 -22 10 5  o 52.09441 12.61395 33.14979       13.22018  35.72754       
18.10489  30.20547       19.34941  51.83932 15.76909 47.58354 16.44311 
4.255775       22.78245 
1 1 1 -22 10 6  f 37.59756 13.40260 16.05823       12.92378  29.02221       
18.60645  3.973461       17.96443  47.45456 16.13270 32.97310 14.34407 
14.48146       21.58741 
1 1 1 -22 10 7  f 102.8353 8.123327 114.1978       16.84911  118.6939       
20.56550  105.0182       29.38563  103.4218 9.899526 90.96967 16.49230 
12.45211       19.23529 
1 1 1 -22 10 8  o 23.91324 11.31926 -13.40164      14.62070  -18.44169      
17.12234  0.1657790      28.09274  24.88176 11.90898 37.98954 17.14260 
-13.10778      20.87325 
1 1 1 -22 10 9  o 109.0256 7.885318 127.1114       17.36438  118.3475       
20.66017  148.1973       32.04656  103.7231 9.915877 111.7316 14.44241 
-8.008499      17.51879 
1 1 1 -22 10 10 o 91.31114 8.520114 89.91452       15.63777  100.3436       
21.86581  78.99580       22.37320  94.27171 11.65418 81.82508 13.94598 
12.44663       18.17444 
1 1 1 -22 10 11 o 107.8737 7.290313 123.3279       15.89851  122.5103       
21.06556  124.4100       24.23361  105.7308 9.913355 105.2729 11.50752 
0.4579239      15.18873 
1 1 1 -22 10 12 o 32.48499 13.37485 6.635738       14.24509  -1.407351      
19.20971  16.46245       21.23311  32.38156 14.42666 41.62198 16.62115 
-9.240421      22.00889 
1 1 1 -22 10 13 o 57.87510 12.61406 39.14251       14.42642  46.28000       
19.79939  31.06466       21.06332  60.97550 15.82891 49.99723 17.16280 
10.97827       23.34772 
1 1 1 -22 10 14 o 28.72067 12.74981 -1.485933      14.86890  7.460097       
21.30066  -9.987813      20.76517  37.19398 15.89207 30.47514 14.11641 
6.718845       21.25632 
1 1 1 -22 10 15 f 55.55921 15.27162 38.57350       17.78844  39.93056       
21.66766  35.76796       31.15448  55.29152 17.32672 52.26439 20.35650 
3.027134       26.73205 
1 1 1 -22 10 16 f 94.54475 9.198331 98.13604       17.46078  88.56124       
22.94705  111.3039       26.91033  86.28367 13.52249 96.20216 14.18103 
-9.918495      19.59488 
1 1 1 -22 10 17 o 121.2235 8.926825 160.9795       21.85087  171.4241       
26.23898  137.3475       39.46845  123.3817 10.55964 98.47216 20.38151 
24.90958       22.95456 
1 1 1 -22 10 18 f 63.73962 13.15959 49.45022       16.49185  37.97906       
23.05542  61.46979       23.60011  52.19712 17.95389 67.37997 17.17333 
-15.18285      24.84483 
1 1 1 -22 11 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -22 11 4  o 26.18689 12.20854 -7.849304      15.92488  -7.849304      
15.92488  0.000000       0.000000  26.18689 12.20854 ?        ?        
0.000000       12.20854 
1 1 1 -22 11 5  o 44.43911 14.38337 25.23416       14.83261  48.48750       
17.59615  -31.85127      27.57005  61.70705 14.30199 29.09680 14.20479 
32.61025       20.15745 
1 1 1 -22 11 6  o 35.53788 13.33352 13.48896       13.04059  8.926672       
17.98769  18.54335       18.93295  35.13860 14.79035 40.61846 15.85558 
-5.479858      21.68303 
1 1 1 -22 11 7  o 38.63972 13.19484 17.30124       12.44734  15.31365       
17.32543  19.42160       17.89478  38.61246 15.14118 41.27997 15.59151 
-2.667507      21.73362 
1 1 1 -22 11 8  o 32.93982 13.18520 8.869266       13.39655  30.61762       
18.78132  -13.65694      19.11423  49.13973 16.20078 27.85579 13.11085 
21.28394       20.84130 
1 1 1 -22 11 9  o 87.27248 10.67904 85.32931       18.55685  94.80965       
32.47431  80.73270       22.61240  83.75705 19.44075 82.26553 14.01958 
1.491524       23.96855 
1 1 1 -22 11 10 o 51.41081 15.13089 32.64121       16.87960  20.64165       
29.90705  38.25050       20.44773  46.03565 19.20322 54.69548 16.78169 
-8.659824      25.50272 
1 1 1 -22 11 11 o 76.34319 10.07395 64.60072       15.25746  58.09492       
21.45797  71.25330       21.69866  68.45924 15.74232 77.18766 14.35226 
-8.728424      21.30277 
1 1 1 -22 11 12 o 47.38537 14.06619 27.01895       14.53591  18.23699       
19.96060  36.93471       21.21000  41.92922 16.30435 53.72075 17.18018 
-11.79153      23.68524 
1 1 1 -22 11 13 o 50.46322 14.12126 30.88914       15.06175  50.22168       
20.64834  8.905364       22.01870  63.19068 16.04064 38.15623 16.22674 
25.03444       22.81686 
1 1 1 -22 11 14 o 34.94738 13.75665 10.90525       14.35295  24.72602       
19.43960  -5.658661      21.28151  45.45089 16.41078 32.09952 14.65549 
13.35137       22.00220 
1 1 1 -22 11 15 o 49.97034 17.87938 32.27354       23.01970  0.000000       
0.000000  32.27354       23.01970  ?        ?        49.97034 17.87938 
0.000000       17.87938 
1 1 1 -22 11 16 o 37.23426 16.73690 1.963651       26.47808  1.963651       
26.47808  0.000000       0.000000  37.23426 16.73690 ?        ?        
0.000000       16.73690 
1 1 1 -22 11 17 o 70.10639 13.92695 60.33817       19.15491  88.43555       
30.71346  42.45284       24.50442  79.20068 19.25652 54.86662 18.51455 
24.33406       26.71334 
1 1 1 -22 11 18 o 83.93269 11.43184 82.04401       19.00428  79.34467       
30.00209  83.85286       24.55972  73.42713 19.68896 80.82684 15.50630 
-7.399712      25.06194 
1 1 1 -22 12 3  o 40.86560 13.72270 21.99963       13.46095  36.32354       
16.81858  -3.529282      22.45300  50.95208 15.13162 31.35554 14.57747 
19.59655       21.01115 
1 1 1 -22 12 4  o 25.28094 11.58932 -4.299675      13.48928  -5.000132      
15.71325  -2.337183      26.30143  26.89352 12.39470 34.11041 15.83095 
-7.216888      20.10591 
1 1 1 -22 12 5  o 98.97984 7.802890 106.9547       15.57820  85.82995       
18.36606  161.1286       29.41136  86.06655 10.72654 115.4475 12.74014 
-29.38097      16.65443 
1 1 1 -22 12 6  o 21.40242 10.24236 -13.82643      12.65610  7.748928       
17.18977  -39.36662      18.70264  33.95606 14.38437 21.58553 10.74810 
12.37053       17.95639 
1 1 1 -22 12 7  o 92.19083 9.275986 94.11820       17.15387  63.56088       
32.11216  106.3196       20.29163  64.10760 21.18632 96.99326 10.45298 
-32.88565      23.62467 
1 1 1 -22 12 8  o 40.05231 14.83668 18.08438       16.04564  7.644115       
29.09477  22.64768       19.23528  40.27208 17.85839 43.63210 16.22831 
-3.360012      24.13048 
1 1 1 -22 12 9  o 99.69234 9.446725 109.3180       18.92260  111.6321       
34.27345  108.3034       22.69513  91.05590 19.11840 97.33422 11.70054 
-6.278320      22.41463 
1 1 1 -22 12 10 o 91.92320 9.915112 93.51360       18.24079  126.3771       
34.10196  80.34286       21.58874  99.33749 17.52208 82.58094 13.30798 
16.75655       22.00285 
1 1 1 -22 12 11 o 95.26495 12.68088 105.0868       23.95573  0.000000       
0.000000  105.0868       23.95573  ?        ?        95.26495 12.68088 
0.000000       12.68088 
1 1 1 -22 12 12 o 85.85502 13.83381 87.45989       23.33164  0.000000       
0.000000  87.45989       23.33164  ?        ?        85.85502 13.83381 
0.000000       13.83381 
1 1 1 -22 12 13 o 26.58122 12.35132 -9.545323      16.08488  -27.35456      
25.58471  2.094477       20.68381  29.54273 14.24677 34.41966 15.17024 
-4.876926      20.81122 
1 1 1 -22 12 14 o 71.32591 11.41637 58.27610       16.00025  83.64838       
22.71100  33.27238       22.54545  83.66766 13.83164 50.59330 17.73409 
33.07436       22.49027 
1 1 1 -22 12 15 o 50.99096 15.91543 33.36999       18.30217  45.18902       
21.43788  1.599625       35.14811  58.40387 17.01302 40.99802 18.76238 
17.40585       25.32725 
1 1 1 -22 12 16 o 89.04568 14.29941 96.94073       25.01670  96.94073       
25.01670  0.000000       0.000000  89.04568 14.29941 ?        ?        
0.000000       14.29941 
1 1 1 -22 12 17 o 62.20550 13.79351 47.94736       16.99091  62.95325       
24.02527  32.93274       24.03227  68.02669 17.32145 49.07504 18.16175 
18.95165       25.09744 
1 1 1 -22 12 18 o 86.60151 9.933638 84.97148       17.17740  74.10322       
24.01433  96.35835       24.58059  74.74685 16.26140 87.89244 14.23992 
-13.14559      21.61501 
1 1 1 -22 13 3  o 19.44188 9.415052 -14.55768      11.46672  -18.30681      
15.14435  -9.520595      17.55395  22.08079 10.72266 26.41407 12.47239 
-4.333275      16.44798 
1 1 1 -22 13 4  o 25.37641 11.22097 0.2846185      11.40711  0.1245636E-01  
15.90225  0.5731034      16.37218  28.82873 12.96347 29.37852 13.18670 
-0.5497837     18.49164 
1 1 1 -22 13 5  o 36.71321 13.85150 15.59104       14.11378  11.99120       
16.67703  24.67670       26.49450  35.34005 14.50172 43.72289 18.14255 
-8.382839      23.22610 
1 1 1 -22 13 6  o 35.46573 15.86499 3.931056       23.48514  0.000000       
0.000000  3.931056       23.48514  ?        ?        35.46573 15.86499 
0.000000       15.86499 
1 1 1 -22 13 7  o 55.92926 16.52023 42.09614       20.08966  0.000000       
0.000000  42.09614       20.08966  ?        ?        55.92926 16.52023 
0.000000       16.52023 
1 1 1 -22 13 8  o 36.28909 15.21303 9.922753       18.90610  0.000000       
0.000000  9.922753       18.90610  ?        ?        36.28909 15.21303 
0.000000       15.21303 
1 1 1 -22 13 9  o 100.1376 9.105453 110.0913       18.33911  115.7629       
32.22478  107.3745       22.30307  94.26425 17.45372 96.77777 11.56169 
-2.513519      20.93573 
1 1 1 -22 13 10 o 72.77477 12.24245 61.72013       17.47440  88.11503       
33.21220  51.61628       20.54856  78.54855 20.55461 63.62391 15.92074 
14.92465       25.99927 
1 1 1 -22 13 11 o 26.80498 12.54004 -11.28881      17.03790  -39.28317      
30.50242  1.406699       20.54112  30.46140 14.88608 33.94648 15.03168 
-3.485088      21.15530 
1 1 1 -22 13 12 o 44.74919 15.59609 24.29026       17.42515  23.08466       
31.99559  24.79863       20.77666  46.86470 19.72593 45.41605 16.87110 
1.448643       25.95662 
1 1 1 -22 13 13 o 100.5676 9.776475 111.9574       19.74092  86.20328       
34.93370  124.0399       23.92766  76.28685 21.56188 104.3568 11.46422 
-28.06992      24.42013 
1 1 1 -22 13 14 o 38.93431 15.04869 15.91914       16.92513  12.95654       
20.42651  22.40832       30.23096  38.69509 15.98275 45.84116 19.22829 
-7.146069      25.00351 
1 1 1 -22 13 15 o 28.84582 13.18186 -5.217328      17.26585  -16.56351      
20.30612  24.39338       32.80398  27.80907 13.21426 46.72522 19.83661 
-18.91615      23.83501 
1 1 1 -22 13 16 o 130.6110 7.216687 182.7051       19.09330  203.3741       
26.20029  159.2974       27.88212  135.2578 9.587726 117.0310 11.88054 
18.22684       15.26669 
1 1 1 -22 13 17 o 51.87895 15.72704 35.76141       18.03105  64.45412       
22.62741  -14.15562      29.84513  69.70488 16.26105 33.96813 16.10572 
35.73675       22.88702 
1 1 1 -22 13 18 o 103.8474 8.476213 118.9479       17.74372  109.9807       
24.63398  128.6167       25.57956  94.98465 13.10229 103.6602 12.37962 
-8.675514      18.02568 
1 1 1 -22 14 4  o 29.81100 12.33750 7.193214       12.20611  -0.6759529     
17.56798  14.53716       16.97157  29.51308 13.41284 36.13706 14.70582 
-6.623981      19.90390 
1 1 1 -22 14 5  f 102.9683 8.185337 117.3024       16.99780  185.3291       
33.40857  93.54215       19.74437  121.1873 13.80282 88.91041 11.16676 
32.27685       17.75427 
1 1 1 -22 14 6  o 66.59189 15.85458 59.41124       21.16108  39.09797       
31.57543  75.97320       28.51118  50.19271 20.18897 71.21682 19.23461 
-21.02411      27.88485 
1 1 1 -22 14 7  o 42.02607 16.31884 21.29987       19.97416  27.30210       
30.00200  16.52150       26.76909  46.22078 19.25309 41.43646 17.76303 
4.784321       26.19555 
1 1 1 -22 14 8  o 56.03135 13.47190 38.75502       15.16118  35.44004       
17.95195  47.00064       28.31279  52.00262 15.67640 56.13836 19.85601 
-4.135735      25.29843 
1 1 1 -22 14 9  o 33.96927 13.25178 10.97967       13.21888  -2.324694      
17.97567  26.64684       19.50668  30.42457 13.72231 45.85822 16.45329 
-15.43365      21.42457 
1 1 1 -22 14 10 o 55.35424 13.04193 37.03841       14.43947  49.29213       
19.82860  23.20397       21.06876  61.98044 15.71115 44.13226 16.85793 
17.84819       23.04409 
1 1 1 -22 14 11 o 83.47079 8.855522 76.41325       14.80185  88.00010       
20.75620  64.42308       21.11434  87.10649 12.03966 72.02595 14.90699 
15.08054       19.16172 
1 1 1 -22 14 12 o 35.90936 14.77318 10.36254       17.36252  42.26915       
30.20530  -5.382159      21.21827  54.39803 20.31555 31.81959 14.56776 
22.57844       24.99883 
1 1 1 -22 14 13 o 59.07053 17.43600 47.04332       22.38552  42.40705       
33.40220  50.82351       30.16111  54.06338 21.07225 58.60249 20.51343 
-4.539116      29.40817 
1 1 1 -22 14 14 o 75.61671 16.07255 73.44569       23.95313  102.8640       
36.60921  51.42450       31.67391  82.80684 21.53734 58.16488 20.95555 
24.64196       30.04982 
1 1 1 -22 14 15 o 28.19485 13.03535 -7.458734      17.58301  -9.535310      
21.18785  -2.865251      31.51259  30.24578 14.09458 37.75612 17.45409 
-7.510344      22.43440 
1 1 1 -22 14 16 o 79.93576 10.08166 72.46046       16.02346  79.64992       
22.74353  65.37493       22.57857  79.70931 14.56812 70.48803 16.10425 
9.221283       21.71583 
1 1 1 -22 14 17 f 70.80993 13.16183 61.52670       18.25468  62.55789       
22.38826  59.48132       31.53107  68.18193 16.35698 60.34281 20.98248 
7.839123       26.60480 
1 1 1 -22 15 4  o 77.04710 8.011351 66.39226       12.36847  57.91620       
17.03551  75.84108       17.98652  67.37214 12.90423 78.78480 11.57153 
-11.41266      17.33261 
1 1 1 -22 15 5  o 31.96011 13.29668 8.618866       14.28509  -0.8903091     
28.92733  11.68572       16.42794  35.30398 16.45744 34.61512 14.31830 
0.6888618      21.81424 
1 1 1 -22 15 6  o 50.10985 12.64545 31.42258       12.88599  22.07272       
18.19943  40.82218       18.24777  41.48316 15.71034 54.60722 15.63572 
-13.12406      22.16507 
1 1 1 -22 15 7  o 117.4503 7.459460 149.4074       17.72370  138.1172       
21.10378  176.4311       32.64991  110.8954 9.448362 119.5861 13.67181 
-8.690674      16.61897 
1 1 1 -22 15 8  o 33.24218 13.57967 9.240352       14.54174  13.26621       
17.69505  0.8655573      25.52169  36.98612 15.02967 35.63457 16.18391 
1.351551       22.08642 
1 1 1 -22 15 9  o 87.19284 9.568354 85.00942       16.68678  77.91043       
19.66456  103.2706       31.53914  81.16190 12.30009 86.53114 18.48501 
-5.369240      22.20333 
1 1 1 -22 15 10 o 76.21468 10.71174 66.35369       16.14333  67.97495       
19.26311  62.52868       29.58807  75.25153 13.06182 64.62152 20.24687 
10.63001       24.09454 
1 1 1 -22 15 11 o 57.44046 14.45719 41.44129       16.87443  33.09361       
19.90002  62.80452       31.83495  50.03933 16.68492 63.87705 21.09393 
-13.83773      26.89499 
1 1 1 -22 15 12 o 70.79391 12.48887 59.40233       17.32204  70.75851       
21.46778  38.21333       29.32421  75.62906 14.48623 51.95237 19.87804 
23.67669       24.59649 
1 1 1 -22 15 13 o 45.68242 17.51707 26.22850       22.80284  -6.519449      
32.85473  56.66466       31.67385  37.55878 17.51877 60.51097 21.03055 
-22.95219      27.37136 
1 1 1 -22 15 14 o 33.10541 15.14396 -3.492014      22.86488  -1.484418      
34.35759  -5.087986      30.63354  39.16814 18.14836 36.73132 17.06023 
2.436821       24.90812 
1 1 1 -22 15 15 o 40.88682 14.65212 20.29642       15.46524  18.37942       
20.89309  22.61971       23.00082  40.79692 16.41804 43.37391 17.30598 
-2.576992      23.85474 
1 1 1 -22 15 16 o 71.88634 11.44238 60.77365       16.16618  73.85732       
22.36465  46.45668       23.39499  75.87796 15.02578 56.68558 18.03446 
19.19238       23.47373 
1 1 1 -22 15 17 o 57.02789 15.22789 43.28077       17.99186  66.51958       
22.56425  2.714358       29.81242  70.28927 16.12848 37.48978 17.20193 
32.79949       23.58038 
1 1 1 -22 16 5  o 57.18867 13.50620 42.69672       15.45627  30.98408       
30.72609  46.66457       17.88369  44.83529 19.12021 58.26542 15.00333 
-13.43013      24.30396 
1 1 1 -22 16 6  o 99.72449 6.914717 107.6681       13.93597  101.7619       
18.99370  114.5552       20.51044  93.79662 10.11819 99.33894 10.30306 
-5.542320      14.44060 
1 1 1 -22 16 7  o 34.61681 12.80331 13.52424       11.93973  20.93132       
15.86755  3.856470       18.12798  40.70272 14.80655 32.19575 14.19545 
8.506969       20.51206 
1 1 1 -22 16 8  o 48.36547 14.34643 30.30650       15.12508  27.40714       
17.90025  37.54351       28.28055  45.45388 15.80922 50.08923 19.42668 
-4.635349      25.04650 
1 1 1 -22 16 9  o 28.92966 12.78267 0.7370041      14.77644  1.163401       
17.53518  -0.3074374     27.44387  31.11321 13.82725 36.13270 16.55167 
-5.019491      21.56736 
1 1 1 -22 16 10 o 31.59137 13.32183 6.104191       14.63658  12.97455       
17.19670  -11.95577      27.88136  36.71867 14.85343 33.52056 15.79457 
3.198112       21.68163 
1 1 1 -22 16 11 o 29.82080 13.16609 0.9320157      15.64608  -8.313554      
18.41605  24.92027       29.66394  28.48570 13.22956 45.64737 19.09023 
-17.16167      23.22624 
1 1 1 -22 16 12 o 38.28061 14.89946 15.83539       16.68093  20.94069       
20.19695  4.879560       29.58677  42.13406 16.39598 38.85209 17.55657 
3.281967       24.02210 
1 1 1 -22 16 13 o 37.21731 14.24661 15.06301       15.06695  11.89495       
20.24821  18.99352       22.55349  37.45738 15.72536 41.57487 16.93945 
-4.117485      23.11346 
1 1 1 -22 16 14 o 31.59889 14.12726 0.5120392      18.59414  17.07776       
34.28182  -6.392671      22.13255  43.58427 19.35331 31.54849 14.59956 
12.03578       24.24247 
1 1 1 -22 16 15 o 48.50495 16.15551 31.80231       18.65907  39.88057       
34.58015  28.48418       22.16229  50.84264 20.87481 45.99890 17.35673 
4.843735       27.14800 
1 1 1 -22 16 16 o 43.60060 14.83018 24.66432       15.72333  15.03818       
22.48742  33.87191       21.99312  39.06000 16.49413 48.78825 17.47406 
-9.728249      24.02913 
1 1 1 -22 16 17 o 37.26603 15.03708 15.03798       17.57686  -4.452796      
29.41084  25.86720       21.92257  35.18859 16.46643 43.83335 17.07515 
-8.644753      23.72138 
1 1 1 -22 17 5  o 31.19811 12.28106 10.16607       11.43924  17.01933       
15.22284  1.276268       17.33778  36.90093 14.26931 29.84468 13.46723 
7.056244       19.62089 
1 1 1 -22 17 6  o 23.14130 10.63405 -4.396024      11.45119  -5.413823      
15.55736  -3.192585      16.91676  26.41191 12.22878 28.21254 12.94987 
-1.800623      17.81129 
1 1 1 -22 17 7  o 66.11208 10.00518 50.68371       13.03053  54.93840       
17.93120  45.92257       18.96840  65.30128 13.92810 57.62088 15.74184 
7.680408       21.01898 
1 1 1 -22 17 8  o 62.88023 10.49991 46.15974       12.95269  48.36584       
17.89513  43.73213       18.77206  60.77818 14.65055 56.59826 15.73908 
4.179916       21.50249 
1 1 1 -22 17 9  o 100.3805 7.446781 109.3218       15.09254  112.0355       
20.36335  106.0141       22.48166  98.91494 10.27349 94.37802 11.98417 
4.536919       15.78495 
1 1 1 -22 17 10 o 57.72156 12.23532 40.35642       13.91576  67.33267       
18.71252  6.978892       20.81462  74.44269 12.82400 35.24645 15.38431 
39.19624       20.02828 
1 1 1 -22 17 11 f 48.86689 13.52915 30.08346       13.90283  37.15664       
18.85471  21.65516       20.58176  52.37347 16.12230 42.19868 16.51517 
10.17479       23.07985 
1 1 1 -22 17 12 o 33.59362 13.65063 9.928946       14.59617  10.84122       
19.91899  8.871024       21.45017  36.58665 15.49067 36.40909 15.75611 
0.1775551      22.09561 
1 1 1 -22 17 13 o 100.5865 7.856880 110.2553       15.94339  115.4753       
21.91262  104.3833       23.24064  99.90945 10.96570 93.25598 12.57589 
6.653465       16.68531 
1 1 1 -22 17 14 o 66.77371 11.58481 52.91470       15.16025  43.59860       
20.38297  64.44904       22.68021  56.02110 16.66287 69.03854 16.39833 
-13.01744      23.37855 
1 1 1 -22 17 15 o 26.71232 12.60758 -11.62983      17.90011  -26.11839      
34.80912  -6.421108      20.87114  33.53369 16.27787 30.37031 14.09768 
3.163383       21.53401 
1 1 1 -22 17 16 o 88.18121 10.43354 90.11208       18.34667  87.39153       
28.02625  92.15217       24.26956  77.90119 18.04585 84.53339 14.64908 
-6.632195      23.24324 
1 1 1 -22 18 5  o 39.62581 13.37267 20.99665       12.78364  37.84573       
18.71554  6.260234       17.50291  49.98940 16.15430 31.68994 13.96173 
18.29946       21.35161 
1 1 1 -22 18 6  o 70.19078 8.967372 56.40947       12.50707  54.12270       
17.13304  59.01834       18.29990  64.43059 13.50819 66.92710 13.90049 
-2.496513      19.38285 
1 1 1 -22 18 7  o 52.14043 11.53677 33.39263       11.90846  22.70553       
16.51860  44.95708       17.18328  41.22329 15.09026 57.77552 14.61493 
-16.55223      21.00743 
1 1 1 -22 18 8  o 71.51637 9.540764 58.59935       13.52917  55.39825       
18.44592  62.32627       19.90336  65.14857 14.31429 68.85223 14.66456 
-3.703659      20.49264 
1 1 1 -22 18 9  o 62.60936 11.18639 46.63523       13.71967  73.84753       
18.69607  14.88251       20.19566  78.10418 12.16763 37.95315 15.80166 
40.15103       19.94351 
1 1 1 -22 18 10 o 29.76001 12.48458 5.775940       12.74704  -17.72886      
17.64497  31.43278       18.43505  24.82366 11.93567 47.82518 16.05919 
-23.00153      20.00894 
1 1 1 -22 18 11 o 95.18301 7.901257 99.21789       15.15524  86.72591       
20.66245  113.7634       22.29618  84.83167 12.33935 98.40508 11.35007 
-13.57341      16.76555 
1 1 1 -22 18 12 o 38.33989 14.07099 17.60125       14.37570  41.39212       
19.75956  -9.151693      20.95357  54.54605 16.44753 29.65608 13.88424 
24.88997       21.52425 
1 1 1 -22 18 13 o 28.02192 12.42099 0.4979360      14.06063  -3.011963      
19.23135  4.528937       20.60957  30.37765 13.89340 33.91383 15.03502 
-3.536182      20.47141 
1 1 1 -22 18 14 o 93.67076 8.850281 98.07036       16.65850  91.72482       
22.82157  105.3075       24.37215  85.74970 13.53682 92.09617 13.40718 
-6.346466      19.05251 
1 1 1 -22 18 15 o 76.29392 13.55052 73.27846       20.25299  44.96954       
38.82285  83.86327       23.73927  50.71577 21.55678 79.81789 15.18043 
-29.10212      26.36551 
1 1 1 -22 18 16 o 91.44407 13.19094 104.5099       23.81975  0.000000       
0.000000  104.5099       23.81975  ?        ?        91.44407 13.19094 
0.000000       13.19094 
1 1 1 -22 19 6  o 52.34718 12.30526 35.18509       12.87799  33.49093       
18.75694  36.69581       17.71236  47.05022 16.19336 49.90196 15.67019 
-2.851742      22.53397 
1 1 1 -22 19 7  o 29.33649 12.04253 7.312006       11.50564  18.84559       
15.97438  -5.121228      16.58570  38.28375 14.66590 27.11938 12.58107 
11.16437       19.32283 
1 1 1 -22 19 8  o 66.82246 9.958364 52.10152       13.11868  34.26182       
17.71926  73.74216       19.51582  49.07841 15.70369 76.47176 13.01602 
-27.39335      20.39663 
1 1 1 -22 19 9  o 62.92736 10.76895 46.99418       13.28506  37.58049       
18.05326  58.11293       19.62021  51.71971 15.74968 65.88915 14.98209 
-14.16944      21.73742 
1 1 1 -22 19 10 o 27.55970 12.07047 1.857595       12.91114  -13.08211      
17.43651  19.99156       19.21033  25.71487 12.22668 40.12815 15.87716 
-14.41328      20.03936 
1 1 1 -22 19 11 o 26.36980 11.83270 -1.169884      13.17221  3.876188       
17.60386  -7.589261      19.85535  31.73880 13.99163 29.12136 13.59521 
2.617447       19.50885 
1 1 1 -22 19 12 o 56.60222 12.79925 40.10262       14.38684  42.75140       
19.97948  37.25011       20.73360  54.83279 16.53988 50.66976 17.03087 
4.163029       23.74065 
1 1 1 -22 19 13 o 105.9874 7.589221 122.8135       16.24872  146.7008       
23.23330  99.94349       22.73319  112.7496 10.24496 90.14169 12.75806 
22.60794       16.36238 
1 1 1 -22 19 14 o 44.53117 14.58716 26.47318       15.23539  33.29401       
21.20394  19.19363       21.90536  47.74730 17.15171 40.11363 16.55853 
7.633671       23.84043 
1 1 1 -22 19 15 o 34.69328 14.24670 11.99313       16.11027  5.455157       
25.39497  16.39642       20.84083  35.73050 16.19478 38.37931 16.02172 
-2.648811      22.78083 
1 1 1 -22 20 7  o 67.03475 10.17829 53.48065       13.43865  64.67007       
19.66044  43.66796       18.41126  68.99037 14.47543 54.63829 15.72342 
14.35209       21.37204 
1 1 1 -22 20 8  o 31.13096 12.61010 9.376723       12.41253  7.199211       
16.93695  11.90321       18.24374  32.15422 13.95772 34.88008 14.79970 
-2.725853      20.34328 
1 1 1 -22 20 9  o 23.91845 10.99848 -4.351964      12.27727  -18.48269      
16.58600  12.77470       18.25980  23.37260 11.31972 35.54478 14.92841 
-12.17219      18.73482 
1 1 1 -22 20 10 o 30.24458 12.87076 6.107621       13.86970  -7.094845      
20.41098  17.43362       18.90491  29.29796 13.71235 38.25617 15.53917 
-8.958212      20.72425 
1 1 1 -22 20 11 o 77.19754 9.419203 68.28318       14.47999  65.66370       
19.76309  71.31909       21.27613  70.95436 14.19269 73.34093 14.77648 
-2.386566      20.48845 
1 1 1 -22 20 12 o 62.65659 12.07372 48.35813       14.82577  35.23989       
20.01925  64.29160       22.06303  49.01247 16.73363 67.78782 16.22193 
-18.77535      23.30591 
1 1 1 -22 20 13 o 24.69576 11.62092 -9.270006      15.00141  -35.22459      
23.08814  9.692663       19.73475  25.05370 12.38125 34.92468 15.11335 
-9.870979      19.53736 
1 1 1 -22 20 14 o 49.03417 15.18082 33.50843       16.68983  37.98346       
24.88595  29.85036       22.49995  48.86520 18.40256 44.98119 17.36075 
3.884007       25.29921 
1 1 1 -22 21 8  o 24.67784 11.35813 -3.740892      13.13445  -12.11570      
18.44184  4.880088       18.71092  26.10019 12.45557 31.69900 14.17182 
-5.598810      18.86748 
1 1 1 -22 21 9  o 79.34566 9.364870 72.90107       14.81920  41.02409       
21.30921  102.7571       20.62267  51.03656 17.26511 91.95852 11.26360 
-40.92196      20.61438 
1 1 1 -22 21 10 f 24.09556 11.27544 -7.302220      13.79021  11.87058       
19.84456  -25.20708      19.17715  35.41162 15.23983 23.85353 11.68778 
11.55809       19.20564 
1 1 1 -22 21 11 o 68.04663 11.71960 56.91294       15.63178  70.70328       
22.83603  44.75370       21.44303  70.51022 16.25876 53.92501 17.27734 
16.58521       23.72454 
1 1 1 -22 21 12 f 56.41499 13.63122 41.92500       15.46346  22.28808       
22.27008  60.20718       21.48816  40.80260 16.75231 64.72349 16.32755 
-23.92089      23.39292 
1 1 1 -22 21 13 o 94.94403 9.385035 103.6642       17.88264  93.99124       
26.59584  111.6459       24.15915  81.13789 16.67643 93.90060 13.00088 
-12.76271      21.14535 
1 1 1 -22 22 9  o 38.30302 13.69831 19.71262       13.51077  3.896421       
19.81470  33.45539       18.47029  31.69352 14.34049 46.75610 16.07046 
-15.06258      21.53855 
1 1 1 -22 22 10 o 49.58995 13.90733 33.76218       14.59215  40.54308       
20.88199  27.29114       20.39931  50.52020 17.09116 42.61326 16.50701 
7.906937       23.76108 
1 1 1 -22 22 11 o 25.61195 11.77998 -3.506459      14.09529  0.8841999      
19.80934  -8.009179      20.06054  30.88725 14.11657 28.32501 13.36200 
2.562244       19.43761 
1 1 1 -22 22 12 o 37.48378 14.08572 18.25139       14.56457  38.46564       
21.39578  0.7959597      19.88222  49.17310 17.27378 30.92636 14.13758 
18.24674       22.32162 
1 1 1 -21 0  1  o 17.25954 12.06527 -13.19961      15.64661  -13.19961      
15.64661  -13.19961      15.64661  17.25954 12.06527 17.25954 12.06527 
-0.000000      0.000000 
1 1 1 -21 0  2  o 50.71906 17.96176 36.95394       16.85367  36.95394       
16.85367  36.95394       16.85367  50.71906 17.96176 50.71906 17.96176 
-0.000000      0.000000 
1 1 1 -21 0  3  o 24.13397 15.72051 0.7317409      18.69412  0.7317409      
18.69412  0.7317409      18.69412  24.13397 15.72051 24.13397 15.72051 
-0.000000      0.000000 
1 1 1 -21 0  4  o 23.06576 15.27373 -2.563558      18.79116  -2.563558      
18.79116  -2.563558      18.79116  23.06576 15.27373 23.06576 15.27373 
-0.000000      0.000000 
1 1 1 -21 0  5  o 91.86174 11.83704 92.64244       21.10271  92.64244       
21.10271  92.64244       21.10271  91.86174 11.83704 91.86174 11.83704 
-0.000000      0.000000 
1 1 1 -21 0  6  o 82.15580 12.97166 75.76600       20.05533  75.76600       
20.05533  75.76600       20.05533  82.15580 12.97166 82.15580 12.97166 
-0.000000      0.000000 
1 1 1 -21 0  7  o 31.34415 19.49258 9.460157       25.04196  9.460157       
25.04196  9.460157       25.04196  31.34415 19.49258 31.34415 19.49258 
0.000000       0.000000 
1 1 1 -21 0  8  o 48.52675 23.21135 38.53956       26.31726  38.53956       
26.31726  38.53956       26.31726  48.52675 23.21135 48.52675 23.21135 
-0.000000      0.000000 
1 1 1 -21 0  9  o 38.63747 22.02750 22.96389       27.10415  22.96389       
27.10415  22.96389       27.10415  38.63747 22.02750 38.63747 22.02750 
-0.000000      0.000000 
1 1 1 -21 0  10 o 27.49851 18.11120 -2.172076      25.85120  -2.172076      
25.85120  -2.172076      25.85120  27.49851 18.11120 27.49851 18.11120 
0.000000       0.000000 
1 1 1 -21 0  11 o 34.39916 20.82272 14.59550       26.85331  14.59550       
26.85331  14.59550       26.85331  34.39916 20.82272 34.39916 20.82272 
0.000000       0.000000 
1 1 1 -21 0  12 o 116.9486 13.97072 149.9091       31.97205  149.9091       
31.97205  149.9091       31.97205  116.9486 13.97072 116.9486 13.97072 
-0.000000      0.000000 
1 1 1 -21 0  13 o 29.29397 17.86252 9.538907       20.07572  9.538907       
20.07572  9.538907       20.07572  29.29397 17.86252 29.29397 17.86252 
0.000000       0.000000 
1 1 1 -21 0  14 o 65.71873 18.19477 55.26469       21.03119  55.26469       
21.03119  55.26469       21.03119  65.71873 18.19477 65.71873 18.19477 
0.000000       0.000000 
1 1 1 -21 0  15 o 47.92923 21.21724 36.43836       21.79008  36.43836       
21.79008  36.43836       21.79008  47.92923 21.21724 47.92923 21.21724 
-0.000000      0.000000 
1 1 1 -21 0  16 o 146.0950 9.345642 224.6421       27.50435  224.6421       
27.50435  224.6421       27.50435  146.0950 9.345642 146.0950 9.345642 
0.000000       0.000000 
1 1 1 -21 0  17 o 86.39606 15.67715 87.61468       24.85412  87.61468       
24.85412  87.61468       24.85412  86.39606 15.67715 86.39606 15.67715 
0.000000       0.000000 
1 1 1 -21 0  18 o 138.7697 9.925230 205.5252       27.67910  205.5252       
27.67910  205.5252       27.67910  138.7697 9.925230 138.7697 9.925230 
-0.000000      0.000000 
1 1 1 -21 0  19 o 143.9671 9.557395 221.6193       27.69746  221.6193       
27.69746  221.6193       27.69746  143.9671 9.557395 143.9671 9.557395 
0.000000       0.000000 
1 1 1 -21 0  20 o 147.6064 9.979948 235.7428       29.64173  235.7428       
29.64173  235.7428       29.64173  147.6064 9.979948 147.6064 9.979948 
-0.000000      0.000000 
1 1 1 -21 0  21 o 49.00959 22.69261 45.15404       24.98320  45.15404       
24.98320  45.15404       24.98320  49.00959 22.69261 49.00959 22.69261 
-0.000000      0.000000 
1 1 1 -21 1  1  o 65.73957 9.375975 47.99525       12.17901  33.76669       
16.84786  63.56836       17.62592  51.74866 15.08437 73.86416 12.15764 
-22.11550      19.37386 
1 1 1 -21 1  2  o 49.78554 12.21901 28.93534       12.27858  23.94997       
17.34021  33.94877       17.38896  45.03049 15.56572 52.48097 15.33239 
-7.450474      21.84888 
1 1 1 -21 1  3  o 40.07204 13.13333 17.98142       12.34926  17.40311       
17.34111  18.57649       17.59056  41.12585 15.38635 41.96769 15.53684 
-0.8418350     21.86626 
1 1 1 -21 1  4  o 107.4723 6.858087 120.9745       14.91007  130.8079       
21.00539  110.9886       21.16759  110.3579 9.451185 100.9964 10.45811 
9.361435       14.09599 
1 1 1 -21 1  5  o 55.63768 12.69697 35.19083       14.04856  39.14398       
19.55628  30.97549       20.19442  57.39080 16.10180 51.50824 16.79041 
5.882557       23.26340 
1 1 1 -21 1  6  o 41.70025 14.50300 18.31292       15.06438  24.67173       
18.60593  6.211440       25.66743  47.23059 16.13210 40.80022 17.43936 
6.430378       23.75660 
1 1 1 -21 1  7  o 57.32642 13.51830 37.33061       15.50277  47.75905       
19.20563  17.82923       26.26345  64.36449 14.95806 46.27607 18.48342 
18.08842       23.77772 
1 1 1 -21 1  8  o 37.05303 14.33156 11.16748       15.35883  10.56678       
19.11110  12.26305       25.80934  39.07561 15.71039 43.72567 18.00297 
-4.650063      23.89400 
1 1 1 -21 1  9  o 68.53585 14.15504 53.08097       19.07474  72.91843       
26.79359  32.69468       27.16169  78.99039 17.17033 54.41916 19.42669 
24.57124       25.92714 
1 1 1 -21 1  10 o 120.5070 9.227834 153.3164       22.44144  201.5521       
32.48561  109.2843       31.03784  136.7311 11.79904 97.93759 16.14725 
38.79355       19.99877 
1 1 1 -21 1  11 o 65.61128 19.16979 51.47866       27.18159  0.000000       
0.000000  51.47866       27.18159  ?        ?        65.61128 19.16979 
0.000000       19.16979 
1 1 1 -21 1  12 o 113.3745 8.110456 134.6239       18.57524  142.6048       
23.14395  120.1765       31.13914  115.8825 9.916805 103.3753 15.27273 
12.50723       18.20987 
1 1 1 -21 1  13 o 134.7232 7.346828 188.9663       20.05167  178.3317       
24.91385  208.5238       33.78593  129.8504 9.501058 138.8582 12.08553 
-9.007782      15.37303 
1 1 1 -21 1  14 o 27.32392 12.24782 -4.722722      14.07297  3.108997       
19.69283  -12.89655      20.11835  35.84993 15.29820 30.17244 13.94749 
5.677483       20.70187 
1 1 1 -21 1  15 o 182.0329 5.574091 341.3695       20.63362  315.2485       
28.89804  368.5367       29.47109  173.6255 8.184714 188.0222 7.707892 
-14.39670      11.24283 
1 1 1 -21 1  16 o 155.4919 6.196729 250.1258       19.59394  253.6667       
27.68650  246.5728       27.73358  155.0065 8.819944 152.7214 8.969433 
2.285126       12.57943 
1 1 1 -21 1  17 o 84.64605 10.21731 77.54321       17.23140  84.31556       
24.25437  70.64143       24.48503  85.92893 14.38906 77.47527 16.06828 
8.453667       21.56930 
1 1 1 -21 1  18 o 28.22876 12.75222 -5.391276      15.59583  16.56891       
21.91140  -27.94018      22.20315  42.91554 16.96406 27.58952 13.29651 
15.32602       21.55404 
1 1 1 -21 1  19 o 31.05238 13.49743 0.9952528      15.88048  -10.70952      
22.39187  12.84016       22.52551  31.91218 14.73862 40.88475 16.82430 
-8.972574      22.36703 
1 1 1 -21 1  20 o 31.63424 13.80748 1.304495       16.76600  0.2303161      
23.91106  2.343408       23.51529  36.08688 16.08515 36.60061 16.15112 
-0.5137253     22.79454 
1 1 1 -21 1  21 o 44.95532 15.69741 24.45813       17.65625  40.47202       
25.15459  8.906530       24.78885  54.71718 18.75712 39.21528 16.95427 
15.50190       25.28393 
1 1 1 -21 2  1  o 26.88724 11.61893 1.301809       11.63109  -15.27304      
16.61315  17.23679       16.28932  25.14716 11.95026 39.58572 14.89234 
-14.43856      19.09426 
1 1 1 -21 2  2  o 30.82178 12.43111 6.716434       12.00659  18.53121       
16.85233  -5.462911      17.11037  41.19526 15.21598 29.10602 13.23137 
12.08924       20.16421 
1 1 1 -21 2  3  o 74.05800 8.956748 59.31715       13.21468  40.81471       
18.71670  77.70805       18.66020  57.96527 15.55457 83.54225 11.27171 
-25.57698      19.20927 
1 1 1 -21 2  4  o 26.63486 11.79997 -2.323143      12.67360  -13.12953      
17.85253  8.655991       17.99466  27.60777 12.88951 36.68314 15.05954 
-9.075365      19.82244 
1 1 1 -21 2  5  o 125.3021 7.249778 164.3988       18.39394  181.0901       
22.92503  134.2347       30.81831  130.7272 8.672925 108.7741 14.27744 
21.95309       16.70524 
1 1 1 -21 2  6  o 120.7594 7.458704 152.6503       18.22655  154.8689       
22.73884  148.6631       30.48355  120.6683 9.339400 115.7535 13.18561 
4.914795       16.15811 
1 1 1 -21 2  7  o 66.46152 12.23363 49.06260       15.92474  38.24683       
19.62958  69.88545       27.23656  57.19621 16.16182 76.51157 17.83479 
-19.31536      24.06832 
1 1 1 -21 2  8  o 133.8704 6.041514 184.9698       16.44681  188.0646       
23.09311  181.7843       23.42913  133.7528 8.534916 131.3445 8.823099 
2.408295       12.27566 
1 1 1 -21 2  9  o 102.8400 7.437956 110.4359       15.44997  109.3099       
22.27586  111.4797       21.44682  100.7476 11.05461 102.0326 10.48565 
-1.285042      15.23658 
1 1 1 -21 2  10 o 48.48808 13.53796 26.41340       13.85949  2.352151       
19.28563  52.11157       19.93085  35.26254 15.09566 67.60843 14.89857 
-32.34589      21.20959 
1 1 1 -21 2  11 o 39.09159 14.02097 14.92680       14.16449  18.13291       
20.01137  11.70768       20.05191  43.97373 16.51350 40.38499 16.14334 
3.588734       23.09335 
1 1 1 -21 2  12 o 98.38867 9.056889 102.3129       17.91728  106.3567       
22.18015  94.71798       30.39674  99.37601 11.16917 90.43943 17.15558 
8.936577       20.47106 
1 1 1 -21 2  13 o 132.1038 7.439021 181.8389       19.90267  184.0654       
24.81841  177.8270       33.31459  132.0224 9.303835 127.5258 13.02951 
4.496635       16.01029 
1 1 1 -21 2  14 o 85.14490 9.376059 77.15677       15.96511  87.35378       
22.62840  67.04996       22.52808  89.00970 12.87569 76.75195 14.97154 
12.25776       19.74666 
1 1 1 -21 2  15 o 87.56375 9.226869 81.58235       16.18241  92.83121       
23.00575  70.56587       22.76688  91.77444 12.66459 78.74362 14.76025 
13.03082       19.44883 
1 1 1 -21 2  16 o 155.8864 6.253548 251.5035       19.82376  283.9494       
28.49216  221.0593       27.59922  164.1781 8.563794 144.2520 9.460979 
19.92613       12.76122 
1 1 1 -21 2  17 o 64.70191 13.13259 47.54550       16.68869  46.96838       
23.47666  48.13505       23.72811  62.13767 17.71554 62.86454 17.77110 
-0.7268639     25.09288 
1 1 1 -21 2  18 o 95.83827 9.069860 98.43454       17.46605  85.06465       
25.07152  111.0417       24.34590  85.42964 14.97788 99.83413 12.24907 
-14.40449      19.34881 
1 1 1 -21 2  19 o 109.7586 8.231036 128.4209       18.23771  102.7129       
25.34299  156.0352       26.26579  94.46085 13.58411 118.9804 10.97971 
-24.51954      17.46660 
1 1 1 -21 2  20 o 85.53300 10.68654 81.49174       18.18194  87.93004       
25.36699  74.68961       26.07387  85.38595 15.16487 76.87014 17.11928 
8.515808       22.87014 
1 1 1 -21 2  21 o 35.68664 15.42078 5.709270       20.48625  3.114530       
24.32389  12.04183       37.99931  36.83562 16.33189 45.11073 20.17992 
-8.275112      25.96073 
1 1 1 -21 3  1  o 34.84000 12.85428 12.72680       12.02031  8.362418       
16.38298  17.81579       17.69081  34.32002 14.25580 40.32181 15.43679 
-6.001793      21.01243 
1 1 1 -21 3  2  o 31.35624 12.37349 7.909631       11.63856  4.275700       
16.13799  11.84820       16.80082  32.50091 13.85841 36.98727 14.77976 
-4.486355      20.26073 
1 1 1 -21 3  3  o 45.16766 13.41731 23.75468       13.22229  42.37038       
18.31837  3.506563       19.10468  59.24721 15.14612 34.61662 14.92517 
24.63059       21.26418 
1 1 1 -21 3  4  o 74.95869 9.426658 60.79336       14.05135  65.32943       
20.08140  56.44202       19.66826  75.46954 13.58447 69.56585 14.37857 
5.903687       19.78083 
1 1 1 -21 3  5  o 36.25756 14.34745 10.16385       15.68871  14.40288       
19.42432  2.209359       26.60839  40.84026 16.02669 39.56577 17.32848 
1.274490       23.60363 
1 1 1 -21 3  6  o 45.12467 14.85026 22.60199       15.78316  41.37809       
19.61206  -11.91039      26.58937  59.26651 15.93008 35.31628 16.21970 
23.95023       22.73425 
1 1 1 -21 3  7  o 134.8884 5.957922 187.8904       16.34259  188.9339       
23.10726  186.8461       23.11656  133.9425 8.527945 133.1685 8.582008 
0.7740173      12.09862 
1 1 1 -21 3  8  o 101.8887 7.329053 108.4372       15.08392  110.2044       
21.46685  106.7138       21.19943  101.2979 10.57716 99.64144 10.62637 
1.656502       14.99320 
1 1 1 -21 3  9  o 25.24127 11.57490 -8.126047      13.47079  10.26692       
19.64238  -24.45807      18.50922  39.29386 15.88176 25.45009 12.23375 
13.84377       20.04732 
1 1 1 -21 3  10 o 84.09489 8.999924 74.94573       15.15184  73.78950       
21.94656  75.99879       20.94444  81.33978 13.75886 83.04066 12.81545 
-1.700882      18.80271 
1 1 1 -21 3  11 o 119.8701 6.910498 149.2738       16.77363  163.2298       
24.26693  136.5057       23.21126  124.1220 9.691060 113.2027 10.19230 
10.91931       14.06413 
1 1 1 -21 3  12 o 159.6366 5.828310 262.5446       18.92023  263.6411       
26.74800  261.4465       26.76651  158.6988 8.317255 158.0118 8.359855 
0.6870117      11.79254 
1 1 1 -21 3  13 o 136.5311 7.326913 194.0929       20.26817  193.1476       
25.47684  195.7228       33.45221  135.2239 9.321838 134.2402 12.39432 
0.9837494      15.50857 
1 1 1 -21 3  14 o 81.22083 11.03817 71.49603       17.75896  80.54816       
22.08787  54.94551       29.86653  85.24311 13.16638 67.02338 20.22359 
18.21973       24.13187 
1 1 1 -21 3  15 o 52.79848 14.10493 31.85507       15.43164  58.17148       
22.33978  7.837628       21.34169  70.70994 15.91980 39.02525 16.24557 
31.68469       22.74552 
1 1 1 -21 3  16 o 25.37428 11.83695 -12.00152      15.00670  -6.804660      
21.26956  -17.15282      21.17611  32.94870 14.88763 29.65959 13.90877 
3.289118       20.37389 
1 1 1 -21 3  17 o 107.8486 8.365185 123.0975       18.20247  158.7988       
25.50460  86.03439       25.98651  121.2979 10.44161 86.07908 15.41157 
35.21877       18.61568 
1 1 1 -21 3  18 o 68.76084 17.00945 57.79239       23.65265  0.000000       
0.000000  57.79239       23.65265  ?        ?        68.76084 17.00945 
0.000000       17.00945 
1 1 1 -21 3  19 o 36.12112 14.27577 10.91861       15.51451  19.15137       
21.75540  2.399063       22.13108  43.65947 17.00922 36.15824 15.82061 
7.501232       23.22941 
1 1 1 -21 3  20 o 32.34470 14.89019 -8.488339      22.59066  -8.488339      
22.59066  0.000000       0.000000  32.34470 14.89019 ?        ?        
0.000000       14.89019 
1 1 1 -21 3  21 o 54.42624 16.81747 38.57063       20.49377  26.51549       
24.28727  68.37511       38.18858  46.87461 18.05238 65.75277 23.07871 
-18.87816      29.30043 
1 1 1 -21 4  1  o 32.11830 12.40298 9.568872       11.48896  34.50474       
16.26417  -15.26716      16.23158  52.40171 14.67778 24.75368 11.77755 
27.64803       18.81881 
1 1 1 -21 4  2  o 84.27842 7.814364 76.11503       13.24016  85.83588       
18.64175  66.21983       18.80818  87.68933 10.67437 75.53984 12.69413 
12.14949       16.58563 
1 1 1 -21 4  3  o 28.55803 12.19757 1.962796       12.53965  -14.81297      
17.72577  18.76881       17.74174  26.76400 12.60569 42.04091 15.59562 
-15.27692      20.05310 
1 1 1 -21 4  4  o 40.14232 14.32563 16.97768       14.76911  18.52222       
18.35962  14.14534       24.86209  42.48862 15.84442 42.94492 17.67410 
-0.4563026     23.73646 
1 1 1 -21 4  5  o 54.25505 14.57430 34.39099       16.42167  35.01358       
20.23964  33.19149       28.09311  54.21619 16.70631 53.62025 19.67158 
0.5959435      25.80837 
1 1 1 -21 4  6  o 110.6508 7.048706 127.9169       15.77787  136.3294       
22.42741  119.6734       22.20087  112.8265 9.874413 105.3109 10.50708 
7.515625       14.41884 
1 1 1 -21 4  7  o 56.74969 12.33608 36.12243       13.82992  38.24742       
19.72468  34.06757       19.39638  57.11571 16.22256 54.09061 16.29241 
3.025097       22.99161 
1 1 1 -21 4  8  o 25.98347 11.78755 -6.281315      13.49081  6.709417       
19.69773  -17.75877      18.51493  37.44622 15.59939 27.18805 12.82910 
10.25817       20.19720 
1 1 1 -21 4  9  o 44.93291 13.89629 22.37712       13.98911  29.69207       
19.94069  15.28822       19.63015  51.26762 16.68326 42.00646 16.21494 
9.261162       23.26490 
1 1 1 -21 4  10 o 110.6975 7.083720 127.5652       15.86233  130.3990       
22.31318  124.6698       22.55422  110.6585 10.02456 107.9998 10.39810 
2.658775       14.44342 
1 1 1 -21 4  11 o 115.0750 7.057632 137.7653       16.43573  127.6243       
23.05984  148.2362       23.43188  109.2483 10.50951 118.1505 9.842128 
-8.902229      14.39851 
1 1 1 -21 4  12 o 104.2953 7.701130 113.7585       16.21765  127.8941       
23.16656  100.1738       22.71066  109.3363 10.55048 96.01144 11.88604 
13.32485       15.89310 
1 1 1 -21 4  13 o 39.53090 14.13345 15.46033       14.38181  26.47195       
20.08299  3.868875       20.60497  49.14402 16.76033 36.86676 15.68820 
12.27726       22.95710 
1 1 1 -21 4  14 o 48.47103 15.44405 26.35542       17.15200  38.54705       
21.16479  3.028574       29.27597  57.40229 16.95686 42.05704 18.30362 
15.34525       24.95110 
1 1 1 -21 4  15 o 65.60630 14.30942 49.18464       18.55308  58.07501       
22.65342  31.07268       32.33379  70.48593 16.15069 54.35584 20.85525 
16.13009       26.37776 
1 1 1 -21 4  16 o 42.80434 14.80500 19.55269       15.68788  36.16162       
21.61653  1.070465       22.80302  55.32614 17.30116 36.94359 16.11434 
18.38255       23.64322 
1 1 1 -21 4  17 o 102.6554 8.810490 112.1262       18.21395  138.4324       
25.44560  84.48545       26.08306  112.6246 11.26130 85.05460 15.65720 
27.57000       19.28639 
1 1 1 -21 4  18 o 52.72169 14.36249 32.71391       15.81627  63.73950       
22.38239  1.770247       22.35282  73.25056 15.50908 36.39173 15.91182 
36.85883       22.21976 
1 1 1 -21 4  19 o 45.55272 15.11375 24.24656       16.33601  14.10587       
23.05832  34.46554       23.14715  41.60427 17.05973 52.70093 17.99347 
-11.09666      24.79515 
1 1 1 -21 4  20 o 44.06754 17.37390 20.45179       22.92695  20.45179       
22.92695  0.000000       0.000000  44.06754 17.37390 ?        ?        
0.000000       17.37390 
1 1 1 -21 4  21 o 36.12834 15.40678 7.591770       19.94938  3.871446       
23.32548  17.72597       38.49770  36.48152 16.09284 46.65298 20.62225 
-10.17147      26.15830 
1 1 1 -21 5  1  o 93.04206 6.846118 92.20502       12.86216  103.9729       
18.43117  81.03394       17.95774  96.88684 9.476166 84.52712 10.68603 
12.35972       14.28247 
1 1 1 -21 5  2  o 88.09419 10.76237 86.87923       18.87908  86.87923       
18.87908  0.000000       0.000000  88.09419 10.76237 ?        ?        
0.000000       10.76237 
1 1 1 -21 5  3  o 42.78662 14.42121 20.90955       14.86676  34.51737       
18.14716  -6.861807      25.92465  53.15597 15.70130 35.37129 16.15942 
17.78468       22.53126 
1 1 1 -21 5  4  o 41.33784 14.65106 18.36962       15.42235  20.72543       
19.34738  14.26384       25.54173  44.12958 16.30276 43.23065 17.86550 
0.8989296      24.18587 
1 1 1 -21 5  5  o 83.60904 9.117288 74.94839       15.25010  72.77172       
21.25275  77.25867       21.89539  80.00819 13.54600 82.50101 13.51936 
-2.492821      19.13811 
1 1 1 -21 5  6  o 93.58543 7.953159 92.37969       14.99217  123.7497       
21.86921  64.56524       20.59260  107.2665 10.14628 75.29446 13.96336 
31.97204       17.26043 
1 1 1 -21 5  7  o 129.7284 6.273903 174.1700       16.55100  177.8240       
23.27077  170.4293       23.54493  129.6784 8.877950 126.7651 9.196263 
2.913277       12.78238 
1 1 1 -21 5  8  o 52.12433 13.54407 30.87368       14.48698  57.66236       
19.96887  1.108197       21.04914  71.23111 14.28296 35.88927 15.56959 
35.34184       21.12854 
1 1 1 -21 5  9  o 85.50064 8.901998 77.50462       15.25081  60.01939       
21.06256  96.77470       22.11146  72.56657 14.77540 94.28224 11.79064 
-21.71568      18.90322 
1 1 1 -21 5  10 o 31.63283 13.10354 4.285754       13.78720  -10.83402      
19.05753  20.88905       19.97060  29.88567 13.72781 45.51735 16.60286 
-15.63168      21.54316 
1 1 1 -21 5  11 o 92.05817 8.716694 89.49920       16.12360  97.57820       
23.03328  81.73644       22.57797  94.51472 12.27382 85.84640 13.36854 
8.668320       18.14840 
1 1 1 -21 5  12 o 73.35169 10.57422 58.15678       15.31719  53.34420       
21.72447  62.91418       21.59961  67.83447 16.00697 74.41565 14.79451 
-6.581177      21.79680 
1 1 1 -21 5  13 o 93.03088 8.572795 91.33500       16.03568  78.65289       
22.46788  104.5026       22.89387  83.98961 13.62140 98.09111 11.70864 
-14.10150      17.96204 
1 1 1 -21 5  14 o 45.39437 14.35115 22.87378       14.83263  45.19012       
20.84333  -0.2212609E-01 21.11225  62.12053 16.29671 35.50694 15.49607 
26.61359       22.48802 
1 1 1 -21 5  15 o 116.7005 8.521387 143.6324       20.08269  116.7072       
24.45624  199.3803       35.19043  103.4094 11.84352 134.5548 13.02394 
-31.14539      17.60375 
1 1 1 -21 5  16 o 35.10288 14.20986 7.943037       15.75080  6.419611       
21.64778  9.656765       22.96010  38.34438 16.18713 40.58612 16.86903 
-2.241745      23.37921 
1 1 1 -21 5  17 o 106.9554 8.265862 121.1041       17.83850  111.4203       
24.54757  131.9402       25.96715  100.2208 12.30317 109.4631 11.85498 
-9.242325      17.08533 
1 1 1 -21 5  18 o 54.97901 14.31046 35.64522       16.15463  38.07471       
23.10775  33.32273       22.59314  55.55207 17.94987 52.53767 17.77761 
3.014404       25.26344 
1 1 1 -21 5  19 o 66.54002 13.17425 51.47169       17.19550  68.35457       
23.77483  32.95238       24.90042  74.77768 16.11031 51.74854 18.58695 
23.02914       24.59709 
1 1 1 -21 5  20 o 33.25262 14.20572 4.621931       17.01497  0.6831504      
22.69634  9.676179       25.71007  35.34654 15.71879 40.29548 17.34405 
-4.948940      23.40719 
1 1 1 -21 5  21 o 33.17817 14.24310 4.810207       17.25500  18.18327       
24.02311  -9.441722      24.79994  42.60085 17.43426 33.07449 15.35790 
9.526360       23.23399 
1 1 1 -21 6  1  o 82.14935 7.727215 72.95477       12.75688  81.84203       
18.21331  64.39613       17.87340  84.76197 10.81296 73.93043 12.32240 
10.83154       16.39395 
1 1 1 -21 6  2  f 117.2869 6.106803 144.3631       14.51480  127.5451       
19.89247  163.5123       21.22645  108.1696 9.128695 123.0583 8.535078 
-14.88878      12.49722 
1 1 1 -21 6  3  o 56.02370 13.36409 36.98079       15.01210  19.30932       
18.12394  75.60296       26.79382  42.36336 15.75330 77.53770 17.41829 
-35.17434      23.48539 
1 1 1 -21 6  4  o 27.20640 11.93352 -1.000157      12.66152  -4.537247      
18.09367  2.393965       17.72423  30.68781 13.81098 33.28116 14.36254 
-2.593351      19.92550 
1 1 1 -21 6  5  o 21.75138 10.43161 -17.00157      13.28536  -19.54487      
18.97719  -14.55705      18.60502  26.84614 12.76190 27.91816 13.07455 
-1.072021      18.27047 
1 1 1 -21 6  6  o 44.71604 13.65380 22.58924       13.55478  27.23220       
19.02098  17.79852       19.32126  48.87646 16.31290 42.84791 16.19687 
6.028545       22.98802 
1 1 1 -21 6  7  o 108.4848 7.186888 123.0176       15.76502  131.1294       
21.80244  114.1288       22.82274  110.7646 9.779942 102.5557 11.12174 
8.208878       14.81014 
1 1 1 -21 6  8  o 41.14562 13.91188 17.99591       13.83560  -0.7867580     
19.60470  36.63286       19.52850  33.96669 14.87525 56.00181 16.21602 
-22.03512      22.00529 
1 1 1 -21 6  9  o 144.1087 7.162460 215.7324       20.98958  205.1810       
37.16511  220.6741       25.43418  136.3209 13.58774 144.8003 8.677680 
-8.479324      16.12231 
1 1 1 -21 6  10 o 109.6277 8.681841 126.7018       19.19627  79.68599       
34.52108  147.7477       23.09651  80.08402 20.95538 117.9166 9.718651 
-37.83258      23.09936 
1 1 1 -21 6  11 o 115.7865 7.264319 139.7580       17.01761  152.8747       
24.04238  126.5885       24.09076  119.8555 9.954420 108.4160 11.08294 
11.43944       14.89704 
1 1 1 -21 6  12 o 126.4221 6.814229 166.0509       17.45357  160.7085       
24.03007  172.0163       25.39238  123.0409 9.682269 127.2021 9.894378 
-4.161179      13.84359 
1 1 1 -21 6  13 o 64.92055 12.32552 46.80856       15.67680  55.68982       
21.75416  37.21359       22.61136  69.32488 15.78495 56.43429 17.70249 
12.89059       23.71799 
1 1 1 -21 6  14 o 25.57318 11.82313 -9.968225      14.46418  7.310472       
19.90076  -29.31718      21.05925  37.83011 15.71272 26.61749 12.85825 
11.21262       20.30331 
1 1 1 -21 6  15 o 45.65874 15.56479 22.77393       17.31999  16.42924       
21.41009  34.78890       29.46287  43.23695 16.86561 55.33876 20.16914 
-12.10181      26.29150 
1 1 1 -21 6  16 o 58.24636 15.02400 39.64879       17.91204  47.44786       
22.50512  26.16963       29.58634  62.79609 17.14298 50.84988 19.82867 
11.94622       26.21179 
1 1 1 -21 6  17 o 101.0594 8.684120 108.7235       17.67317  148.0039       
25.21364  70.78487       24.77929  116.6932 10.74598 77.06963 16.31899 
39.62352       19.53933 
1 1 1 -21 6  18 o 108.5193 8.276263 125.3019       18.12615  137.6404       
25.11499  111.8876       26.18709  111.7723 11.20033 99.13784 13.32719 
12.63448       17.40866 
1 1 1 -21 6  19 f 36.06021 14.44830 10.48052       16.10333  -13.10248      
21.58418  40.08689       24.18403  30.43286 14.19649 55.88042 18.38199 
-25.44756      23.22581 
1 1 1 -21 6  20 o 84.25196 12.73740 82.34013       21.14174  64.86012       
24.73677  129.7111       40.72190  70.90891 17.30689 96.31126 21.35243 
-25.40235      27.48553 
1 1 1 -21 6  21 o 61.69508 16.41010 49.44837       20.94632  42.67267       
25.08455  65.05488       38.06992  55.59798 18.73258 63.64137 22.96756 
-8.043396      29.63812 
1 1 1 -21 7  1  o 138.9239 5.331896 201.5715       15.06295  193.3154       
21.16977  210.0376       21.43721  133.8460 7.811779 139.7743 7.570273 
-5.928314      10.87809 
1 1 1 -21 7  2  o 145.0359 6.299387 220.8087       18.57912  232.5358       
22.68088  196.8895       32.39185  147.6390 7.580084 130.9250 12.31097 
16.71393       14.45744 
1 1 1 -21 7  3  o 24.15528 11.34972 -11.89217      14.21830  -21.38480      
17.27674  8.030179       25.02872  24.45436 11.77125 39.70197 17.10056 
-15.24760      20.76033 
1 1 1 -21 7  4  f 88.53283 8.246892 83.65291       14.67643  61.19193       
20.12098  109.1894       21.45434  72.33131 14.18642 99.68274 10.75418 
-27.35143      17.80188 
1 1 1 -21 7  5  o 200.1194 5.017814 412.8786       20.41997  396.9471       
28.25085  430.3082       29.54929  194.8582 7.129539 202.8550 7.163245 
-7.996811      10.10655 
1 1 1 -21 7  6  o 86.52245 8.826219 79.84385       15.31195  55.01371       
21.02518  107.8858       22.34366  68.40384 15.47657 99.34393 11.25898 
-30.94009      19.13868 
1 1 1 -21 7  7  o 117.5317 15.09161 157.2547       35.23639  157.2547       
35.23639  0.000000       0.000000  117.5317 15.09161 ?        ?        
0.000000       15.09161 
1 1 1 -21 7  8  f 48.37865 15.48586 26.46463       17.22980  37.48836       
31.22086  21.63694       20.66094  57.03434 20.76596 45.93496 16.86727 
11.09938       26.75312 
1 1 1 -21 7  9  o 52.59389 15.52670 31.87076       17.75014  70.08480       
31.98045  14.85745       21.33868  75.09460 20.40874 42.49816 16.75935 
32.59645       26.40819 
1 1 1 -21 7  10 o 53.62868 15.38748 33.12854       17.65637  50.04070       
33.79217  26.77759       20.70788  63.92714 21.74115 49.34469 17.01287 
14.58245       27.60644 
1 1 1 -21 7  11 o 66.27641 13.71125 49.61076       17.86983  64.32142       
33.14421  43.58211       21.21786  71.74039 21.22752 60.93673 16.64968 
10.80366       26.97813 
1 1 1 -21 7  12 o 79.50903 10.31391 68.09677       16.28310  104.1725       
23.47135  34.62493       22.60843  97.67321 12.07423 54.71527 17.76222 
42.95794       21.47751 
1 1 1 -21 7  13 f 91.09908 10.21181 89.08105       18.59213  80.15176       
22.31294  109.3607       33.62627  84.80111 13.38299 96.37180 17.81462 
-11.57069      22.28150 
1 1 1 -21 7  14 o 50.72566 15.50283 29.50286       17.46956  11.55135       
20.99905  69.85314       31.48273  40.54955 16.40992 74.95618 20.19852 
-34.40663      26.02433 
1 1 1 -21 7  15 o 147.2822 7.480205 226.8549       22.32991  214.8070       
26.44286  256.8020       41.68983  142.3096 9.186457 152.0099 13.63158 
-9.700226      16.43809 
1 1 1 -21 7  16 o 43.79382 17.13428 17.39566       22.14869  17.39566       
22.14869  0.000000       0.000000  43.79382 17.13428 ?        ?        
0.000000       17.13428 
1 1 1 -21 7  17 f 86.06013 10.28967 80.60072       17.65048  73.49657       
23.26760  90.23009       27.08905  79.36827 14.96511 87.52269 15.80172 
-8.154419      21.76348 
1 1 1 -21 7  18 o 23.44985 11.26407 -19.55155      15.62729  -25.79873      
20.66524  -11.20744      23.88297  26.61452 12.82690 32.92966 15.21307 
-6.315142      19.89892 
1 1 1 -21 7  19 o 53.94455 14.64643 35.24126       16.48030  28.76300       
22.04449  43.44942       24.81385  48.82728 17.49378 57.70279 18.59610 
-8.875504      25.53130 
1 1 1 -21 7  20 o 106.5983 10.15426 125.8333       21.74548  121.2511       
25.43635  138.2760       41.91520  102.5960 12.44677 99.19267 21.40753 
3.403290       24.76296 
1 1 1 -21 7  21 o 36.44601 14.74477 11.74731       16.94806  31.95085       
24.25567  -7.525963      23.69066  49.34804 18.24931 32.78131 15.14705 
16.56672       23.71646 
1 1 1 -21 8  1  o 67.55559 11.27937 53.07571       14.94886  70.38818       
29.00050  46.81108       17.44511  69.28359 19.66779 61.05501 14.30167 
8.228580       24.31789 
1 1 1 -21 8  2  o 91.86864 8.636874 91.84417       15.94581  96.04309       
19.17025  82.41505       28.72728  92.67985 10.34831 78.57193 18.31724 
14.10792       21.03827 
1 1 1 -21 8  3  o 133.0329 5.854396 184.4094       15.83772  178.7928       
21.44228  191.1522       23.49388  129.2759 8.198904 133.2579 8.717874 
-3.982071      11.96760 
1 1 1 -21 8  4  o 34.19316 13.28819 9.994342       13.25249  13.58145       
18.03792  5.787017       19.53519  39.09286 15.41119 35.95858 15.28801 
3.134281       21.70778 
1 1 1 -21 8  5  o 44.86623 13.80775 23.09430       13.83068  21.42757       
18.74089  25.08778       20.49578  44.48450 16.10527 47.23602 16.87397 
-2.751522      23.32618 
1 1 1 -21 8  6  o 144.9539 7.047612 219.1974       20.77415  224.5254       
37.92936  216.9142       24.82954  141.7118 13.31813 143.1057 8.571651 
-1.393845      15.83811 
1 1 1 -21 8  7  o 30.41580 13.52659 -3.242356      16.80874  -60.05004      
28.82751  26.01989       20.68985  27.36608 13.57896 48.40815 16.98747 
-21.04207      21.74770 
1 1 1 -21 8  8  o 27.19264 12.88043 -19.01682      18.99624  -28.38994      
28.77106  -11.77281      25.29319  32.85696 15.64610 34.46459 15.82517 
-1.607624      22.25391 
1 1 1 -21 8  9  o 40.53592 16.54381 10.88853       21.55766  20.63766       
31.03819  1.802291       29.96442  49.35167 19.95807 41.83353 18.35355 
7.518147       27.11416 
1 1 1 -21 8  10 o 148.5765 9.137360 233.3652       27.47335  270.2242       
40.97659  203.2660       37.02900  156.9845 12.95157 135.5173 13.62126 
21.46722       18.79579 
1 1 1 -21 8  11 o 28.47928 13.02055 -8.765248      16.87105  -42.76904      
30.23591  6.607866       20.33014  31.25290 15.17078 37.79255 15.80452 
-6.539648      21.90743 
1 1 1 -21 8  12 o 100.6069 9.617290 107.8698       19.43607  133.4825       
36.10336  97.41759       23.06338  107.1350 17.15011 94.19823 12.33657 
12.93681       21.12622 
1 1 1 -21 8  13 o 37.82330 14.10950 13.17630       14.56153  24.36425       
20.24778  1.191138       20.95675  47.56144 16.79481 35.80865 15.53500 
11.75279       22.87797 
1 1 1 -21 8  14 o 58.02127 13.22855 38.22111       15.26155  37.43171       
21.49407  39.02373       21.67323  56.29272 17.19469 57.37809 17.20852 
-1.085377      24.32675 
1 1 1 -21 8  15 o 39.21638 14.49805 14.84440       15.30641  -0.4551991     
21.06003  31.97546       22.28492  35.04708 15.38119 52.50130 17.65647 
-17.45422      23.41649 
1 1 1 -21 8  16 o 49.43385 15.76759 28.32513       17.87453  25.68312       
21.53936  34.16899       32.03431  48.19113 17.28940 54.78731 20.82056 
-6.596184      27.06324 
1 1 1 -21 8  17 o 52.86081 14.49442 32.89469       16.04686  41.14862       
21.74273  23.02033       23.78143  57.94012 17.20424 46.90402 17.91185 
11.03610       24.83587 
1 1 1 -21 8  18 o 102.7762 8.546355 113.0725       17.69981  86.89784       
24.40024  142.1417       25.71401  86.15534 14.43793 113.2632 11.31570 
-27.10784      18.34390 
1 1 1 -21 8  19 o 77.64958 11.53215 68.19550       17.65648  55.75675       
23.82704  83.34451       26.29505  65.85876 17.49487 82.14364 16.31681 
-16.28488      23.92298 
1 1 1 -21 8  20 o 116.0641 9.681356 148.2152       22.64143  150.2841       
26.53820  142.6809       43.40404  115.1414 11.48748 99.59995 22.01550 
15.54149       24.83232 
1 1 1 -21 9  1  o 56.11267 13.12257 38.72927       14.70648  39.30241       
25.92695  38.45739       17.85718  52.12687 18.93213 54.11567 15.45815 
-1.988800      24.44136 
1 1 1 -21 9  2  o 105.7453 7.641647 120.0132       16.32171  116.1393       
19.69450  128.5088       29.16532  102.5243 9.556533 103.1397 14.28948 
-0.6153336     17.19060 
1 1 1 -21 9  3  o 42.59315 13.58591 21.26399       13.27028  19.37188       
18.16900  23.42747       19.42825  42.06248 15.74688 44.89045 16.37561 
-2.827976      22.71838 
1 1 1 -21 9  4  o 85.50398 10.11031 80.18970       17.23904  86.70184       
20.55940  64.76944       31.63692  87.83263 11.81003 68.92101 20.81845 
18.91162       23.93501 
1 1 1 -21 9  5  o 129.5522 9.634390 180.8298       25.20012  146.7601       
34.72311  218.7442       36.62998  111.6391 15.73123 139.3684 13.07766 
-27.72930      20.45719 
1 1 1 -21 9  6  o 44.50675 16.13223 21.17107       18.81168  16.25936       
27.17748  25.68885       26.06486  45.13194 18.51529 49.14347 18.75564 
-4.011536      26.35507 
1 1 1 -21 9  7  o 146.9977 6.963036 225.0794       20.81423  256.7909       
39.12711  212.5638       24.58084  152.3990 12.74229 141.7576 8.567302 
10.64133       15.35463 
1 1 1 -21 9  8  f 45.05056 13.32335 22.91504       13.05963  21.38274       
18.49730  24.43803       18.44104  44.90533 16.03140 46.95285 16.06035 
-2.047516      22.69230 
1 1 1 -21 9  9  o 81.12355 9.329047 70.37854       15.10973  61.97428       
20.73663  79.89112       22.06163  73.68456 14.35526 84.51642 13.27391 
-10.83186      19.55173 
1 1 1 -21 9  10 o 24.23228 11.31549 -11.46995      13.76786  -7.232819      
19.50317  -15.67898      19.43839  31.38109 14.21066 28.58573 13.37985 
2.795357       19.51828 
1 1 1 -21 9  11 o 46.63205 14.35227 24.48177       14.94273  62.12038       
21.29614  -12.01980      20.97200  73.67776 14.72876 31.05585 14.31525 
42.62192       20.53930 
1 1 1 -21 9  12 o 121.6011 8.368796 155.7021       20.56836  195.2497       
37.54393  138.7420       24.58631  132.2152 14.18556 113.4756 10.78429 
18.73966       17.81940 
1 1 1 -21 9  13 f 54.78176 15.69381 34.98215       18.37932  84.39979       
33.35061  13.42757       22.02585  82.47818 20.07407 41.98829 16.87140 
40.48989       26.22237 
1 1 1 -21 9  14 o 40.94479 14.58156 17.22553       15.29392  12.57769       
20.93735  22.54247       22.39377  40.88079 16.44118 46.90066 17.49700 
-6.019875      24.00953 
1 1 1 -21 9  15 o 141.0709 6.644642 206.7957       19.06165  197.4303       
25.87625  217.9078       28.18611  136.0976 9.407473 142.7555 9.768059 
-6.657928      13.56155 
1 1 1 -21 9  16 o 58.50815 14.25878 39.92614       16.80989  42.84689       
22.59485  36.30558       25.15649  59.21889 17.52766 54.88953 18.75812 
4.329357       25.67267 
1 1 1 -21 9  17 o 41.99754 18.51999 4.124104       30.86706  0.000000       
0.000000  4.124104       30.86706  ?        ?        41.99754 18.51999 
0.000000       18.51999 
1 1 1 -21 9  18 o 39.45681 14.76990 15.85403       15.98363  -2.014166      
22.26510  34.85405       22.95944  34.54107 15.44966 52.89319 17.92103 
-18.35213      23.66127 
1 1 1 -21 9  19 o 29.05897 13.83603 -20.19189      22.48629  -37.10652      
28.17218  9.500692       37.32615  29.65935 14.45284 44.93800 20.05882 
-15.27865      24.72329 
1 1 1 -21 9  20 o 42.85599 15.99158 21.19216       18.70808  -9.931697      
29.55136  42.00872       24.16770  35.77403 16.66232 55.67224 18.37879 
-19.89820      24.80752 
1 1 1 -21 10 1  o 46.90088 16.60418 29.46104       19.80299  7.673793       
28.07634  51.03027       27.93551  38.76555 17.34344 57.66888 19.76679 
-18.90333      26.29679 
1 1 1 -21 10 2  o 52.64963 13.80293 34.20978       14.95884  31.58451       
17.49374  41.35077       28.85193  49.65555 15.57000 53.84385 19.90508 
-4.188301      25.27127 
1 1 1 -21 10 3  o 78.25098 8.776889 66.67143       13.72560  78.72896       
19.21941  54.12104       19.60828  83.10800 11.69581 66.47128 14.87739 
16.63672       18.92429 
1 1 1 -21 10 4  f 30.41894 13.33487 0.8826537E-01  15.78951  -11.25791      
28.50937  5.108361       18.96352  35.65892 16.52570 35.07186 14.99036 
0.5870590      22.31165 
1 1 1 -21 10 5  f 31.21794 13.55594 1.017397       15.98683  20.20454       
29.51269  -6.950864      19.01890  47.05949 19.29885 30.53902 13.90865 
16.52047       23.78857 
1 1 1 -21 10 6  o 139.1630 6.001982 200.8981       16.98517  202.5957       
23.14106  198.9153       25.00885  138.3078 8.265658 136.4959 9.061455 
1.811844       12.26503 
1 1 1 -21 10 7  o 62.14934 11.32308 42.95183       13.78317  23.16514       
18.32028  68.75900       20.92260  45.79498 15.98991 77.63645 13.75608 
-31.84147      21.09282 
1 1 1 -21 10 8  o 47.94123 13.36132 26.25691       13.51285  42.93263       
19.51764  10.90493       18.72697  60.26936 15.75012 38.62619 15.54395 
21.64317       22.12873 
1 1 1 -21 10 9  o 64.37918 11.32535 45.78188       14.28549  53.50055       
19.08997  35.95855       21.53592  68.31643 14.20451 55.13330 17.27345 
13.18313       22.36381 
1 1 1 -21 10 10 o 115.2863 6.904862 138.5903       16.11315  155.0430       
22.68632  121.8410       22.88992  120.7614 9.309965 106.2006 10.74697 
14.56088       14.21875 
1 1 1 -21 10 11 o 24.02369 11.34118 -14.43297      14.49965  -3.886328      
19.99397  -26.13272      21.05864  32.97784 14.70335 27.27045 13.09304 
5.707390       19.68797 
1 1 1 -21 10 12 o 117.5089 7.986331 145.1444       18.97075  142.7268       
31.67016  146.4973       23.69148  112.7615 14.12107 116.9556 10.05927 
-4.194099      17.33764 
1 1 1 -21 10 13 o 55.35744 16.79027 36.17860       20.54755  0.000000       
0.000000  36.17860       20.54755  ?        ?        55.35744 16.79027 
0.000000       16.79027 
1 1 1 -21 10 14 o 68.64940 15.71619 55.39810       21.46666  0.000000       
0.000000  55.39810       21.46666  ?        ?        68.64940 15.71619 
0.000000       15.71619 
1 1 1 -21 10 15 o 56.56717 15.03772 37.61519       17.59568  54.21008       
28.04952  26.84767       22.59415  65.59475 19.55526 49.11893 17.69864 
16.47582       26.37518 
1 1 1 -21 10 16 f 59.73995 14.14197 41.67882       16.91370  36.01044       
23.38013  47.90229       24.49818  54.48289 18.08122 61.99389 18.22360 
-7.510998      25.67158 
1 1 1 -21 10 17 f 36.62805 14.87534 9.742892       17.32079  16.79685       
20.72685  -6.587202      31.53634  42.19088 16.55577 39.04130 17.83089 
3.149578       24.33175 
1 1 1 -21 10 18 o 61.97467 13.45211 45.17723       16.46686  50.11537       
22.40519  39.37650       24.28334  62.94280 17.07244 55.37393 18.42957 
7.568871       25.12204 
1 1 1 -21 10 19 o 48.86585 16.61576 29.74896       19.73742  13.31960       
22.96714  76.15376       38.59919  40.49344 16.85449 70.31506 23.22742 
-29.82162      28.69820 
1 1 1 -21 10 20 o 95.69729 9.367551 100.9341       17.99584  108.9494       
24.92383  92.20428       26.01088  96.11278 13.09281 86.13617 15.41573 
9.976608       20.22539 
1 1 1 -21 11 1  o 83.02045 12.53782 83.02611       20.50748  138.5316       
29.49445  31.07910       28.53334  105.4221 14.11214 47.23033 19.12333 
58.19181       23.76666 
1 1 1 -21 11 2  o 33.96264 12.83909 11.75611       12.14120  16.24799       
16.67585  6.689022       17.71142  38.75059 14.94872 34.02037 14.51259 
4.730217       20.83458 
1 1 1 -21 11 3  o 84.92521 8.257805 78.02596       14.08074  73.93620       
19.25108  82.73106       20.64864  79.92828 12.23337 84.49064 12.38572 
-4.562363      17.40866 
1 1 1 -21 11 4  o 67.09805 12.33415 51.86319       16.20931  63.44749       
30.28709  47.21327       19.18869  67.89661 20.33818 62.06021 15.30156 
5.836391       25.45151 
1 1 1 -21 11 5  o 64.32500 13.17682 47.99671       16.65658  20.99409       
29.70569  60.37989       20.11652  47.20719 19.36092 71.60485 14.31562 
-24.39766      24.07867 
1 1 1 -21 11 6  o 47.61815 12.78448 26.14140       12.64005  20.35347       
17.65826  32.22351       18.10144  43.39114 15.64486 51.92185 15.76165 
-8.530708      22.20791 
1 1 1 -21 11 7  o 125.5621 6.491165 164.3907       16.51754  178.0688       
23.22769  150.3980       23.49322  129.3150 8.886896 118.1788 9.865998 
11.13620       13.27836 
1 1 1 -21 11 8  o 95.80460 8.461695 97.43299       16.31579  86.02914       
25.19801  105.6659       21.41004  86.34141 14.88923 98.49688 10.87026 
-12.15547      18.43506 
1 1 1 -21 11 9  o 82.21200 9.998017 73.00797       16.37067  119.3347       
27.41321  47.32881       20.40961  103.2301 13.37307 63.23254 15.89117 
39.99752       20.76940 
1 1 1 -21 11 10 o 32.38087 13.48063 4.628388       14.69689  10.94705       
22.30494  -0.2197984     19.53791  40.76937 16.75516 33.97380 14.86485 
6.795574       22.39864 
1 1 1 -21 11 11 o 25.30922 11.67225 -9.002753      13.96920  -14.11808      
19.09568  -3.113910      20.48866  28.65827 13.36344 33.59094 14.93657 
-4.932667      20.04202 
1 1 1 -21 11 12 o 181.5047 5.526704 339.8944       20.39884  316.2516       
27.82676  367.3584       29.99133  173.7848 7.874074 187.3011 7.874157 
-13.51627      11.13568 
1 1 1 -21 11 13 o 38.81140 13.97582 15.12831       14.08660  20.35179       
19.61706  9.567542       20.24050  44.53135 16.42297 38.86145 15.96482 
5.669907       22.90392 
1 1 1 -21 11 14 o 54.27804 15.45804 34.68724       17.88456  36.94208       
32.88023  33.73981       21.31321  56.27501 21.16069 53.37537 17.23798 
2.899643       27.29328 
1 1 1 -21 11 15 o 89.86033 9.217138 86.62914       16.60443  96.57883       
22.38425  74.45591       24.75941  93.26322 12.08697 79.34699 15.89867 
13.91623       19.97154 
1 1 1 -21 11 16 o 58.10048 13.96419 39.51419       16.29411  38.25591       
21.80581  41.10504       24.51873  55.83778 17.36296 57.39700 18.48390 
-1.559227      25.35995 
1 1 1 -21 11 17 o 26.71497 12.52050 -13.18487      17.11657  8.169168       
20.73358  -58.88264      30.33066  37.74375 15.88263 28.10039 13.94080 
9.643364       21.13300 
1 1 1 -21 11 18 o 83.89253 12.43320 80.60910       20.56874  75.50014       
23.69440  96.23209       41.43447  78.95338 15.31043 79.99385 23.74909 
-1.040466      28.25648 
1 1 1 -21 11 19 o 88.93425 10.30303 88.14519       18.28800  90.78188       
24.50407  84.82997       27.47671  86.91383 14.36621 81.34041 17.15155 
5.573425       22.37328 
1 1 1 -21 11 20 o 55.32017 18.83845 42.80226       25.37156  0.000000       
0.000000  42.80226       25.37156  ?        ?        55.32017 18.83845 
0.000000       18.83845 
1 1 1 -21 12 1  o 35.02417 14.23623 11.80217       15.88143  65.35722       
28.63834  -11.98163      19.08483  64.53841 19.87012 27.52533 12.99949 
37.01308       23.74466 
1 1 1 -21 12 2  o 89.94256 8.636557 88.96031       15.60214  70.28241       
18.75632  130.9145       28.11068  76.91554 12.41449 103.8782 13.63695 
-26.96269      18.44142 
1 1 1 -21 12 3  o 28.26899 12.71870 -2.906835      15.33185  15.67682       
30.75726  -9.051318      17.68580  43.67632 18.88414 28.02139 12.99672 
15.65493       22.92434 
1 1 1 -21 12 4  o 96.54651 11.27952 104.8149       21.72771  0.000000       
0.000000  104.8149       21.72771  ?        ?        96.54651 11.27952 
0.000000       11.27952 
1 1 1 -21 12 5  o 68.77621 11.57039 53.44676       15.60769  53.02798       
24.56714  53.73018       20.21044  64.21618 18.05787 66.64173 15.24421 
-2.425552      23.63202 
1 1 1 -21 12 6  o 30.11405 12.68414 3.422905       13.24407  -13.22074      
18.40165  21.30959       19.07645  27.95034 13.06180 44.26579 16.21466 
-16.31544      20.82128 
1 1 1 -21 12 7  o 43.32633 13.63627 21.32453       13.40427  25.73195       
18.50394  16.45793       19.44398  47.32169 16.08819 41.71144 16.12754 
5.610245       22.77998 
1 1 1 -21 12 8  o 35.17356 13.13336 11.48903       12.62221  -9.137691      
17.68570  32.90285       18.01998  28.83053 13.23625 52.72313 15.66393 
-23.89260      20.50749 
1 1 1 -21 12 9  o 44.84939 12.99578 22.85506       12.53859  18.95657       
17.30562  27.16317       18.19207  42.68475 15.47281 48.60055 15.94083 
-5.915806      22.21527 
1 1 1 -21 12 10 o 51.23878 13.00470 30.02063       13.57344  26.51643       
18.83901  33.80341       19.57353  48.29693 16.23411 53.48621 16.42043 
-5.189278      23.09062 
1 1 1 -21 12 11 o 58.95635 11.97344 39.00102       13.86499  46.79590       
19.08008  30.27941       20.18244  63.24035 15.05364 51.05880 16.79232 
12.18154       22.55203 
1 1 1 -21 12 12 o 26.30065 11.90607 -5.646263      13.67721  -3.349796      
18.46211  -8.439747      20.36218  31.76486 14.14817 31.50319 14.36467 
0.2616673      20.16220 
1 1 1 -21 12 13 o 43.80456 14.24100 21.45794       14.53109  3.627991       
20.12386  40.88268       21.00457  35.91519 15.39884 58.30927 16.79851 
-22.39408      22.78847 
1 1 1 -21 12 14 o 71.30482 13.21754 57.84241       18.45979  88.20300       
35.44791  46.54530       21.62317  82.39767 21.07220 62.00991 16.75198 
20.38776       26.91963 
1 1 1 -21 12 15 o 73.84258 13.51667 62.51473       19.54885  61.60572       
32.26696  63.04187       24.57178  68.25044 21.10442 71.86390 17.06783 
-3.613457      27.14235 
1 1 1 -21 12 16 o 46.72702 14.99172 25.51280       16.14069  17.77458       
21.92791  34.66339       23.84521  43.20900 17.00523 53.18913 18.26089 
-9.980129      24.95271 
1 1 1 -21 12 17 o 51.30232 14.58258 31.63734       15.93189  50.26756       
22.00114  11.09736       23.10129  63.32194 16.80652 40.14062 16.82145 
23.18132       23.77857 
1 1 1 -21 12 18 o 60.69828 18.16028 48.63283       24.15847  48.63283       
24.15847  0.000000       0.000000  60.69828 18.16028 ?        ?        
0.000000       18.16028 
1 1 1 -21 12 19 o 67.58533 12.94125 54.10345       17.13834  76.02483       
23.88660  30.84579       24.60387  78.07285 15.59117 49.11596 18.33682 
28.95688       24.06914 
1 1 1 -21 12 20 o 65.35966 13.46096 51.92920       17.29539  65.71645       
24.31068  37.79942       24.61082  70.19843 17.17168 52.23193 18.50835 
17.96650       25.24729 
1 1 1 -21 13 1  o 49.59271 13.81379 31.87823       14.44782  0.000000       
0.000000  31.87823       14.44782  ?        ?        49.59271 13.81379 
0.000000       13.81379 
1 1 1 -21 13 2  o 105.8667 7.607057 121.3414       16.26756  114.1602       
19.30409  138.9351       30.21556  100.9752 9.513340 105.5953 14.45050 
-4.620079      17.30088 
1 1 1 -21 13 3  o 34.43998 14.06302 9.575130       15.58706  8.180368       
29.43097  10.11886       18.37580  40.38753 17.93293 36.20661 15.07356 
4.180923       23.42653 
1 1 1 -21 13 4  o 82.62775 8.157032 73.67631       13.52706  68.69893       
18.12111  79.94048       20.32902  77.36066 11.90031 83.15221 12.40165 
-5.791550      17.18774 
1 1 1 -21 13 5  o 108.1999 6.875084 123.4668       15.04861  95.51314       
19.96997  160.1991       22.89190  92.69780 10.79616 121.5299 9.334221 
-28.83206      14.27181 
1 1 1 -21 13 6  o 59.86935 11.79213 40.77027       13.84569  69.08038       
19.84414  13.91480       19.32760  77.54641 13.04727 39.84806 15.87508 
37.69835       20.54871 
1 1 1 -21 13 7  o 73.63176 9.536937 58.91793       13.94442  61.18755       
19.45680  56.52103       19.99497  72.76606 13.65038 69.25231 14.65534 
3.513748       20.02777 
1 1 1 -21 13 8  o 180.6156 5.100006 336.5801       18.73171  329.0479       
25.94732  344.7780       27.06958  177.3112 7.196225 181.3968 7.338387 
-4.085526      10.27801 
1 1 1 -21 13 9  o 37.24887 13.70168 13.55774       13.64200  2.706760       
18.96306  25.19746       19.64017  34.55188 14.88358 47.30527 16.55371 
-12.75340      22.26087 
1 1 1 -21 13 10 o 122.4816 6.478084 156.3347       16.07762  157.2548       
21.84079  155.2463       23.75386  121.5499 8.897974 120.1992 9.803489 
1.350708       13.23942 
1 1 1 -21 13 11 o 95.44278 8.070389 96.39819       15.51670  112.1758       
21.13886  77.96512       22.84860  101.7672 10.35905 82.52943 14.12211 
19.23775       17.51411 
1 1 1 -21 13 12 o 106.8799 7.081309 119.7065       15.30361  130.6662       
21.30375  108.0207       21.99809  110.3550 9.588503 99.40814 11.07009 
10.94691       14.64535 
1 1 1 -21 13 13 o 148.1067 5.919601 227.2629       17.82866  233.6112       
25.01556  220.7095       25.41628  148.6199 8.310459 144.1724 8.710088 
4.447586       12.03866 
1 1 1 -21 13 14 o 44.08324 14.89333 21.78317       15.85648  3.215519       
21.52744  43.80375       23.44382  36.48292 15.78627 59.46942 17.91163 
-22.98650      23.87536 
1 1 1 -21 13 15 o 122.6418 8.700463 160.5280       21.55781  148.4757       
36.14295  167.1835       26.85853  111.5714 16.42130 123.6286 10.79164 
-12.05723      19.64990 
1 1 1 -21 13 16 o 60.86353 13.83754 43.63128       16.73882  56.93768       
23.21058  29.21090       24.16263  67.65506 16.91569 49.75912 18.24537 
17.89594       24.88040 
1 1 1 -21 13 17 o 99.24638 10.12095 108.3171       20.14036  91.60384       
23.67413  152.1035       38.31889  88.65277 13.56329 110.0722 17.72068 
-21.41945      22.31559 
1 1 1 -21 13 18 o 28.91442 13.72394 -18.06246      21.78209  -18.06246      
21.78209  0.000000       0.000000  28.91442 13.72394 ?        ?        
0.000000       13.72394 
1 1 1 -21 13 19 o 126.8759 7.738906 172.8564       19.87142  151.8522       
27.39657  196.1737       28.86581  114.8490 11.90337 131.8968 10.85861 
-17.04774      16.11209 
1 1 1 -21 13 20 o 40.45934 15.74831 18.36293       18.63652  4.840883       
29.25111  27.60237       24.17931  38.86713 17.51978 46.37407 17.96930 
-7.506947      25.09658 
1 1 1 -21 14 1  o 47.71059 12.59577 28.73087       12.40038  33.81628       
28.31747  27.52431       13.79321  47.05265 19.05104 45.91256 13.71882 
1.140095       23.47654 
1 1 1 -21 14 2  o 28.89521 13.37610 -6.646536      18.60097  -9.003260      
28.78098  -4.956023      24.37589  34.29840 16.12594 33.06271 15.30779 
1.235687       22.23453 
1 1 1 -21 14 3  o 32.91585 14.36446 3.774365       18.13916  -4.602543      
25.87588  11.86831       25.43510  34.59170 15.92889 39.79460 17.18933 
-5.202904      23.43507 
1 1 1 -21 14 4  o 65.90025 10.27957 48.90182       13.32612  53.52477       
18.76618  44.19941       18.92680  66.13794 14.36446 59.07152 15.54511 
7.066422       21.16573 
1 1 1 -21 14 5  o 36.93167 13.20305 14.61940       12.55038  20.55177       
18.31780  9.370734       17.22995  42.84140 15.85586 35.83432 14.72648 
7.007084       21.63972 
1 1 1 -21 14 6  o 40.99847 13.40587 19.15339       12.86988  9.585896       
17.35834  30.83322       19.17907  36.29593 14.83297 50.22916 16.36235 
-13.93324      22.08491 
1 1 1 -21 14 7  o 85.87785 8.263290 78.84535       14.25250  65.61243       
19.48436  94.07455       20.90244  75.53063 13.16416 91.93678 11.42685 
-16.40614      17.43182 
1 1 1 -21 14 8  o 66.20602 10.64789 48.51684       13.84955  72.30405       
19.10635  22.18020       20.10417  80.24191 12.08395 45.17424 16.63081 
35.06768       20.55737 
1 1 1 -21 14 9  o 95.56049 7.807175 96.66273       15.03880  73.22237       
20.44120  124.3207       22.20418  80.35600 12.94950 106.9368 10.33976 
-26.58080      16.57106 
1 1 1 -21 14 10 o 106.2272 7.196141 118.5505       15.45316  112.0508       
21.81062  125.1022       21.89778  101.2925 10.75306 107.4782 10.13889 
-6.185768      14.77922 
1 1 1 -21 14 11 o 54.64100 12.66425 34.17963       13.79699  41.89025       
18.70047  24.96870       20.43901  59.32198 15.37543 47.25645 16.85385 
12.06553       22.81351 
1 1 1 -21 14 12 o 41.83899 14.10398 19.30556       14.21990  20.32828       
19.63941  18.17859       20.61608  44.14452 16.40205 43.23687 16.63756 
0.9076500      23.36312 
1 1 1 -21 14 13 o 101.8287 7.729123 109.5825       15.88546  107.2331       
21.57687  112.3631       23.47365  98.91448 10.90840 100.7637 11.67191 
-1.849197      15.97582 
1 1 1 -21 14 14 o 42.96690 14.48163 20.72477       14.99158  42.14573       
19.72479  -8.573618      23.06826  58.93309 16.03285 33.22249 15.20253 
25.71060       22.09455 
1 1 1 -21 14 15 o 125.4556 8.496319 167.9827       21.54787  175.7430       
38.14435  164.3456       26.11366  121.7018 15.78457 122.5109 10.58593 
-0.8090897     19.00565 
1 1 1 -21 14 16 o 43.41505 16.46965 20.14364       20.02240  -5.376109      
36.25847  31.33975       24.01623  41.20075 18.92902 50.62099 18.24624 
-9.420238      26.29131 
1 1 1 -21 14 17 o 100.5780 10.10990 111.6198       20.39761  102.9813       
23.73016  136.0602       39.91496  94.55255 12.65950 100.5368 20.22421 
-5.984276      23.85962 
1 1 1 -21 14 18 o 146.6628 7.900537 230.6792       23.47596  242.4639       
28.58427  206.2572       41.14894  148.6716 9.504416 128.8492 16.05267 
19.82242       18.65535 
1 1 1 -21 14 19 o 71.13323 12.26200 59.57511       17.09673  57.78001       
23.89589  61.45769       24.47124  65.27946 17.59992 67.36301 17.65141 
-2.083549      24.92648 
1 1 1 -21 15 1  o 71.93069 9.368309 59.31464       13.37817  70.01274       
30.15845  56.69376       14.92721  63.93820 20.49028 68.87962 11.02918 
-4.941414      23.27003 
1 1 1 -21 15 2  o 125.0608 7.116216 168.8210       18.02281  180.5313       
35.60780  164.7878       20.89731  118.1626 15.16907 122.0991 8.468746 
-3.936478      17.37298 
1 1 1 -21 15 3  o 32.61691 13.28933 8.713236       13.88069  6.540131       
16.59448  13.77593       25.32877  33.03975 14.06974 40.12973 17.24276 
-7.089977      22.25467 
1 1 1 -21 15 4  o 30.75095 12.67816 6.269699       12.82129  23.33438       
17.60842  -12.98728      18.70533  43.77944 15.64019 27.56060 12.97128 
16.21884       20.31920 
1 1 1 -21 15 5  o 58.50213 11.47766 39.42476       13.16679  42.97891       
18.44413  35.73121       18.80235  58.66806 15.30078 53.07367 16.05333 
5.594398       22.17709 
1 1 1 -21 15 6  o 43.69812 13.35404 22.42591       12.96267  38.18419       
18.22447  6.290205       18.44143  55.55458 15.52879 35.11922 14.88920 
20.43535       21.51352 
1 1 1 -21 15 7  o 41.88543 13.56122 20.10551       13.18462  19.48415       
18.59865  20.73323       18.69345  42.66615 15.94001 43.47048 16.03171 
-0.8043251     22.60751 
1 1 1 -21 15 8  o 63.28444 10.81673 44.67870       13.42010  50.21852       
18.59915  38.66217       19.38286  65.12074 14.42502 56.18413 16.12271 
8.936615       21.63384 
1 1 1 -21 15 9  o 81.07899 9.071092 70.91056       14.69984  74.60040       
20.25349  66.80318       21.36874  81.08286 12.70041 75.53799 14.43743 
5.544868       19.22862 
1 1 1 -21 15 10 o 128.2520 6.319557 171.2068       16.48171  193.9856       
23.07599  147.4855       23.54852  135.0674 8.443910 116.6577 10.02392 
18.40977       13.10643 
1 1 1 -21 15 11 o 89.21341 8.604399 85.11391       15.41639  93.21865       
21.57093  76.65224       22.04080  91.46317 11.87809 81.63312 13.76707 
9.830055       18.18299 
1 1 1 -21 15 12 o 31.98699 13.16701 5.744081       13.80216  -0.5455182     
18.67702  13.31154       20.48666  32.76720 14.43010 40.37415 16.25416 
-7.606949      21.73535 
1 1 1 -21 15 13 o 153.7465 5.966547 245.5309       18.65433  242.3534       
25.55951  249.1526       27.28763  151.0231 8.355054 152.7568 8.821981 
-1.733749      12.15049 
1 1 1 -21 15 14 o 36.28812 13.93421 12.04010       14.44131  10.53512       
19.64013  13.81152       21.30785  38.31049 15.73095 40.79874 16.52335 
-2.488247      22.81412 
1 1 1 -21 15 15 o 52.26160 14.33302 32.70851       15.68961  61.15211       
22.47789  5.684117       21.90994  70.65157 16.01494 37.20999 16.01353 
33.44157       22.64755 
1 1 1 -21 15 16 o 53.27171 18.41304 36.49274       24.26405  26.49608       
36.22146  44.63029       32.68022  50.07653 21.02828 57.14567 21.17284 
-7.069134      29.84088 
1 1 1 -21 15 17 o 41.66267 15.88644 18.89780       18.68974  30.30027       
22.16360  -9.167214      34.77150  49.04368 17.54419 38.79515 18.07103 
10.24853       25.18652 
1 1 1 -21 15 18 o 88.01595 9.900465 86.35333       17.41261  80.28774       
23.87005  93.25213       25.45677  80.40540 15.15464 87.01479 14.92387 
-6.609390      21.26934 
1 1 1 -21 15 19 o 98.13678 10.34689 108.9116       20.33750  99.76367       
24.50800  129.1423       36.44618  90.61861 13.72969 96.13560 19.31342 
-5.516998      23.69625 
1 1 1 -21 16 1  o 48.85509 12.67843 30.69404       12.70493  51.06264       
30.39111  26.38049       13.98567  53.09884 20.25548 44.31754 13.92572 
8.781300       24.58068 
1 1 1 -21 16 2  o 82.88702 9.583196 78.39680       15.85499  106.4620       
32.13675  69.36794       18.22780  84.32909 19.17392 75.40054 12.31305 
8.928543       22.78707 
1 1 1 -21 16 3  o 49.23679 12.39976 29.71852       12.40809  25.48275       
16.82301  34.77182       18.37490  44.33529 15.33146 50.72274 15.96589 
-6.387451      22.13511 
1 1 1 -21 16 4  o 33.54668 13.57285 9.499411       14.36224  -7.125402      
17.12865  48.86340       26.35691  27.96066 12.90554 58.03818 19.19477 
-30.07751      23.12990 
1 1 1 -21 16 5  o 30.20473 12.53359 5.418825       12.64521  22.48361       
17.85944  -11.73642      17.90671  43.45529 15.72360 27.37216 12.82139 
16.08313       20.28842 
1 1 1 -21 16 6  o 43.74951 13.42210 22.69767       13.08053  28.48881       
18.15493  16.44621       18.86269  48.05301 15.93247 40.41315 15.81207 
7.639854       22.44694 
1 1 1 -21 16 7  o 83.57253 8.109859 74.95271       13.60900  61.36200       
18.96248  89.38789       19.54271  72.41055 13.37035 89.48845 10.96870 
-17.07790      17.29389 
1 1 1 -21 16 8  o 33.64993 13.17480 9.516455       13.10203  12.51728       
18.08500  6.201671       19.00754  38.33026 15.32790 35.64230 15.11377 
2.687962       21.52604 
1 1 1 -21 16 9  o 38.63754 13.77163 15.86583       13.64489  3.483284       
18.78508  29.69590       19.85273  34.36576 14.80845 49.66235 16.66530 
-15.29659      22.29400 
1 1 1 -21 16 10 o 78.76578 9.449614 67.40727       14.83358  38.22974       
20.04540  102.7245       22.05383  55.73531 16.51212 96.05813 11.51991 
-40.32282      20.13352 
1 1 1 -21 16 11 o 97.49203 7.841732 100.9259       15.41500  106.1764       
20.94618  94.72252       22.76775  98.30767 10.64788 91.50707 12.56710 
6.800598       16.47147 
1 1 1 -21 16 12 o 39.68778 13.78762 17.14378       13.61307  36.16436       
19.97545  0.6497936      18.60149  54.27489 16.57565 33.07254 14.48651 
21.20235       22.01388 
1 1 1 -21 16 13 o 49.95614 13.56037 29.37636       14.12876  36.00224       
19.58893  22.19200       20.39778  54.11209 16.38977 44.96553 16.71402 
9.146568       23.40904 
1 1 1 -21 16 14 o 76.75120 10.26059 65.01521       15.61345  81.75120       
21.70556  47.06986       22.47612  84.26910 13.09118 60.93629 17.32036 
23.33280       21.71115 
1 1 1 -21 16 15 o 81.40826 9.976817 73.03142       16.17059  91.99879       
21.83822  50.00785       24.06024  89.81352 12.27868 61.95561 18.01664 
27.85791       21.80288 
1 1 1 -21 16 16 o 53.93193 18.07930 38.12621       23.36428  18.54312       
33.80438  56.03735       32.32914  46.25002 19.89745 62.23808 21.26482 
-15.98806      29.12217 
1 1 1 -21 16 17 o 123.5525 7.862055 163.9387       19.65055  172.6863       
27.78717  155.1875       27.79298  123.5561 11.18044 116.3080 11.91933 
7.248055       16.34236 
1 1 1 -21 16 18 o 116.3463 8.129444 146.7186       19.11291  119.8023       
26.34839  176.6110       27.76682  100.1733 13.26048 124.5025 11.08313 
-24.32920      17.28224 
1 1 1 -21 16 19 o 60.10607 16.83702 49.27788       21.40055  15.84820       
27.98852  96.33220       33.20578  41.69708 18.02128 80.54935 20.28419 
-38.85228      27.13328 
1 1 1 -21 17 2  o 94.60529 8.346735 99.81336       15.89309  91.51563       
29.52256  103.1994       18.85906  77.52332 18.89840 94.48991 9.965127 
-16.96658      21.36477 
1 1 1 -21 17 3  f 30.91352 12.29653 8.689775       11.57951  3.093281       
15.99069  14.86002       16.79037  30.61026 13.41913 37.09118 14.79024 
-6.480911      19.97059 
1 1 1 -21 17 4  o 45.22320 14.10812 25.80903       14.38351  26.23379       
17.45363  24.90997       25.39254  45.11324 15.61528 44.81296 18.07668 
0.3002815      23.88731 
1 1 1 -21 17 5  o 68.60432 11.02376 54.06009       14.85835  47.80203       
18.16673  66.70516       25.82365  61.74700 14.68277 69.94154 18.03878 
-8.194534      23.25901 
1 1 1 -21 17 6  o 50.25325 12.52433 30.02778       12.75303  50.80746       
17.35999  5.666697       18.79656  65.03912 13.56483 34.62922 14.86586 
30.40991       20.12458 
1 1 1 -21 17 7  o 86.41110 7.975074 80.20084       13.85567  73.93277       
19.90526  86.09266       19.29858  79.84886 12.68285 87.47117 11.09926 
-7.622307      16.85373 
1 1 1 -21 17 8  o 136.4018 5.997279 194.1043       16.63512  205.2324       
23.40904  182.7517       23.64394  138.4002 8.356743 130.0512 8.995609 
8.348999       12.27828 
1 1 1 -21 17 9  o 112.1451 6.879681 132.5148       15.61338  147.4230       
21.77404  116.7362       22.40059  116.6969 9.251287 102.5673 10.90724 
14.12961       14.30224 
1 1 1 -21 17 10 o 20.06272 9.815233 -23.06873      13.37092  -25.01904      
18.67138  -21.01573      19.15664  24.91562 12.05326 26.31219 12.59439 
-1.396578      17.43272 
1 1 1 -21 17 11 o 81.67902 9.008976 72.22854       14.71469  51.85769       
20.11009  95.70319       21.58783  65.35901 15.38592 92.29628 11.76992 
-26.93727      19.37156 
1 1 1 -21 17 12 o 160.6194 5.871633 268.4270       19.17822  296.9997       
27.26712  240.4542       26.97935  167.3152 8.014059 149.5962 8.909044 
17.71901       11.98316 
1 1 1 -21 17 13 o 91.16372 8.621099 89.51241       15.79247  88.48944       
21.90047  90.62057       22.79418  87.97831 12.60116 88.72763 13.02056 
-0.7493210     18.11972 
1 1 1 -21 17 14 o 80.26154 9.952522 71.01692       15.89547  63.41952       
21.82013  79.60759       23.20269  72.12444 15.34860 81.75471 14.48674 
-9.630280      21.10557 
1 1 1 -21 17 15 o 99.13227 9.481769 107.6219       18.88103  117.0798       
22.78665  86.90326       33.72578  102.0699 11.16004 78.71047 20.76894 
23.35945       23.57743 
1 1 1 -21 17 16 o 103.3101 9.543200 117.5130       19.82220  103.0114       
23.30392  155.4608       37.69762  94.22990 12.46772 110.0986 17.41710 
-15.86870      21.41960 
1 1 1 -21 17 17 o 56.50867 16.12281 41.68032       19.43753  65.10234       
37.41614  33.02283       22.74798  63.24615 22.77708 49.85542 17.78040 
13.39073       28.89530 
1 1 1 -21 17 18 f 65.60802 14.42143 54.04384       18.71601  54.33020       
30.19246  53.86513       23.85152  59.33051 20.53781 62.06408 17.90674 
-2.733578      27.24799 
1 1 1 -21 17 19 o 53.65072 16.97459 40.17109       20.74808  6.941355       
26.88799  89.07956       32.62024  37.93656 16.97251 76.09035 20.58374 
-38.15379      26.67876 
1 1 1 -21 18 2  o 78.67993 8.592005 69.92197       13.52360  72.66625       
33.34541  69.38172       14.79496  62.03989 21.57743 77.45042 9.599461 
-15.41053      23.61641 
1 1 1 -21 18 3  o 33.49687 12.36257 12.61240       11.12001  27.24637       
15.20275  -4.225526      16.30743  45.26577 14.55243 27.66784 12.70525 
17.59793       19.31830 
1 1 1 -21 18 4  o 26.23206 11.47770 0.8348065      11.64878  -4.687809      
15.95950  7.131552       17.04138  27.53494 12.61645 33.30673 14.22248 
-5.771793      19.01193 
1 1 1 -21 18 5  o 48.84480 13.68296 29.78737       14.13340  25.60887       
17.42314  37.82750       24.16840  44.86583 15.59754 51.85923 18.34499 
-6.993408      24.07949 
1 1 1 -21 18 6  o 58.77034 12.63216 41.23058       14.64758  33.57408       
17.70538  57.83562       26.07413  51.14378 15.60229 64.30489 18.77152 
-13.16110      24.40905 
1 1 1 -21 18 7  o 61.32983 11.05931 43.02709       13.28534  36.94213       
18.36518  49.70701       19.24208  53.91600 15.75840 63.12423 15.17696 
-9.208229      21.87847 
1 1 1 -21 18 8  o 24.27302 11.15315 -6.550970      12.59279  -16.30292      
17.71611  3.407998       17.90316  26.04698 12.36700 33.23429 14.38838 
-7.187315      18.97283 
1 1 1 -21 18 9  o 34.79890 13.18653 11.66061       12.82644  30.00443       
17.83089  -8.009727      18.46435  49.34356 15.74934 29.32204 13.48500 
20.02151       20.73372 
1 1 1 -21 18 10 o 139.9120 5.906465 204.0911       16.80482  186.9570       
22.74650  224.6813       24.93523  131.9233 8.524537 144.6729 8.513207 
-12.74960      12.04751 
1 1 1 -21 18 11 o 82.81223 8.711679 74.20789       14.45061  80.90733       
20.24216  67.24519       20.63603  84.22939 12.17094 75.41409 13.97069 
8.815308       18.52868 
1 1 1 -21 18 12 o 57.18762 12.68610 38.26614       14.36699  25.95933       
19.58640  52.60032       21.13821  46.66146 16.51380 64.95082 16.08777 
-18.28936      23.05477 
1 1 1 -21 18 13 o 79.51291 9.515038 69.38892       15.07948  96.59963       
20.76167  39.00702       21.93813  92.70388 11.24320 55.01281 17.45984 
37.69107       20.76670 
1 1 1 -21 18 14 o 66.90697 13.32643 53.03963       17.49464  66.03776       
21.09235  24.38304       31.31820  73.88609 14.55597 47.68441 19.75066 
26.20167       24.53497 
1 1 1 -21 18 15 o 41.51278 15.54405 19.35264       17.70559  11.97571       
21.16782  36.53521       32.30594  38.77726 16.16390 52.27991 20.61983 
-13.50265      26.20017 
1 1 1 -21 18 16 o 57.13138 14.04350 40.29983       16.20027  58.22699       
22.30685  20.29124       23.56626  66.85565 16.50658 43.18813 17.41688 
23.66753       23.99614 
1 1 1 -21 18 17 o 62.62591 15.66611 50.91100       19.90094  85.77657       
37.37212  37.11124       23.51176  72.33601 22.76963 51.71103 18.11103 
20.62498       29.09408 
1 1 1 -21 18 18 o 82.96996 12.14714 81.74328       19.88790  115.4294       
31.82202  60.15270       25.47619  92.10235 17.63269 64.54078 18.47324 
27.56157       25.53766 
1 1 1 -21 19 2  o 52.24822 12.97026 35.66628       13.71665  0.000000       
0.000000  35.66628       13.71665  ?        ?        52.24822 12.97026 
0.000000       12.97026 
1 1 1 -21 19 3  o 35.26041 13.89507 13.91034       14.65825  14.31429       
27.58473  13.75138       17.30347  39.13049 17.36870 35.97984 14.76876 
3.150650       22.79886 
1 1 1 -21 19 4  o 73.71963 8.485030 60.53082       12.48797  41.50937       
17.12442  82.13649       18.25063  55.95850 14.81551 83.68706 10.99001 
-27.72856      18.44667 
1 1 1 -21 19 5  o 64.28020 9.740870 46.96226       12.33391  61.10257       
16.84474  30.61902       18.10940  71.67283 11.98022 47.89175 15.91408 
23.78108       19.91942 
1 1 1 -21 19 6  o 65.62027 11.33383 50.13329       14.57715  55.09247       
17.68548  39.62510       25.74400  67.22989 13.40634 52.73707 18.90370 
14.49282       23.17498 
1 1 1 -21 19 7  f 64.55478 11.47217 48.30986       14.50825  59.30606       
17.86138  26.98512       24.87342  70.57188 12.92227 46.68187 18.18715 
23.89002       22.31048 
1 1 1 -21 19 8  o 61.20725 12.62496 44.30546       15.19219  35.00504       
18.23181  65.43387       27.47968  52.40181 15.79844 68.89944 18.99871 
-16.49763      24.70914 
1 1 1 -21 19 9  o 115.0263 6.597150 139.6705       15.36690  128.2143       
20.14691  155.6067       23.76194  108.3061 9.235790 118.7449 9.931656 
-10.43879      13.56236 
1 1 1 -21 19 10 o 72.51173 9.776845 58.25618       14.04894  65.04018       
18.80392  49.68480       21.13639  74.58969 12.86156 62.40677 16.42971 
12.18292       20.86517 
1 1 1 -21 19 11 o 35.90680 13.66365 12.67912       13.80788  32.60006       
18.72888  -11.04201      20.43736  50.91484 16.12944 29.83748 13.88371 
21.07736       21.28183 
1 1 1 -21 19 12 o 170.3844 6.454139 304.8814       22.36246  311.1657       
27.20323  291.7836       39.27285  170.8536 7.829698 160.0157 12.16018 
10.83786       14.46285 
1 1 1 -21 19 13 o 35.91561 14.41226 11.09664       16.04973  19.42192       
18.64264  -12.74377      31.54749  41.90924 15.89358 36.32292 17.01530 
5.586323       23.28361 
1 1 1 -21 19 14 f 50.61650 15.30412 32.27855       17.09072  32.82369       
20.39690  30.99379       31.31251  50.39235 16.89225 49.71101 20.06616 
0.6813393      26.22973 
1 1 1 -21 19 15 o 35.37720 14.10064 11.40554       15.25504  1.918882       
20.36430  23.53654       23.02826  33.78205 14.96247 44.66157 17.47191 
-10.87952      23.00311 
1 1 1 -21 19 16 o 90.08180 9.290107 90.05816       16.77378  70.87253       
22.55576  113.7961       25.08942  74.68326 15.36457 97.75834 12.93869 
-23.07508      20.08680 
1 1 1 -21 19 17 o 64.92861 16.15473 56.10043       21.24335  73.15221       
38.66529  48.72768       25.42443  64.29702 23.15432 57.53765 18.84366 
6.759369       29.85307 
1 1 1 -21 19 18 o 34.43614 14.45942 9.481025       17.12405  -0.2766137     
25.63847  17.33953       23.00856  34.95904 16.00814 40.29753 16.82943 
-5.338497      23.22693 
1 1 1 -21 20 3  o 52.32032 13.49841 36.14452       14.45694  0.000000       
0.000000  36.14452       14.45694  ?        ?        52.32032 13.49841 
0.000000       13.49841 
1 1 1 -21 20 4  o 87.37103 7.187737 83.16360       12.65733  83.44768       
17.32304  82.83823       18.53909  84.71606 10.26514 83.44180 11.20930 
1.274269       15.19939 
1 1 1 -21 20 5  o 38.21899 12.80545 17.79326       11.72133  20.36226       
15.64795  14.50901       17.69267  40.39415 14.70229 37.18667 15.05792 
3.207478       21.04515 
1 1 1 -21 20 6  o 22.64732 10.55949 -7.789688      11.91838  2.013176       
15.72932  -21.00559      18.26341  30.21944 13.27688 24.75324 11.96169 
5.466206       17.87058 
1 1 1 -21 20 7  o 24.44752 11.26742 -6.326907      12.98512  -9.107921      
15.21229  1.139870       24.92640  25.57511 11.92632 35.72599 16.13197 
-10.15088      20.06185 
1 1 1 -21 20 8  o 37.06269 13.76390 14.94681       13.82637  1.954857       
16.51982  45.33308       25.26426  31.14950 13.64784 56.67113 18.79509 
-25.52164      23.22755 
1 1 1 -21 20 9  f 108.0865 7.790303 125.6744       17.00810  119.6940       
20.50174  138.8759       30.46036  103.8228 9.827559 107.1220 14.34323 
-3.299217      17.38704 
1 1 1 -21 20 10 o 23.98507 11.25420 -10.65189      13.89831  3.795992       
16.53119  -45.48575      25.66865  32.19681 13.88272 26.26361 12.99310 
5.933205       19.01448 
1 1 1 -21 20 11 o 103.5452 8.156382 115.7690       17.03525  110.8265       
20.54731  126.6356       30.46700  99.62025 10.29105 101.5548 15.22192 
-1.934570      18.37423 
1 1 1 -21 20 12 f 109.2832 8.231483 129.0966       18.15859  134.5967       
22.03989  117.4730       32.04043  110.1261 9.949078 95.59850 17.10968 
14.52763       19.79205 
1 1 1 -21 20 13 o 28.64112 12.90182 -2.917100      15.83271  9.371247       
18.62173  -34.97292      30.07647  36.06664 15.10787 30.74478 14.97114 
5.321856       21.26929 
1 1 1 -21 20 14 o 64.03474 15.52578 52.42983       20.00791  52.42983       
20.00791  0.000000       0.000000  64.03474 15.52578 ?        ?        
0.000000       15.52578 
1 1 1 -21 20 15 o 54.66875 13.98427 37.38031       15.60905  19.60753       
21.03819  59.14413       23.28082  41.74976 16.58474 66.16682 17.15823 
-24.41706      23.86333 
1 1 1 -21 20 16 o 85.81112 9.774044 83.00475       16.75137  63.52102       
22.54060  107.0400       25.03535  69.12704 16.30010 93.65826 13.53771 
-24.53122      21.18874 
1 1 1 -21 20 17 o 73.55357 12.55470 65.53191       18.10452  92.38471       
27.85473  45.89032       23.82279  82.10825 17.23180 55.80988 18.23865 
26.29837       25.09150 
1 1 1 -21 21 3  o 55.63378 12.80397 40.22307       14.18503  0.000000       
0.000000  40.22307       14.18503  ?        ?        55.63378 12.80397 
0.000000       12.80397 
1 1 1 -21 21 4  o 65.55891 9.378181 49.57130       12.14639  64.64031       
16.38418  31.18355       18.09868  73.06290 11.39965 46.55887 15.91064 
26.50404       19.57295 
1 1 1 -21 21 5  f 75.24971 8.232404 62.98321       12.39197  57.66506       
16.83532  69.27164       18.30680  68.30749 12.58363 75.16454 12.41013 
-6.857056      17.67368 
1 1 1 -21 21 6  o 61.96184 10.30242 44.51259       12.52538  52.95682       
16.69564  33.64123       18.94370  65.44334 13.00370 49.33107 16.27100 
16.11227       20.82886 
1 1 1 -21 21 7  o 33.32607 12.54065 11.66719       11.55237  24.72657       
15.62375  -4.084817      17.15900  43.98430 14.78401 28.78698 13.14954 
15.19733       19.78578 
1 1 1 -21 21 8  o 21.85589 10.51117 -16.12489      13.70370  -10.79822      
16.65516  -27.28864      24.11158  26.25443 12.31930 27.93878 13.55870 
-1.684349      18.31948 
1 1 1 -21 21 9  o 88.87987 8.925855 87.12936       15.91464  92.83737       
18.96669  73.54956       29.25471  90.45486 10.50690 71.29601 19.57936 
19.15886       22.22041 
1 1 1 -21 21 10 o 100.3650 7.928097 109.0045       16.04916  93.11249       
18.83838  151.0702       30.64919  90.79794 10.38976 111.9676 13.74990 
-21.16965      17.23388 
1 1 1 -21 21 11 o 31.29069 13.23705 5.225150       14.52494  9.648258       
17.35866  -5.103187      26.52575  35.35796 14.67949 34.94654 16.10542 
0.4114265      21.79155 
1 1 1 -21 21 12 o 72.57832 11.73764 61.39292       16.73226  60.35529       
20.50865  63.45857       28.93632  69.24190 14.99900 65.74802 19.92130 
3.493874       24.93649 
1 1 1 -21 21 13 o 49.62350 13.41210 30.40672       13.85669  33.65742       
18.42445  26.17376       21.02462  50.64143 15.99302 45.45936 16.95479 
5.182064       23.30755 
1 1 1 -21 21 14 o 26.87651 12.19287 -3.623924      14.43525  -13.36162      
20.07507  6.801427       20.77181  28.26833 13.34491 35.53579 15.44148 
-7.267456      20.40897 
1 1 1 -21 21 15 o 84.94615 9.482890 80.99820       16.10128  88.12702       
22.20300  73.09071       23.38418  85.07842 13.26606 74.71127 15.88088 
10.36715       20.69277 
1 1 1 -21 21 16 f 55.80670 14.09085 39.93849       15.99390  44.30626       
21.88204  34.92861       23.43535  55.65361 17.40767 49.28396 17.98419 
6.369656       25.02914 
1 1 1 -21 21 17 o 42.98314 15.27049 24.31318       16.76354  28.31743       
26.59848  21.67459       21.59147  45.20560 18.40474 41.65466 16.71589 
3.550945       24.86273 
1 1 1 -21 22 4  o 34.26855 12.82546 14.10287       12.05113  11.29897       
17.82431  16.46383       16.35596  34.30478 14.59448 36.64655 14.60247 
-2.341778      20.64536 
1 1 1 -21 22 5  o 43.61565 12.37062 24.20875       11.47814  3.167945       
15.38990  50.58398       17.23070  29.70601 13.08955 62.03751 13.99179 
-32.33150      19.16002 
1 1 1 -21 22 6  o 68.80094 9.097642 53.70158       12.41623  63.47449       
16.13705  39.52053       19.43866  73.02268 11.22661 52.64732 16.39718 
20.37537       19.87220 
1 1 1 -21 22 7  o 25.79714 11.42064 -0.1531569     11.85115  -5.257434      
15.28361  7.543902       18.76813  26.63158 12.25544 34.18003 14.76488 
-7.548445      19.18847 
1 1 1 -21 22 8  o 60.35936 11.12463 42.89498       13.15159  59.30388       
17.46557  21.40716       19.98661  69.77551 12.78013 41.81748 16.29991 
27.95803       20.71277 
1 1 1 -21 22 9  o 58.50303 11.41141 40.44254       13.08837  46.88215       
17.50629  32.28111       19.70823  60.67527 14.40375 48.79358 16.60340 
11.88169       21.98047 
1 1 1 -21 22 10 o 25.43122 11.47632 -2.895884      12.59251  -9.603482      
16.11753  7.613961       20.17498  26.12366 12.21346 35.46238 15.31356 
-9.338720      19.58759 
1 1 1 -21 22 11 o 76.76386 9.326478 65.88682       14.25974  52.03977       
19.47330  81.89680       20.93903  63.42667 15.27917 82.53594 12.89764 
-19.10928      19.99505 
1 1 1 -21 22 12 o 134.9003 6.328031 192.6274       17.35933  212.4111       
24.17882  171.5811       24.93839  139.1682 8.585580 123.4211 10.02295 
15.74711       13.19741 
1 1 1 -21 22 13 o 32.56981 13.20206 9.023957       13.61540  -8.291821      
18.11171  31.52568       20.64650  28.13480 13.08426 48.16319 16.96451 
-20.02839      21.42411 
1 1 1 -21 22 14 o 50.71907 14.21212 33.09024       15.24540  47.88903       
20.91149  16.30104       22.27342  58.92314 16.69218 39.81965 16.58802 
19.10349       23.53278 
1 1 1 -21 22 15 o 71.58009 11.10427 60.19916       15.63979  45.61691       
21.12411  77.88972       23.26682  56.78322 16.97986 77.16117 15.36808 
-20.37795      22.90182 
1 1 1 -21 22 16 o 93.74311 9.919314 100.6365       18.62192  76.11881       
29.19543  117.4525       24.17893  69.81798 19.70393 98.45831 12.34788 
-28.64033      23.25328 
1 1 1 -21 23 4  o 59.98805 15.01816 51.11603       18.27844  0.000000       
0.000000  51.11603       18.27844  ?        ?        59.98805 15.01816 
0.000000       15.01816 
1 1 1 -21 23 5  o 66.76387 14.47465 60.22266       19.08524  60.22266       
19.08524  0.000000       0.000000  66.76387 14.47465 ?        ?        
0.000000       14.47465 
1 1 1 -21 23 6  o 39.33323 12.71758 19.70456       11.59820  20.21737       
15.11455  18.97017       18.08756  39.43993 14.43511 38.87545 15.39837 
0.5644722      21.10645 
1 1 1 -21 23 7  f 36.10400 12.73360 15.73237       11.63600  9.282784       
15.15419  24.99734       18.16306  32.87747 13.68818 42.95965 15.80876 
-10.08218      20.91131 
1 1 1 -21 23 8  o 103.9672 6.636642 116.1094       13.95803  112.9918       
17.77456  121.1247       22.54427  100.5852 8.777823 101.5496 11.09774 
-0.9643250     14.14956 
1 1 1 -21 23 9  o 123.1908 6.250104 161.6115       15.60602  158.9825       
20.29762  165.4126       24.40662  120.0685 8.365394 120.4372 10.05744 
-0.3686981     13.08174 
1 1 1 -21 23 10 o 62.00965 11.20513 45.43290       13.60950  48.79980       
17.64271  40.48542       21.38660  61.63490 14.34523 53.26353 17.27451 
8.371368       22.45427 
1 1 1 -21 23 11 o 89.05397 8.056179 87.00628       14.43132  89.34525       
19.06469  83.86760       22.08467  87.67950 10.92985 82.16444 13.70012 
5.515068       17.52584 
1 1 1 -21 23 12 o 40.11123 14.02473 19.90521       14.09616  9.665342       
18.45127  34.25948       21.84588  35.15551 14.89824 49.15849 17.43573 
-14.00298      22.93387 
1 1 1 -21 23 13 o 56.82984 12.71291 39.92433       14.32410  56.00786       
19.17102  19.59752       21.55207  65.71391 14.71257 40.87716 16.59585 
24.83675       22.17841 
1 1 1 -21 23 14 f 69.01163 11.56429 56.88498       15.65486  63.86423       
20.87081  47.90706       23.67134  69.59486 15.17499 56.53759 18.15692 
13.05726       23.66335 
1 1 1 -21 23 15 o 68.12978 13.05611 58.02885       17.43005  54.87943       
27.16005  60.23419       22.72760  58.32538 19.49293 64.99386 17.00145 
-6.668476      25.86549 
1 1 1 -21 23 16 o 94.06167 10.07376 102.4901       18.96916  112.2985       
28.34944  94.53858       25.52518  90.97172 15.90354 83.80802 15.54977 
7.163696       22.24226 
1 1 1 -21 24 5  o 40.73892 14.28648 23.16185       14.63240  34.96513       
17.91859  -0.4633661     25.35073  48.11464 15.82246 32.72928 15.30671 
15.38535       22.01467 
1 1 1 -21 24 6  o 18.01341 8.962975 -26.80305      12.91023  -17.49532      
15.73644  -45.96473      22.57883  22.74323 11.01760 22.83209 11.43558 
-0.8886719E-01 15.87955 
1 1 1 -21 24 7  o 38.25164 12.90431 18.63463       11.90381  19.05151       
15.42437  18.02064       18.71899  38.53011 14.49227 38.32034 15.49846 
0.2097740      21.21859 
1 1 1 -21 24 8  o 126.5348 6.005776 170.5160       15.45363  154.8305       
20.18450  192.7339       24.02262  117.7291 8.488005 130.5276 9.107451 
-12.79845      12.44957 
1 1 1 -21 24 9  o 71.76780 9.540980 59.02835       13.57924  51.33516       
17.70356  70.02347       21.16447  62.71095 14.21109 72.96152 14.77141 
-10.25056      20.49755 
1 1 1 -21 24 10 o 42.47949 13.41983 23.13924       12.97178  35.32156       
17.35631  7.723622       19.52419  50.69526 15.44378 34.33941 14.94616 
16.35585       21.49181 
1 1 1 -21 24 11 o 43.80294 13.90838 24.93166       13.91985  36.45541       
18.28658  9.054833       21.46433  51.16456 15.89868 35.78332 15.62049 
15.38124       22.28829 
1 1 1 -21 24 12 o 57.64506 12.42767 41.13435       14.13925  37.94021       
18.13135  46.09112       22.58665  52.31518 15.75093 55.58674 17.72390 
-3.271557      23.71136 
1 1 1 -21 24 13 o 36.89368 13.70743 16.29052       13.71627  27.18822       
18.27677  2.238473       20.75399  44.47286 15.92933 32.77247 14.76636 
11.70039       21.72070 
1 1 1 -21 24 14 o 43.02621 15.09816 24.96040       16.34353  -11.86508      
23.32713  60.46553       22.90513  29.95861 14.21454 64.53920 17.15723 
-34.58059      22.28057 
1 1 1 -21 24 15 o 61.95642 14.04111 50.43095       17.28154  53.58275       
24.73722  47.42630       24.15284  58.06084 18.55228 54.61189 18.38149 
3.448959       26.11640 
1 1 1 -21 25 6  f 25.70972 11.46142 0.7282140      12.14507  17.55544       
16.77760  -17.79668      17.60359  36.84764 14.75338 23.96169 11.61865 
12.88596       18.77912 
1 1 1 -21 25 7  o 23.55459 10.91214 -5.080298      12.41395  -7.594202      
16.86180  -2.105147      18.34359  26.32655 12.36669 29.07715 13.39772 
-2.750601      18.23277 
1 1 1 -21 25 8  o 129.6681 7.560836 185.4846       19.85028  196.2648       
24.72782  165.9488       33.28824  130.7165 9.364644 110.6084 15.20151 
20.10802       17.85448 
1 1 1 -21 25 9  o 95.63870 8.428944 102.6999       16.22539  85.55180       
19.32062  143.7317       29.88642  83.82820 11.64874 104.5636 14.44074 
-20.73542      18.55339 
1 1 1 -21 25 10 f 80.15263 9.647341 74.16972       15.40870  85.41646       
18.66439  50.09817       27.30564  84.47726 11.13627 54.36918 19.47074 
30.10809       22.43048 
1 1 1 -21 25 11 f 134.3108 6.189637 192.8345       16.90548  176.0274       
22.41132  215.0240       25.75100  124.9241 8.879893 137.5257 9.261795 
-12.60157      12.83095 
1 1 1 -21 25 12 o 22.20642 10.74897 -17.46340      14.90386  -16.53402      
21.06814  -18.39439      21.08637  27.26730 13.09272 26.85492 12.94635 
0.4123859      18.41269 
1 1 1 -21 25 13 o 91.49554 9.285772 95.74136       17.03767  113.5644       
24.32445  78.57559       23.87173  95.12750 12.90769 75.02521 16.12666 
20.10229       20.65617 
1 1 1 -21 25 14 o 71.73470 12.34719 64.20045       17.36175  74.74522       
25.16754  54.62588       23.98180  70.75506 17.57160 58.70790 18.20100 
12.04716       25.29897 
1 1 1 -21 26 7  o 31.12485 12.51065 10.32154       12.11584  -9.657605      
16.47580  33.84832       17.87883  25.14961 11.93666 46.99496 15.81490 
-21.84535      19.81401 
1 1 1 -21 26 8  f 95.45715 7.563209 101.4287       14.56117  112.5876       
21.12827  91.33382       20.09572  96.19995 10.99799 85.47626 11.88272 
10.72369       16.19120 
1 1 1 -21 26 9  o 59.49775 11.87854 44.45571       13.86862  60.11443       
20.31401  30.78572       18.98024  65.01701 15.57017 45.17895 16.22761 
19.83805       22.48923 
1 1 1 -21 26 10 o 29.17982 12.59883 5.009805       13.65207  23.61613       
18.90433  -15.27056      19.73643  40.98258 15.88635 26.33400 12.65191 
14.64858       20.30879 
1 1 1 -21 26 11 o 41.14492 14.36262 23.09586       14.78067  21.18560       
20.67008  25.09472       21.14402  39.79889 16.21639 41.80608 16.62031 
-2.007183      23.22081 
1 1 1 -21 26 12 o 76.26440 10.51007 69.35049       15.86666  84.57653       
24.24120  57.93835       20.98671  77.51452 15.91177 63.10852 16.25425 
14.40600       22.74610 
1 1 1 -21 26 13 f 55.31338 14.12508 41.60553       15.94404  63.98107       
23.40131  22.21915       21.78220  64.66113 17.40995 40.26425 16.55379 
24.39688       24.02361 
1 1 1 -21 26 14 o 28.90856 12.61120 4.267223       13.97034  1.914608       
18.79297  7.173212       20.88656  30.69843 13.92110 33.57371 14.99417 
-2.875273      20.46026 
1 1 1 -21 27 8  o 35.54972 16.33523 10.19754       27.01646  0.000000       
0.000000  10.19754       27.01646  ?        ?        35.54972 16.33523 
0.000000       16.33523 
1 1 1 -21 27 9  o 48.67625 19.13486 44.87327       27.73414  0.000000       
0.000000  44.87327       27.73414  ?        ?        48.67625 19.13486 
0.000000       19.13486 
1 1 1 -21 27 10 o 63.28754 14.00016 54.60064       17.54028  36.58601       
21.41240  91.34689       30.58152  47.22815 17.19710 71.93066 20.11932 
-24.70251      26.46747 
1 1 1 -21 27 11 o 115.5226 7.591451 148.6782       17.73449  169.3983       
25.95795  130.5410       24.28614  118.0180 10.94051 102.0269 11.93088 
15.99110       16.18767 
1 1 1 -21 27 12 o 49.62111 14.00433 34.25665       14.74785  15.89146       
21.10055  51.79647       20.62094  36.73836 15.76038 58.04631 16.62166 
-21.30795      22.90566 
1 1 1 -20 0  1  o 47.75387 19.08422 34.12570       17.96312  34.12570       
17.96312  34.12570       17.96312  47.75387 19.08422 47.75387 19.08422 
-0.000000      0.000000 
1 1 1 -20 0  2  o 81.70576 12.57566 74.57536       19.42239  74.57536       
19.42239  74.57536       19.42239  81.70576 12.57566 81.70576 12.57566 
-0.000000      0.000000 
1 1 1 -20 0  3  o 116.6996 13.80283 148.9387       31.55067  148.9387       
31.55067  148.9387       31.55067  116.6996 13.80283 116.6996 13.80283 
0.000000       0.000000 
1 1 1 -20 0  4  o 61.03711 24.45382 56.23043       29.47183  56.23043       
29.47183  56.23043       29.47183  61.03711 24.45382 61.03711 24.45382 
0.000000       0.000000 
1 1 1 -20 0  5  o 146.0804 8.092969 221.2521       23.87224  221.2521       
23.87224  221.2521       23.87224  146.0804 8.092969 146.0804 8.092969 
-0.000000      0.000000 
1 1 1 -20 0  6  o 28.28735 17.14440 8.728858       18.24893  8.728858       
18.24893  8.728858       18.24893  28.28735 17.14440 28.28735 17.14440 
-0.000000      0.000000 
1 1 1 -20 0  7  o 142.8542 7.890471 211.2883       22.76187  211.2883       
22.76187  211.2883       22.76187  142.8542 7.890471 142.8542 7.890471 
-0.000000      0.000000 
1 1 1 -20 0  8  o 138.2230 8.186925 198.1633       22.82708  198.1633       
22.82708  198.1633       22.82708  138.2230 8.186925 138.2230 8.186925 
-0.000000      0.000000 
1 1 1 -20 0  9  o 167.1645 7.643504 288.2719       25.85921  288.2719       
25.85921  288.2719       25.85921  167.1645 7.643504 167.1645 7.643504 
0.000000       0.000000 
1 1 1 -20 0  10 o 253.5689 6.674077 659.2889       34.36038  659.2889       
34.36038  659.2889       34.36038  253.5689 6.674077 253.5689 6.674077 
-0.000000      0.000000 
1 1 1 -20 0  11 o 132.7031 8.803610 183.3844       23.51717  183.3844       
23.51717  183.3844       23.51717  132.7031 8.803610 132.7031 8.803610 
-0.000000      0.000000 
1 1 1 -20 0  12 o 336.8623 6.808628 1163.135       46.59754  1163.135       
46.59754  1163.135       46.59754  336.8623 6.808628 336.8623 6.808628 
0.000000       0.000000 
1 1 1 -20 0  13 o 83.69279 13.06335 77.83772       20.61836  77.83772       
20.61836  77.83772       20.61836  83.69279 13.06335 83.69279 13.06335 
-0.000000      0.000000 
1 1 1 -20 0  14 o 25.43456 17.17666 -9.800676      25.92168  -9.800676      
25.92168  -9.800676      25.92168  25.43456 17.17666 25.43456 17.17666 
0.000000       0.000000 
1 1 1 -20 0  15 o 155.7858 11.68516 256.6107       36.53926  256.6107       
36.53926  256.6107       36.53926  155.7858 11.68516 155.7858 11.68516 
-0.000000      0.000000 
1 1 1 -20 0  16 o 94.32819 13.54106 98.70568       24.42117  98.70568       
24.42117  98.70568       24.42117  94.32819 13.54106 94.32819 13.54106 
-0.000000      0.000000 
1 1 1 -20 0  17 o 31.75981 19.27165 12.14517       23.11216  12.14517       
23.11216  12.14517       23.11216  31.75981 19.27165 31.75981 19.27165 
-0.000000      0.000000 
1 1 1 -20 0  18 o 91.05531 15.09535 95.01757       25.64124  95.01757       
25.64124  95.01757       25.64124  91.05531 15.09535 91.05531 15.09535 
0.000000       0.000000 
1 1 1 -20 0  19 o 32.00310 19.26559 13.96441       22.73551  13.96441       
22.73551  13.96441       22.73551  32.00310 19.26559 32.00310 19.26559 
0.000000       0.000000 
1 1 1 -20 0  20 o 85.72668 16.18569 88.09828       25.28153  88.09828       
25.28153  88.09828       25.28153  85.72668 16.18569 85.72668 16.18569 
-0.000000      0.000000 
1 1 1 -20 0  21 o 47.71566 22.49286 40.89408       24.62128  40.89408       
24.62128  40.89408       24.62128  47.71566 22.49286 47.71566 22.49286 
0.000000       0.000000 
1 1 1 -20 0  22 o 28.39275 18.32569 8.105724       24.62812  8.105724       
24.62812  8.105724       24.62812  28.39275 18.32569 28.39275 18.32569 
0.000000       0.000000 
1 1 1 -20 1  1  o 28.92457 12.21965 2.375725       12.35128  1.139609       
16.98263  3.763774       17.99608  32.42135 14.02503 34.44530 14.65969 
-2.023949      20.28812 
1 1 1 -20 1  2  o 36.58651 13.24088 12.92674       12.66568  22.43006       
17.86930  3.332071       17.95497  45.60807 15.79935 34.45546 14.65298 
11.15261       21.54830 
1 1 1 -20 1  3  o 89.12928 9.515653 84.51187       16.98028  97.21407       
20.95742  60.23868       28.97089  94.95451 11.06079 70.50722 19.53326 
24.44730       22.44748 
1 1 1 -20 1  4  o 70.69193 11.99706 54.69884       16.62975  70.63017       
28.64370  46.59868       20.42444  77.35738 18.46469 63.68703 15.83723 
13.67035       24.32617 
1 1 1 -20 1  5  o 110.4044 6.786180 126.3175       15.16191  106.1797       
21.34980  146.8077       21.53578  99.77661 10.68873 118.2254 9.025936 
-18.44882      13.98987 
1 1 1 -20 1  6  o 26.55980 11.87093 -4.492075      13.11878  -3.352076      
19.34181  -5.463331      17.85301  33.15384 14.63812 30.97686 13.84646 
2.176987       20.14942 
1 1 1 -20 1  7  o 74.85976 9.179551 59.25609       13.68120  61.08766       
19.90180  57.61504       18.83827  74.41136 13.65553 72.35711 13.29275 
2.054253       19.05703 
1 1 1 -20 1  8  o 163.0416 6.105857 273.2948       20.24401  317.5481       
36.96674  254.3385       24.19442  173.5870 10.52199 156.8161 7.587052 
16.77089       12.97211 
1 1 1 -20 1  9  o 77.39790 10.24626 63.75388       15.73026  73.98090       
27.61123  58.83954       19.14009  80.53377 17.37044 73.20982 13.34834 
7.323952       21.90685 
1 1 1 -20 1  10 o 146.4866 5.788725 220.2831       17.24377  217.1643       
24.79628  223.2039       23.99616  144.4257 8.480078 146.5828 8.081435 
-2.157135      11.71415 
1 1 1 -20 1  11 o 97.72556 7.665494 99.30204       15.11132  90.00623       
21.42825  108.4985       21.31347  91.63666 11.77132 101.2294 10.50675 
-9.592773      15.77833 
1 1 1 -20 1  12 o 56.11568 12.62875 34.68031       14.06301  32.18057       
19.89379  37.17717       19.88240  53.85185 16.55781 57.46081 16.27571 
-3.608959      23.21766 
1 1 1 -20 1  13 o 130.3214 6.413170 174.7196       16.99574  175.4261       
24.36100  174.0497       23.72291  129.4416 9.317177 129.0155 9.100561 
0.4261169      13.02421 
1 1 1 -20 1  14 o 44.80255 14.87106 21.07658       15.81498  11.89376       
26.47905  26.16886       19.71833  44.80726 18.31663 49.57438 16.60893 
-4.767124      24.72560 
1 1 1 -20 1  15 o 53.19701 15.13083 31.65992       17.14670  54.94321       
21.75179  -6.555242      27.86702  69.73142 15.71584 38.73738 17.30848 
30.99405       23.37887 
1 1 1 -20 1  16 o 145.9917 6.633995 219.7669       19.69495  230.6428       
28.01649  209.1415       27.69207  148.2841 9.338823 140.9970 9.717480 
7.287064       13.47750 
1 1 1 -20 1  17 o 22.95154 11.05797 -21.84465      15.32933  -54.28894      
22.31910  7.127154       21.09091  23.42674 11.67720 38.96571 16.17935 
-15.53897      19.95315 
1 1 1 -20 1  18 o 112.8454 7.917156 133.2004       18.05287  196.3098       
27.07196  82.66364       24.22573  136.1160 9.846932 85.92146 14.37280 
50.19449       17.42238 
1 1 1 -20 1  19 o 48.04403 14.91987 26.08307       16.10704  47.95887       
22.76405  4.150469       22.79358  63.52623 17.19940 38.33084 16.41027 
25.19540       23.77217 
1 1 1 -20 1  20 o 113.5498 8.363956 136.4510       19.17704  164.8844       
27.26520  108.6136       26.97794  123.1783 11.00061 97.90559 13.94437 
25.27271       17.76116 
1 1 1 -20 1  21 o 44.23747 15.49054 21.92710       17.19974  25.50509       
24.49498  18.44723       24.15676  48.10481 18.22422 44.42092 17.73182 
3.683887       25.42714 
1 1 1 -20 1  22 o 59.54187 15.04679 43.26570       18.22658  68.38205       
26.20439  19.72621       25.36847  73.00260 17.80984 44.71596 18.05738 
28.28664       25.36256 
1 1 1 -20 2  1  o 31.25671 12.63535 6.028733       12.43504  6.111038       
17.52009  5.945182       17.65225  35.23825 14.69845 35.24715 14.73234 
-0.8899689E-02 20.81072 
1 1 1 -20 2  2  o 55.26725 13.97230 34.98799       15.71184  48.91568       
19.29857  7.607767       27.05852  65.08843 14.90175 42.23700 17.97579 
22.85143       23.34933 
1 1 1 -20 2  3  o 122.2862 6.331658 154.8745       15.69119  157.4899       
22.11708  152.2241       22.26504  122.2133 8.961827 120.0316 9.191564 
2.181732       12.83741 
1 1 1 -20 2  4  o 85.71444 9.530107 78.01942       16.33005  61.09141       
28.87981  85.97574       19.79920  71.45378 19.38370 89.36298 11.13698 
-17.90919      22.35531 
1 1 1 -20 2  5  o 38.68483 14.52946 13.09884       15.49273  24.98355       
26.56583  6.973633       19.07171  50.68956 19.02839 37.51107 15.46368 
13.17849       24.51948 
1 1 1 -20 2  6  o 134.8209 5.990942 186.9529       16.42494  185.3069       
23.80857  188.4476       22.68862  133.0594 8.849524 134.3985 8.342818 
-1.339050      12.16210 
1 1 1 -20 2  7  o 80.23438 9.865773 68.33462       15.75779  78.91392       
28.52007  63.68591       18.90551  83.01277 17.44887 76.42661 12.60387 
6.586166       21.52488 
1 1 1 -20 2  8  o 92.62052 8.778853 89.97758       16.33726  92.52369       
28.99522  88.79329       19.77512  90.75810 16.31003 91.27362 10.86790 
-0.5155182     19.59920 
1 1 1 -20 2  9  o 64.93172 12.31457 46.06691       15.66530  43.43402       
27.51955  47.32905       19.05361  61.70484 19.55211 65.02126 14.74913 
-3.316422      24.49126 
1 1 1 -20 2  10 o 264.5921 5.457392 717.9456       29.36388  688.4474       
51.40193  732.2353       35.77606  256.6433 9.849134 266.6888 6.596846 
-10.04550      11.85427 
1 1 1 -20 2  11 o 169.7539 6.181104 296.1953       21.33719  312.4760       
38.79695  289.1357       25.54789  171.9512 11.15559 167.2889 7.509940 
4.662277       13.44791 
1 1 1 -20 2  12 o 191.7952 5.288343 377.0080       20.62570  404.8904       
29.74809  351.1952       28.62275  198.0162 7.387661 184.3225 7.636275 
13.69371       10.62498 
1 1 1 -20 2  13 o 43.18422 14.61958 19.17104       15.27923  26.63815       
25.56664  15.02245       19.05671  51.69063 18.79608 42.18985 16.05256 
9.500774       24.71795 
1 1 1 -20 2  14 o 121.9003 7.668364 154.2689       18.91210  137.0749       
31.11832  164.3392       23.81488  112.2486 13.93234 125.1849 9.424159 
-12.93632      16.82037 
1 1 1 -20 2  15 o 138.3735 7.388141 198.4512       20.71410  205.7740       
26.27779  186.4335       33.66368  140.1549 9.272355 131.6783 12.73060 
8.476547       15.74943 
1 1 1 -20 2  16 o 121.3195 8.705528 154.0303       21.33438  141.4759       
26.32148  178.0736       36.42572  115.0835 11.39707 127.5762 14.28585 
-12.49261      18.27508 
1 1 1 -20 2  17 o 31.23120 13.49661 -0.5162788E-01 15.69533  8.369440       
22.33316  -8.269756      22.06241  40.35281 16.69335 33.53784 15.15740 
6.814968       22.54805 
1 1 1 -20 2  18 o 62.24095 13.53801 43.56981       16.64717  23.62184       
23.56531  63.44127       23.52008  48.51750 17.97867 74.20745 16.05284 
-25.68995      24.10241 
1 1 1 -20 2  19 o 36.81570 14.52179 10.27582       16.02459  13.34422       
22.43981  7.082700       22.89132  42.25661 17.01158 39.62056 16.68136 
2.636047       23.82565 
1 1 1 -20 2  20 o 54.60856 15.02098 35.00824       17.20220  64.77362       
24.52571  6.185567       24.13420  73.49761 16.77880 39.56762 16.91144 
33.92999       23.82278 
1 1 1 -20 2  21 o 28.93770 13.27196 -8.356048      17.71941  -20.44877      
24.61000  4.661349       25.53358  31.04277 14.69156 39.22331 17.08186 
-8.180544      22.53069 
1 1 1 -20 2  22 f 40.79432 16.44125 14.99272       20.98584  1.265015       
25.03754  47.41435       38.47779  37.16322 16.51895 58.39194 22.65631 
-21.22872      28.03898 
1 1 1 -20 3  1  f 116.7818 6.279040 141.8898       14.85670  136.2632       
21.19582  147.3239       20.83006  112.9151 9.314078 117.7589 8.761228 
-4.843765      12.78715 
1 1 1 -20 3  2  o 119.9742 7.352243 150.4497       17.85088  131.9488       
21.58248  190.5136       31.76005  111.2397 9.636101 132.2498 11.93830 
-21.01002      15.34202 
1 1 1 -20 3  3  o 138.1825 5.876164 196.8491       16.51195  214.4388       
23.71980  180.3112       22.99969  143.0891 8.185776 130.9286 8.687794 
12.16048       11.93670 
1 1 1 -20 3  4  o 20.12747 10.10553 -51.28004      18.16168  -51.28004      
18.16168  0.000000       0.000000  20.12747 10.10553 ?        ?        
0.000000       10.10553 
1 1 1 -20 3  5  o 27.62584 12.53094 -7.252396      15.23949  -48.18309      
26.81731  12.26973       18.52056  28.07280 13.76862 39.98398 15.66141 
-11.91118      20.85317 
1 1 1 -20 3  6  o 46.20301 16.29921 21.73764       19.06596  0.000000       
0.000000  21.73764       19.06596  ?        ?        46.20301 16.29921 
0.000000       16.29921 
1 1 1 -20 3  7  o 128.9723 8.366220 173.4885       21.82360  0.000000       
0.000000  173.4885       21.82360  ?        ?        128.9723 8.366220 
0.000000       8.366220 
1 1 1 -20 3  8  o 89.42217 9.000609 84.06304       16.14456  60.08979       
28.60806  95.26569       19.55624  71.67424 19.22913 94.78247 10.31268 
-23.10823      21.81996 
1 1 1 -20 3  9  o 44.03197 14.98407 19.96640       16.05142  9.371770       
28.16852  25.06084       19.53300  44.69517 18.63976 48.75632 16.52972 
-4.061150      24.91329 
1 1 1 -20 3  10 o 60.61427 13.64164 40.77251       16.40881  73.33854       
30.57924  27.60364       19.44548  79.38588 19.16092 50.51125 16.47664 
28.87463       25.27094 
1 1 1 -20 3  11 o 45.96107 15.38400 22.13667       16.91693  39.04547       
33.40765  16.30576       19.61813  60.24685 21.54083 43.25513 16.32803 
16.99172       27.02983 
1 1 1 -20 3  12 o 63.31300 16.11498 45.38702       20.80070  0.000000       
0.000000  45.38702       20.80070  ?        ?        63.31300 16.11498 
0.000000       16.11498 
1 1 1 -20 3  13 o 51.15454 14.88103 29.01353       16.41152  8.224336       
26.93047  41.29511       20.69914  43.53673 18.19692 60.36324 16.42495 
-16.82652      24.51340 
1 1 1 -20 3  14 o 119.2088 6.864063 146.9674       16.56922  146.8670       
23.73677  147.0628       23.13947  118.0750 9.979267 118.2642 9.707253 
-0.1891632     13.92180 
1 1 1 -20 3  15 o 108.4048 7.822478 122.3234       17.12842  124.0284       
23.84694  120.5064       24.61794  107.9561 11.01699 106.1483 11.59329 
1.807800       15.99307 
1 1 1 -20 3  16 o 126.4537 8.363932 166.9556       21.38620  165.9579       
26.04291  169.0217       37.47667  125.2283 10.31856 123.6421 15.22717 
1.586220       18.39400 
1 1 1 -20 3  17 o 26.76852 12.42090 -12.16707      16.17847  -22.04985      
22.93853  -2.384857      22.82154  30.21242 14.26337 36.20907 15.94815 
-5.996651      21.39596 
1 1 1 -20 3  18 o 54.84454 14.42866 34.24812       16.30877  29.28244       
22.94810  39.31547       23.18185  51.62806 17.90325 58.04743 17.87817 
-6.419376      25.30129 
1 1 1 -20 3  19 f 75.80949 11.13518 62.71972       16.65456  56.64011       
22.87772  69.57426       24.29206  69.37437 16.46391 77.36686 15.96976 
-7.992493      22.93673 
1 1 1 -20 3  20 o 72.57638 12.22108 58.91841       17.39581  65.91190       
24.11729  51.33380       25.11586  74.36039 16.39054 64.42588 18.30820 
9.934509       24.57316 
1 1 1 -20 3  21 o 72.38646 12.83617 59.91417       18.20304  64.63950       
25.22480  54.77958       26.29447  72.08526 17.40512 65.29067 18.79091 
6.794586       25.61321 
1 1 1 -20 3  22 o 23.63626 11.64029 -35.72552      19.81187  -33.42720      
23.76933  -40.95607      35.85788  27.27707 13.28836 33.78099 16.42631 
-6.503925      21.12828 
1 1 1 -20 4  1  o 54.36674 13.88521 34.28288       15.40566  15.56680       
18.58284  75.41704       27.54901  41.02913 15.79364 78.75733 17.63968 
-37.72820      23.67694 
1 1 1 -20 4  2  o 117.0458 6.455220 142.3620       15.30509  166.1416       
22.35146  121.3692       21.00095  125.3307 8.826320 106.5412 9.803228 
18.78944       13.19118 
1 1 1 -20 4  3  o 39.18718 13.59901 15.69656       13.24146  16.59316       
19.06280  14.86059       18.40692  42.48634 16.08144 41.11893 15.74513 
1.367405       22.50604 
1 1 1 -20 4  4  o 62.99274 11.26571 43.34224       13.90140  43.74269       
19.85892  42.95748       19.46605  61.65735 15.77442 61.15587 15.60218 
0.5014801      22.18694 
1 1 1 -20 4  5  o 44.60882 14.84018 21.18203       15.74614  42.41390       
28.56401  11.91336       18.87269  60.58019 19.97973 39.98221 15.76313 
20.59798       25.44928 
1 1 1 -20 4  6  o 66.34896 15.17406 49.79465       20.02839  0.000000       
0.000000  49.79465       20.02839  ?        ?        66.34896 15.17406 
0.000000       15.17406 
1 1 1 -20 4  7  o 140.1781 6.764476 202.6685       19.28261  200.1225       
33.39573  203.9419       23.61724  136.6982 12.14003 139.8712 8.341216 
-3.172974      14.72944 
1 1 1 -20 4  8  o 61.40279 12.61652 41.48922       15.22672  10.15066       
24.75344  60.56597       19.31293  42.94089 17.64960 74.25776 13.27687 
-31.31687      22.08583 
1 1 1 -20 4  9  o 154.2780 6.191845 244.7691       19.42565  252.9432       
32.88907  240.3898       24.07340  154.8809 10.50456 152.1990 7.804361 
2.681931       13.08640 
1 1 1 -20 4  10 o 131.8278 7.165072 179.8596       19.13572  132.6072       
30.38755  210.9111       24.63339  110.4379 13.83446 142.2685 8.554358 
-31.83059      16.26558 
1 1 1 -20 4  11 o 146.8775 8.282103 224.3771       24.63609  0.000000       
0.000000  224.3771       24.63609  ?        ?        146.8775 8.282103 
0.000000       8.282103 
1 1 1 -20 4  12 o 79.96557 13.76191 70.18976       21.57146  0.000000       
0.000000  70.18976       21.57146  ?        ?        79.96557 13.76191 
0.000000       13.76191 
1 1 1 -20 4  13 o 25.37930 12.05424 -19.30981      16.86034  -56.73665      
33.53931  -6.653153      19.50393  31.85014 15.57419 32.12361 14.40762 
-0.2734680     21.21638 
1 1 1 -20 4  14 o 180.5339 5.486647 334.3721       20.14268  342.8418       
28.72581  326.1793       28.25219  181.9952 7.761771 177.4909 7.827530 
4.504379       11.02340 
1 1 1 -20 4  15 o 84.12488 9.437387 74.78486       15.86623  70.14089       
22.29088  79.55369       22.58856  79.56677 14.30245 85.21760 13.48362 
-5.650826      19.65624 
1 1 1 -20 4  16 o 135.7051 7.809794 191.5973       21.46103  207.2869       
26.96576  164.4896       35.44479  140.4188 9.499448 122.3348 14.53216 
18.08396       17.36154 
1 1 1 -20 4  17 o 115.8399 8.914648 141.0637       20.83846  128.8832       
25.61239  164.9157       35.84105  109.4171 11.69202 122.0334 14.74150 
-12.61621      18.81529 
1 1 1 -20 4  18 o 54.94228 14.32723 34.37681       16.17306  13.56766       
22.66144  55.97832       23.08886  42.75280 17.13619 69.28474 16.60434 
-26.53194      23.86113 
1 1 1 -20 4  19 o 52.71859 14.80221 32.04860       16.52031  18.39050       
22.67376  47.50426       24.11971  44.87330 17.39721 62.82307 17.97233 
-17.94977      25.01335 
1 1 1 -20 4  20 o 82.07103 10.98512 73.87466       17.87363  80.02313       
24.79449  67.22304       25.78908  82.84216 15.28111 74.39590 17.36309 
8.446259       23.12983 
1 1 1 -20 4  21 o 41.78944 15.56202 18.19364       17.69888  10.07912       
24.73128  26.71241       25.33983  40.81821 17.27034 48.78087 18.52253 
-7.962658      25.32486 
1 1 1 -20 4  22 o 97.18188 11.76238 106.7506       22.77186  130.3840       
27.72268  57.72733       39.92757  106.2724 13.10580 62.31642 23.34069 
43.95595       26.76845 
1 1 1 -20 5  1  o 92.57925 8.922724 91.58587       16.59020  108.3667       
20.13929  56.15459       29.26377  100.1564 10.02267 66.25307 20.02462 
33.90328       22.39284 
1 1 1 -20 5  2  o 107.4320 7.039698 120.5413       15.29435  120.5058       
21.24655  120.5796       22.03388  106.0306 9.970967 105.8451 10.37011 
0.1854324      14.38608 
1 1 1 -20 5  3  o 151.2897 5.652408 235.8107       17.38979  253.1465       
24.51388  218.2496       24.67264  155.8648 7.734149 144.1607 8.453187 
11.70416       11.45746 
1 1 1 -20 5  4  o 101.8973 8.587219 109.2099       17.62789  69.85779       
30.51271  128.9241       21.59663  76.15709 19.59047 110.2669 9.731223 
-34.10986      21.87426 
1 1 1 -20 5  5  o 42.32885 14.76218 18.23543       15.61276  -11.15762      
28.07502  31.39518       18.78544  37.20871 16.92786 52.75036 16.06640 
-15.54165      23.33842 
1 1 1 -20 5  6  o 65.52805 11.12500 46.54704       14.29433  57.65274       
20.65984  36.34842       19.79815  71.68193 14.66737 56.52158 16.31635 
15.16035       21.93981 
1 1 1 -20 5  7  o 225.4963 5.436294 521.8756       24.92836  477.5423       
40.91437  548.0496       31.43733  213.7243 9.413918 230.5220 6.706283 
-16.79767      11.55838 
1 1 1 -20 5  8  o 142.6492 6.369576 209.4880       18.47700  199.7924       
30.30412  215.2253       23.31136  137.2768 10.94659 143.8688 7.999604 
-6.591980      13.55807 
1 1 1 -20 5  9  o 124.2186 7.261662 159.8956       18.26330  150.0852       
28.59813  166.6521       23.73327  118.4076 12.04469 126.0684 9.323767 
-7.660881      15.23178 
1 1 1 -20 5  10 o 133.5274 6.841716 184.2579       18.51508  166.4540       
30.09249  195.1034       23.48693  124.8124 12.00435 136.8263 8.483044 
-12.01382      14.69920 
1 1 1 -20 5  11 o 84.01783 9.764965 74.68082       16.37256  75.51160       
26.98376  74.19675       20.59732  81.62444 16.81623 82.69017 12.65147 
-1.065735      21.04389 
1 1 1 -20 5  12 o 108.6312 8.849011 123.4942       19.37806  113.7410       
35.38948  127.6708       23.15837  99.93769 18.07932 109.8428 10.49551 
-9.905067      20.90496 
1 1 1 -20 5  13 o 56.77708 14.89343 36.17886       17.40944  52.75966       
32.38297  29.43844       20.64703  67.17431 21.20149 51.97450 16.97924 
15.19981       27.16243 
1 1 1 -20 5  14 o 117.9899 10.18139 146.9658       24.18963  146.9658       
24.18963  0.000000       0.000000  117.9899 10.18139 ?        ?        
0.000000       10.18139 
1 1 1 -20 5  15 o 51.78065 15.69862 29.86882       17.96537  30.89080       
21.55993  27.54716       32.49550  52.97353 17.35273 54.24210 20.88365 
-1.268566      27.15224 
1 1 1 -20 5  16 o 34.81034 14.78773 2.691635       18.25035  19.58152       
21.99077  -34.68318      32.71272  46.00802 17.30439 34.93593 16.64913 
11.07209       24.01324 
1 1 1 -20 5  17 o 86.49232 14.30178 83.35886       24.27557  83.35886       
24.27557  0.000000       0.000000  86.49232 14.30178 ?        ?        
0.000000       14.30178 
1 1 1 -20 5  18 o 155.3494 7.322081 250.6937       23.13105  255.6708       
27.93578  239.8406       41.25272  155.9001 8.848228 147.4194 13.92585 
8.480728       16.49910 
1 1 1 -20 5  19 o 119.4240 9.178956 151.4050       22.12071  164.6990       
26.33216  119.5260       40.77652  123.7536 10.56472 97.64307 21.14805 
26.11048       23.64008 
1 1 1 -20 5  20 o 27.57689 13.07868 -19.26586      19.70525  -20.40537      
23.04753  -16.16935      37.99289  30.09683 14.23584 40.69936 18.93515 
-10.60254      23.68964 
1 1 1 -20 5  21 o 71.62000 15.02328 61.17080       21.18180  58.69277       
25.61124  66.53498       37.68153  67.84212 18.19119 68.32494 22.95960 
-0.4828186     29.29270 
1 1 1 -20 5  22 o 44.36797 16.94109 21.78874       21.27175  35.44601       
25.81486  -7.099408      37.54461  52.52037 18.91872 40.93560 18.96876 
11.58478       26.79051 
1 1 1 -20 6  1  o 30.04278 12.68868 2.908478       13.31192  12.42105       
17.99156  -8.598835      19.78823  38.80369 15.36141 30.82042 14.09488 
7.983273       20.84799 
1 1 1 -20 6  2  o 94.54631 7.694930 94.01470       14.66616  80.72849       
20.52548  107.8742       20.96362  85.48089 12.14985 99.96563 10.46772 
-14.48474      16.03721 
1 1 1 -20 6  3  o 83.56076 8.651661 73.94448       14.48825  66.63422       
20.78123  80.85815       20.20967  77.00995 13.77579 85.98550 11.87490 
-8.975555      18.18751 
1 1 1 -20 6  4  o 105.4379 8.562866 116.9186       18.20116  137.3643       
32.44447  107.5290       21.98687  110.9629 14.74343 100.0229 10.99090 
10.93993       18.38936 
1 1 1 -20 6  5  o 57.76341 12.40057 36.99064       14.13081  51.57454       
20.26693  23.19367       19.71256  67.35098 15.16302 47.17673 16.57995 
20.17424       22.46802 
1 1 1 -20 6  6  o 87.04289 8.222002 79.43879       14.38096  75.11211       
20.32136  83.77945       20.35418  83.05171 12.41327 88.12564 11.64303 
-5.073929      17.01909 
1 1 1 -20 6  7  o 94.07486 7.282320 92.04372       13.82287  89.82837       
19.00735  94.53063       20.13864  91.89668 10.35143 94.15575 10.70846 
-2.259064      14.89373 
1 1 1 -20 6  8  o 104.5953 7.153914 113.5163       15.12490  126.2934       
21.00817  99.76664       21.79310  109.5275 9.527108 96.56572 11.31235 
12.96183       14.78970 
1 1 1 -20 6  9  o 73.32675 13.11988 59.00159       18.84513  47.85331       
24.60609  74.81806       29.30849  64.39473 18.05956 80.39954 18.33294 
-16.00481      25.73411 
1 1 1 -20 6  10 o 98.50429 10.40877 102.8777       20.53420  77.94764       
29.15056  127.4322       28.93017  82.36159 17.91479 108.3743 13.41375 
-26.01273      22.38009 
1 1 1 -20 6  11 o 87.49936 9.706038 80.91717       16.97925  63.74420       
20.82806  114.9408       29.31678  75.97802 13.99631 102.3543 14.48989 
-26.37624      20.14581 
1 1 1 -20 6  12 o 162.6679 6.671761 272.6134       22.06956  279.4253       
26.75120  258.0972       39.05130  164.2136 8.010926 155.3367 12.46766 
8.876907       14.81950 
1 1 1 -20 6  13 o 42.81842 15.47996 17.55491       17.30490  40.25845       
31.46276  7.707947       20.72054  60.31100 20.96040 39.22608 16.13829 
21.08492       26.45341 
1 1 1 -20 6  14 o 84.31176 11.29649 76.27335       18.88096  59.67419       
35.77311  82.68290       22.22937  70.67046 22.28137 87.16340 12.93357 
-16.49294      25.76309 
1 1 1 -20 6  15 o 52.01017 14.19976 30.25965       15.44001  42.88991       
21.44119  16.65565       22.25235  61.18622 16.74504 44.61335 17.25200 
16.57287       24.04221 
1 1 1 -20 6  16 o 134.1170 7.007079 186.4347       19.04417  187.4335       
26.51817  185.3709       27.36694  133.2526 9.856180 132.3166 10.25093 
0.9359894      14.22061 
1 1 1 -20 6  17 o 140.2941 7.819279 205.2568       22.21915  202.9498       
27.39325  209.6936       37.98906  138.5292 9.787113 138.3466 13.68261 
0.1826172      16.82265 
1 1 1 -20 6  18 o 103.9590 8.492779 113.8350       17.79727  96.28668       
24.04354  135.1027       26.46924  93.40300 13.01203 111.5690 11.84796 
-18.16603      17.59793 
1 1 1 -20 6  19 o 41.32850 15.04261 17.14392       16.38085  4.164645       
22.34075  32.23536       24.09006  37.86149 16.22887 52.95118 18.34436 
-15.08969      24.49269 
1 1 1 -20 6  20 o 41.61171 15.05321 18.10934       16.36769  35.69831       
23.01022  0.9455587E-01  23.28708  54.32226 17.93329 36.48800 16.08847 
17.83427       24.09236 
1 1 1 -20 6  21 o 41.21038 16.48590 15.17553       20.92954  18.68371       
25.51646  7.962274       36.58856  44.72063 18.09218 45.14325 20.02215 
-0.4226112     26.98544 
1 1 1 -20 6  22 o 143.7205 7.474649 219.3969       21.77007  252.5575       
30.87150  186.5946       30.70422  151.6434 10.06836 128.4018 11.89423 
23.24165       15.58347 
1 1 1 -20 7  1  o 94.40691 7.414409 93.94114       14.11966  92.24281       
19.81690  95.69234       20.12304  91.76129 10.82863 93.50802 10.78006 
-1.746727      15.27969 
1 1 1 -20 7  2  o 115.3676 6.599118 138.6294       15.41751  137.0488       
21.37948  140.3419       22.25412  113.3605 9.358021 114.5597 9.642387 
-1.199226      13.43682 
1 1 1 -20 7  3  f 180.2573 6.221074 335.9265       22.80393  357.6398       
40.82098  326.0764       27.49398  182.4891 11.05218 176.8510 7.645022 
5.638107       13.43864 
1 1 1 -20 7  4  o 38.78552 14.94883 12.52299       16.66443  -0.7895923     
27.83923  19.95674       20.80319  40.03557 17.62465 45.34225 16.87431 
-5.306679      24.40022 
1 1 1 -20 7  5  o 85.28702 9.489390 77.22320       16.17879  67.13832       
20.37159  94.44849       26.62398  77.87919 13.34335 91.92855 14.74008 
-14.04936      19.88253 
1 1 1 -20 7  6  o 38.17448 14.10795 13.22986       14.49129  12.64415       
18.54833  14.14744       23.21611  40.21227 15.69463 43.67435 17.39906 
-3.462082      23.43179 
1 1 1 -20 7  7  o 194.0599 5.654760 386.9355       22.31523  388.8094       
27.28518  383.1498       38.78017  194.0294 6.915249 190.7501 10.03281 
3.279266       12.18515 
1 1 1 -20 7  8  o 181.4372 5.134682 337.5230       18.94485  360.6642       
26.18969  312.1231       27.43803  186.9324 6.889605 173.5457 7.774770 
13.38666       10.38815 
1 1 1 -20 7  9  o 176.8980 5.104889 320.7514       18.36372  321.9316       
25.49669  319.4793       26.47115  176.5615 7.101277 175.7690 7.405922 
0.7924957      10.26040 
1 1 1 -20 7  10 o 33.56017 13.17888 7.773879       13.14303  25.02937       
18.65302  -9.239608      18.52176  48.42720 16.15400 30.23413 13.75272 
18.19307       21.21530 
1 1 1 -20 7  11 o 158.9881 5.526842 259.3905       17.86870  249.4587       
24.83160  270.0562       25.73282  154.9831 7.905239 161.4770 7.836559 
-6.493881      11.13124 
1 1 1 -20 7  12 o 99.13647 7.728784 102.3180       15.45792  81.45805       
21.22924  125.8590       22.55231  86.76521 12.38332 109.0837 10.28821 
-22.31847      16.09950 
1 1 1 -20 7  13 o 98.63234 8.037210 101.4995       15.98023  93.84389       
22.04394  109.9785       23.19922  93.42516 11.87111 101.4188 11.44914 
-7.993614      16.49261 
1 1 1 -20 7  14 o 114.3169 8.504469 136.5916       19.62863  158.3848       
35.20286  126.7591       23.64555  120.0719 14.72601 109.2009 10.78919 
10.87102       18.25547 
1 1 1 -20 7  15 o 26.80541 12.34948 -10.43078      15.57910  -29.31138      
21.76675  9.399651       22.30754  27.51255 13.23559 40.94087 16.78277 
-13.42832      21.37387 
1 1 1 -20 7  16 o 49.93715 14.72976 27.91117       15.98083  42.88738       
21.85148  10.69044       23.43179  60.90841 16.99644 42.10523 17.22338 
18.80318       24.19760 
1 1 1 -20 7  17 f 122.8401 8.491229 158.3217       21.08086  170.7946       
25.77816  133.1389       36.62853  126.8231 10.07855 107.5375 17.33944 
19.28560       20.05576 
1 1 1 -20 7  18 o 120.3365 7.928571 151.7544       19.29317  187.2445       
26.46635  111.5085       28.18390  132.6667 9.881099 99.74715 14.30414 
32.91956       17.38518 
1 1 1 -20 7  19 o 37.87647 14.78887 11.84277       16.47427  21.93408       
22.11968  -0.7275108     24.68753  46.37976 17.37247 37.47900 16.54325 
8.900761       23.98920 
1 1 1 -20 7  20 o 63.85489 13.80480 47.31155       17.40336  64.72020       
24.67677  30.08427       24.54788  72.88341 16.96717 50.93587 18.43364 
21.94754       25.05362 
1 1 1 -20 7  21 o 66.98496 16.06279 55.13556       21.59742  47.80822       
25.63830  73.04176       40.07907  60.56676 18.82600 70.25871 23.67842 
-9.691956      30.25038 
1 1 1 -20 7  22 o 57.66416 15.31386 41.33307       18.25973  86.47180       
26.68696  1.599708       25.03815  83.25706 16.34603 36.97930 16.47310 
46.27776       23.20680 
1 1 1 -20 8  1  o 91.30101 7.766850 88.28287       14.28323  99.59584       
19.65540  75.62425       20.79153  95.64272 10.26660 81.64433 12.95570 
13.99838       16.53038 
1 1 1 -20 8  2  o 58.98805 13.23701 39.76112       15.48818  24.24284       
19.52163  66.12313       25.44388  46.90550 16.49863 74.11485 17.21190 
-27.20934      23.84228 
1 1 1 -20 8  3  o 40.45127 15.85834 13.50118       19.00197  7.184300       
25.89386  20.87268       27.97198  41.42303 17.60596 48.27467 19.14025 
-6.851635      26.00613 
1 1 1 -20 8  4  o 51.69319 13.37614 30.18369       14.16864  -8.447966      
19.02602  78.28194       21.22956  30.67654 13.94805 84.24271 12.79482 
-53.56617      18.92764 
1 1 1 -20 8  5  o 115.4606 6.551991 138.1409       15.32024  136.6649       
21.50613  139.6617       21.82967  113.7314 9.382631 114.9626 9.420411 
-1.231178      13.29579 
1 1 1 -20 8  6  o 85.90889 8.418968 77.58665       14.51881  89.65376       
20.65657  65.80470       20.41104  91.24004 11.38068 77.08534 13.51359 
14.15470       17.66740 
1 1 1 -20 8  7  o 38.50842 13.34697 14.82773       12.75328  33.81879       
18.17952  -3.574724      17.89557  54.65575 15.59172 31.73075 14.04144 
22.92500       20.98246 
1 1 1 -20 8  8  f 135.8123 5.760776 189.5646       15.91005  203.5077       
22.23751  174.9427       22.77243  139.8744 7.849737 129.3153 8.710538 
10.55914       11.72569 
1 1 1 -20 8  9  o 96.53680 7.212324 96.82584       14.05631  106.1554       
19.33636  86.37107       20.46924  100.3072 9.596746 89.67385 11.48915 
10.63338       14.96991 
1 1 1 -20 8  10 o 47.77074 13.31158 25.24167       13.41360  19.32039       
17.78323  33.05706       20.43048  44.16666 15.72410 54.32771 16.79221 
-10.16105      23.00491 
1 1 1 -20 8  11 o 135.5745 6.253060 189.1477       17.23939  190.6784       
23.87609  187.4805       24.91761  135.0941 8.737912 133.7501 9.217654 
1.344070       12.70103 
1 1 1 -20 8  12 f 141.6181 6.107956 206.2768       17.59001  192.1738       
24.17502  222.1431       25.64179  135.5902 8.815618 145.8757 8.683249 
-10.28555      12.37392 
1 1 1 -20 8  13 o 153.1433 5.794106 240.9736       18.04413  265.8153       
25.75647  217.0302       25.28651  160.1240 7.910038 144.1688 8.665379 
15.95514       11.73275 
1 1 1 -20 8  14 o 55.37020 17.41296 34.51195       21.86220  0.000000       
0.000000  34.51195       21.86220  ?        ?        55.37020 17.41296 
0.000000       17.41296 
1 1 1 -20 8  15 o 91.64807 13.68025 92.34801       24.71511  0.000000       
0.000000  92.34801       24.71511  ?        ?        91.64807 13.68025 
0.000000       13.68025 
1 1 1 -20 8  16 o 157.2772 7.186553 256.1808       22.98464  258.3539       
37.32315  254.8531       29.17275  155.0977 11.92510 155.6885 9.256138 
-0.5908356     15.09583 
1 1 1 -20 8  17 o 116.0124 8.870526 141.8048       20.76832  176.4444       
34.25733  121.6754       26.11454  126.7217 13.50179 105.6738 12.38746 
21.04794       18.32342 
1 1 1 -20 8  18 o 42.86865 16.83806 15.48837       21.45926  16.32403       
28.66789  14.42340       32.36293  46.65673 19.06406 47.54086 19.91561 
-0.8841362     27.56936 
1 1 1 -20 8  19 o 80.43716 12.39785 72.06413       19.62780  62.97149       
30.82383  78.26559       25.45591  70.34320 20.37411 81.75408 15.88422 
-11.41088      25.83434 
1 1 1 -20 8  20 o 89.94724 10.02597 87.98187       18.02653  84.87197       
25.10303  91.29301       25.90250  85.05685 15.06466 88.36423 14.94806 
-3.307381      21.22236 
1 1 1 -20 8  21 o 54.12364 17.09565 36.77447       21.05186  22.02709       
24.93340  73.39059       39.28803  45.84819 18.10475 70.31425 23.44370 
-24.46605      29.62076 
1 1 1 -20 8  22 o 70.78956 13.22664 59.16228       18.34002  51.10147       
25.18983  68.25539       26.75420  61.55405 18.57276 71.72443 18.28728 
-10.17038      26.06476 
1 1 1 -20 9  1  o 92.55714 7.554667 90.62253       14.09524  81.99038       
19.77170  99.54345       20.09969  85.79244 11.63298 95.34924 10.54261 
-9.556801      15.69945 
1 1 1 -20 9  2  o 55.43131 14.31799 35.79787       16.25313  47.74622       
28.58039  30.08687       19.75925  61.63446 19.96752 50.76981 16.61138 
10.86465       25.97383 
1 1 1 -20 9  3  o 86.04221 8.697451 78.59642       15.00895  62.50280       
21.03805  95.27786       21.41881  73.91149 14.51520 93.41824 11.51887 
-19.50674      18.53039 
1 1 1 -20 9  4  o 75.65425 9.701020 61.32964       14.58078  48.88082       
20.60210  73.82265       20.63863  64.88943 15.76793 81.66326 12.85283 
-16.77383      20.34264 
1 1 1 -20 9  5  o 55.47335 12.70069 34.40582       14.01836  34.68502       
19.25240  34.09074       20.45184  54.96039 16.15484 54.53129 16.79204 
0.4291000      23.30132 
1 1 1 -20 9  6  o 26.17497 11.73193 -4.648477      12.90986  -31.75984      
19.00039  18.60075       17.59508  24.33883 11.86218 43.34436 15.61838 
-19.00552      19.61237 
1 1 1 -20 9  7  o 134.6639 5.763125 186.4949       15.78195  183.9605       
21.92996  189.2175       22.72961  132.7598 8.162619 134.5708 8.347137 
-1.811035      11.67489 
1 1 1 -20 9  8  o 84.51048 11.80918 77.21999       19.74024  0.000000       
0.000000  77.21999       19.74024  ?        ?        84.51048 11.80918 
0.000000       11.80918 
1 1 1 -20 9  9  f 157.0374 6.184010 253.8539       19.74807  228.6690       
30.85105  271.3365       25.70416  147.0883 10.38096 161.7645 7.813919 
-14.67619      12.99314 
1 1 1 -20 9  10 o 123.8339 7.172391 158.9819       17.98421  182.1727       
28.59484  143.8056       23.13199  131.0266 10.82896 116.7618 9.833837 
14.26478       14.62773 
1 1 1 -20 9  11 f 85.43679 9.416147 77.13811       16.08779  89.52459       
26.46036  69.87415       20.26323  89.71403 15.03591 79.96623 12.89992 
9.747795       19.81127 
1 1 1 -20 9  12 o 102.8922 8.287418 110.6507       17.19316  92.60584       
26.80684  123.2609       22.40938  91.30814 14.95516 107.8419 10.34556 
-16.53372      18.18481 
1 1 1 -20 9  13 o 53.56942 13.00059 31.90941       14.01878  30.64236       
19.39485  33.29560       20.28628  52.44407 16.38604 54.40998 16.71884 
-1.965916      23.40986 
1 1 1 -20 9  14 o 148.7869 6.011123 227.7829       18.18745  242.6653       
25.39621  212.1143       26.05845  152.5837 8.215087 142.2508 9.055402 
10.33287       12.22653 
1 1 1 -20 9  15 o 38.51165 15.46074 9.719174       18.47870  93.70522       
32.87582  -29.06867      22.34194  89.48624 18.67015 28.02553 13.46368 
61.46071       23.01837 
1 1 1 -20 9  16 o 21.16582 10.38640 -29.10127      15.32305  -24.28351      
21.12301  -34.45259      22.26197  28.00577 13.35535 26.74281 12.98979 
1.262960       18.63062 
1 1 1 -20 9  17 o 89.18317 9.366186 84.55200       16.73253  86.29027       
23.13620  82.64576       24.22830  88.24516 13.30636 85.74071 14.40677 
2.504448       19.61159 
1 1 1 -20 9  18 o 131.7199 8.130219 182.3031       21.67089  177.3578       
26.79194  191.6611       36.85504  128.6540 10.32775 131.0261 14.05138 
-2.372101      17.43857 
1 1 1 -20 9  19 o 98.77749 8.930237 104.0325       17.74395  108.1771       
24.35288  99.34222       25.90661  98.69986 12.40761 93.45099 14.06867 
5.248871       18.75836 
1 1 1 -20 9  20 o 98.52480 9.225127 104.5613       18.26769  110.8331       
25.36821  97.80635       26.32732  98.92636 12.91882 91.59090 14.62738 
7.335464       19.51553 
1 1 1 -20 9  21 o 110.2234 8.989082 131.3199       19.97295  165.7050       
28.10278  96.22483       28.39145  121.6897 11.49256 88.47315 16.38403 
33.21655       20.01288 
1 1 1 -20 9  22 o 63.21775 14.57363 49.01204       18.35146  39.89181       
25.51741  58.78255       26.41144  54.40380 18.87816 65.66303 18.81366 
-11.25924      26.65218 
1 1 1 -20 10 1  o 79.84887 10.43957 70.14154       16.54543  77.62622       
29.01278  66.53419       20.14174  78.19782 18.52888 75.86687 13.55281 
2.330948       22.95644 
1 1 1 -20 10 2  o 27.29075 12.44887 -7.167717      15.31232  -24.41751      
26.45304  1.524610       18.77810  31.74280 15.08314 33.91382 14.70914 
-2.171019      21.06798 
1 1 1 -20 10 3  o 41.96709 13.54251 19.37522       13.15653  -3.049388      
18.34762  43.10979       18.87591  31.87513 14.15594 60.69843 15.29791 
-28.82331      20.84266 
1 1 1 -20 10 4  o 48.64110 13.39443 26.76960       13.66955  37.26568       
18.59327  14.42319       20.16566  56.64047 15.63160 41.66637 16.33616 
14.97410       22.61011 
1 1 1 -20 10 5  o 38.96049 14.09338 14.68883       14.34666  -2.432871      
24.05226  24.14484       17.87459  36.88659 16.30299 47.08463 15.81318 
-10.19804      22.71220 
1 1 1 -20 10 6  o 55.08331 13.75668 34.22918       15.36339  51.15613       
25.96259  25.10789       19.05842  65.69194 18.59556 48.18181 16.32772 
17.51013       24.74650 
1 1 1 -20 10 7  o 110.8840 7.441222 128.0054       16.68168  100.3668       
25.76300  147.9591       21.89022  95.47826 13.65826 118.5621 9.150093 
-23.08382      16.43996 
1 1 1 -20 10 8  o 185.5374 5.007142 353.0147       18.89177  357.2719       
26.72543  348.7628       26.70859  185.8689 7.070769 183.6058 7.153409 
2.263046       10.05818 
1 1 1 -20 10 9  o 138.4809 5.756782 197.1388       16.21142  196.1474       
22.81979  198.1490       23.03454  137.1273 8.221388 137.8122 8.257456 
-0.6848755     11.65233 
1 1 1 -20 10 10 o 113.9393 6.576885 134.2958       15.17382  125.9405       
21.08954  143.2634       21.84864  109.2783 9.587226 116.7272 9.281154 
-7.448929      13.34371 
1 1 1 -20 10 11 o 123.7353 6.322077 158.0921       15.85451  158.9098       
21.97367  157.2041       22.89821  123.1685 8.831699 122.3194 9.274673 
0.8490753      12.80697 
1 1 1 -20 10 12 o 111.5034 7.083298 128.9774       15.97776  142.7873       
22.87040  115.8111       22.33117  116.3372 9.757385 104.3162 10.67757 
12.02106       14.46434 
1 1 1 -20 10 13 o 206.9158 5.175901 439.1916       21.77866  435.1266       
30.19338  443.6003       31.44403  205.0934 7.239500 206.9658 7.471163 
-1.872360      10.40330 
1 1 1 -20 10 14 o 61.49738 11.89813 41.50253       14.34147  38.73056       
19.64286  44.66703       20.98766  58.20683 16.06792 62.34514 16.35179 
-4.138309      22.92507 
1 1 1 -20 10 15 o 101.5292 8.393492 108.1326       17.17406  106.1539       
23.91485  110.2397       24.67873  98.97612 12.13618 100.8065 12.29344 
-1.830353      17.27470 
1 1 1 -20 10 16 o 130.4890 8.263218 178.3236       21.81355  184.3671       
37.32129  175.1878       26.88357  128.9468 14.48345 128.2550 10.39717 
0.6917725      17.82895 
1 1 1 -20 10 17 o 49.24561 14.61774 27.50264       15.69847  40.46973       
22.17443  14.47324       22.22764  58.62161 17.36679 42.82984 17.03660 
15.79177       24.32799 
1 1 1 -20 10 18 o 85.20843 11.29521 79.32880       19.08931  85.21059       
23.58636  68.16064       32.50102  86.95483 13.79970 73.29667 20.82586 
13.65816       24.98296 
1 1 1 -20 10 19 o 86.80345 10.18028 81.79359       17.62878  96.63079       
24.37851  65.53117       25.52254  92.46537 13.35194 73.32384 17.38179 
19.14153       21.91805 
1 1 1 -20 10 20 o 72.75727 14.45205 62.35131       20.62863  55.18351       
24.52305  79.69770       38.14927  66.04819 17.83871 74.91084 22.91189 
-8.862648      29.03746 
1 1 1 -20 10 21 o 131.9767 7.657021 185.2740       20.46152  186.4206       
28.65946  184.0820       29.22269  129.4275 10.99307 128.2814 11.31828 
1.146011       15.77818 
1 1 1 -20 11 1  o 104.6821 9.491594 118.7524       19.98549  0.000000       
0.000000  118.7524       19.98549  ?        ?        104.6821 9.491594 
0.000000       9.491594 
1 1 1 -20 11 2  o 26.83351 12.27221 -7.418489      15.00396  -7.482652      
23.66882  -7.375382      19.39989  34.13556 15.53480 30.87096 14.05497 
3.264599       20.94927 
1 1 1 -20 11 3  o 128.0702 7.100265 171.4330       18.41919  170.5093       
29.88899  171.9985       23.38802  124.7097 11.93144 127.1820 9.103274 
-2.472374      15.00763 
1 1 1 -20 11 4  o 59.73993 11.29732 39.41889       13.22156  35.41356       
18.97599  43.19790       18.43209  55.09234 15.99431 61.07967 14.95878 
-5.987328      21.89939 
1 1 1 -20 11 5  o 30.33848 12.65821 3.338262       12.99903  0.2593018      
17.80017  6.856634       19.02800  33.03949 14.32547 37.10521 15.38405 
-4.065723      21.02113 
1 1 1 -20 11 6  o 42.42787 13.60791 19.47988       13.29931  1.076307       
19.21751  36.39452       18.42373  34.65833 14.95610 56.29244 15.57027 
-21.63411      21.58977 
1 1 1 -20 11 7  o 82.97491 8.413731 72.49038       14.00036  66.17255       
19.13962  79.76135       20.53269  77.64828 12.54938 85.58327 12.13804 
-7.934998      17.45907 
1 1 1 -20 11 8  o 118.5266 6.235943 145.1847       14.97751  154.1544       
21.46865  136.6796       20.90536  121.2060 8.769448 113.9583 9.096928 
7.247650       12.63556 
1 1 1 -20 11 9  o 124.9026 6.053320 160.6206       15.37505  149.2796       
21.35353  172.8299       22.15586  119.2643 8.867988 128.5187 8.525963 
-9.254433      12.30176 
1 1 1 -20 11 10 o 56.00150 12.12113 34.62329       13.40321  29.64125       
18.13444  40.62150       19.89808  51.48543 15.80513 59.59890 16.05695 
-8.113468      22.53060 
1 1 1 -20 11 11 o 143.2733 5.805396 211.0786       16.91409  219.2191       
23.50506  202.3366       24.35801  145.0766 7.998230 139.0786 8.655430 
5.997986       11.78508 
1 1 1 -20 11 12 o 34.54492 13.47112 8.775053       13.65601  4.863403       
18.22831  13.77880       20.61646  35.83634 14.97404 42.08160 16.51203 
-6.245262      22.29055 
1 1 1 -20 11 13 o 119.0308 6.712611 146.7295       16.18178  146.4318       
22.30838  147.0600       23.50768  117.8989 9.382432 117.9251 9.894299 
-0.2619934E-01 13.63551 
1 1 1 -20 11 14 o 105.9765 7.483448 117.0031       16.02367  118.1027       
22.26044  115.8207       23.08377  105.2581 10.54154 103.9754 11.08860 
1.282722       15.29972 
1 1 1 -20 11 15 o 32.56575 13.57746 3.994211       14.93989  -4.922041      
20.06562  15.08560       22.37970  32.97086 14.71279 43.51726 17.16264 
-10.54640      22.60581 
1 1 1 -20 11 16 o 82.27448 12.16929 74.16062       19.74591  79.14530       
35.44490  71.91750       23.77726  79.69807 21.41319 79.44349 15.27288 
0.2545853      26.30182 
1 1 1 -20 11 17 o 96.12986 8.916994 97.96680       17.23279  130.8323       
24.05675  63.32701       24.69759  110.1618 10.88097 73.24924 16.92129 
36.91257       20.11779 
1 1 1 -20 11 18 o 48.35968 15.33218 26.77078       16.92054  42.61409       
23.26358  8.974781       24.65555  59.35153 17.83511 41.16846 17.32156 
18.18307       24.86217 
1 1 1 -20 11 19 o 44.10925 15.82093 21.11168       18.03478  17.09622       
22.24809  28.80677       30.79868  43.27640 17.09796 51.56407 20.19650 
-8.287674      26.46203 
1 1 1 -20 11 20 o 79.29755 13.36083 72.70890       20.77901  48.85111       
24.24869  138.6433       40.31151  61.70028 18.12866 103.3285 19.90683 
-41.62827      26.92452 
1 1 1 -20 11 21 o 55.07124 15.41162 37.73695       17.93958  50.53439       
25.75367  25.67399       25.00373  61.26500 18.83960 47.08961 18.26566 
14.17539       26.24052 
1 1 1 -20 12 1  o 55.53713 13.82607 36.68256       15.55397  74.08737       
28.10385  20.16644       18.67480  75.79711 18.41495 43.04034 15.99370 
32.75677       24.39075 
1 1 1 -20 12 2  o 102.7539 7.040852 110.9595       14.62340  108.3818       
20.12515  113.8429       21.28475  99.90512 10.04203 102.1880 10.38717 
-2.282829      14.44769 
1 1 1 -20 12 3  o 78.63091 8.918554 66.18509       14.00840  81.32272       
19.08746  48.51340       20.62331  86.11249 11.16276 63.83927 15.93588 
22.27322       19.45661 
1 1 1 -20 12 4  o 106.1785 6.950957 117.6828       14.92550  100.2555       
20.26303  138.3531       22.06798  96.35963 10.51140 113.8577 9.621304 
-17.49809      14.24988 
1 1 1 -20 12 5  o 104.4856 6.997278 113.8056       14.78155  111.4339       
20.79036  116.2301       21.02007  102.0198 10.15635 104.2706 10.03736 
-2.250824      14.27936 
1 1 1 -20 12 6  o 122.8806 6.240538 156.3040       15.54278  148.4066       
22.04442  164.1109       21.91775  118.4908 9.221396 124.8983 8.683537 
-6.407555      12.66641 
1 1 1 -20 12 7  o 84.56879 8.211602 75.22256       13.94375  67.46214       
19.20867  83.86700       20.27325  78.37641 12.46980 87.95155 11.61968 
-9.575134      17.04444 
1 1 1 -20 12 8  o 130.1133 6.019329 174.4145       15.92653  176.4532       
21.56297  171.9673       23.62503  129.9065 8.204712 127.8107 9.150320 
2.095757       12.29006 
1 1 1 -20 12 9  o 114.0347 6.546169 134.6565       15.11652  130.0442       
20.60779  140.0291       22.24156  111.0827 9.205878 115.1264 9.587501 
-4.043724      13.29167 
1 1 1 -20 12 10 o 84.07491 8.637096 74.45553       14.55689  82.49699       
20.21652  65.79714       20.97768  87.35847 11.67210 76.90642 13.92627 
10.45206       18.17083 
1 1 1 -20 12 11 o 97.12545 7.290701 98.20655       14.29464  88.18849       
19.49874  109.8465       21.01799  90.75747 10.77562 101.6112 10.31479 
-10.85375      14.91673 
1 1 1 -20 12 12 o 143.1679 5.917720 210.9632       17.22866  197.4413       
23.14515  227.7657       25.80060  137.4610 8.319160 147.5212 8.638179 
-10.06027      11.99277 
1 1 1 -20 12 13 o 145.7312 5.873640 218.5952       17.40649  203.6635       
23.66010  236.2114       25.69912  139.5609 8.375577 150.3003 8.442465 
-10.73936      11.89225 
1 1 1 -20 12 14 o 48.30759 14.05146 26.10851       14.63338  47.41412       
20.18533  2.507817       21.24473  64.28733 15.59904 36.89795 15.82109 
27.38938       22.21794 
1 1 1 -20 12 15 o 38.05938 14.46972 12.46692       15.47630  21.97136       
20.96609  1.088057       22.94053  46.63272 17.01134 37.44615 16.24953 
9.186573       23.52516 
1 1 1 -20 12 16 o 83.48946 11.95033 76.31798       19.71035  105.0393       
36.24127  64.25418       23.48783  93.11073 19.75239 74.47638 15.98664 
18.63435       25.41121 
1 1 1 -20 12 17 o 129.4871 7.199042 175.0304       18.88140  176.8602       
26.30390  173.0853       27.11943  128.5444 10.14519 126.8636 10.60956 
1.680801       14.67950 
1 1 1 -20 12 18 o 161.6877 6.388501 271.4043       21.00522  272.5040       
28.72779  270.1409       30.79118  160.2931 8.847506 159.0448 9.564881 
1.248367       13.02940 
1 1 1 -20 12 19 o 80.34761 12.34386 72.75185       19.52343  80.91833       
23.98714  56.72472       33.60384  83.20378 14.71534 64.90152 21.68239 
18.30226       26.20433 
1 1 1 -20 12 20 o 135.8616 8.623075 197.9895       23.70031  190.1376       
28.30393  216.4119       43.35427  131.3225 10.69160 133.6965 16.28260 
-2.374023      19.47906 
1 1 1 -20 12 21 f 114.2133 8.399053 140.6973       19.37049  166.8277       
27.74736  115.8567       27.05383  121.6404 11.34845 98.96993 13.81930 
22.67047       17.88185 
1 1 1 -20 13 1  o 49.50037 14.30765 29.53508       15.21484  18.79220       
27.73515  34.15971       18.19738  44.98137 18.60516 52.52415 15.77187 
-7.542782      24.39065 
1 1 1 -20 13 2  o 43.44129 13.37157 21.69681       12.97002  4.684240       
18.53053  38.03558       18.15985  34.84369 14.85361 56.11853 15.43223 
-21.27485      21.41924 
1 1 1 -20 13 3  o 28.98571 12.40939 1.458032       13.03407  13.60642       
18.03578  -11.82267      18.85758  39.51962 15.46184 28.97459 13.43230 
10.54503       20.48158 
1 1 1 -20 13 4  o 38.13094 13.64412 14.62471       13.40579  25.41744       
19.03275  3.998453       18.88540  47.66691 16.31592 35.29654 15.01965 
12.37037       22.17655 
1 1 1 -20 13 5  o 64.73973 10.81225 45.85209       13.73234  30.00129       
19.35820  61.90849       19.48334  51.15284 16.41878 74.20369 13.40513 
-23.05085      21.19608 
1 1 1 -20 13 6  o 100.2173 7.024083 104.7012       14.22427  95.07442       
19.88062  114.7982       20.36026  94.01511 10.58274 103.8070 9.759658 
-9.791855      14.39602 
1 1 1 -20 13 7  o 127.7698 6.070245 168.4119       15.77197  190.2548       
21.86670  144.7258       22.77062  134.8679 8.008956 116.8045 9.673648 
18.06337       12.55877 
1 1 1 -20 13 8  o 36.97970 13.05500 13.44998       12.23364  2.802994       
16.67537  25.85945       18.00274  33.39734 14.15871 48.43511 15.85627 
-15.03777      21.25771 
1 1 1 -20 13 9  o 142.3420 5.504540 208.3210       15.93329  172.1434       
21.41575  253.1745       23.84577  128.2634 8.254519 156.1754 7.508395 
-27.91206      11.15854 
1 1 1 -20 13 10 f 204.7278 4.827285 429.7798       20.09700  422.3241       
27.56125  438.2448       29.36757  202.1555 6.704432 205.7719 7.018277 
-3.616409      9.705958 
1 1 1 -20 13 11 o 165.2781 5.306379 280.5829       17.83467  292.5918       
24.72120  267.5491       25.75459  168.0509 7.233979 160.4133 7.895192 
7.637619       10.70815 
1 1 1 -20 13 12 o 34.54813 13.45941 8.941674       13.62219  32.70685       
18.96783  -16.37176      19.57594  53.63572 16.10153 28.73739 13.44329 
24.89833       20.97573 
1 1 1 -20 13 13 o 83.82307 8.714200 74.17710       14.63685  68.62263       
20.23540  80.27222       21.19735  78.82697 13.08234 85.63851 12.54384 
-6.811539      18.12445 
1 1 1 -20 13 14 o 144.9796 6.173122 216.8632       18.19966  224.9696       
24.85300  207.4894       26.72527  146.5550 8.373990 140.1789 9.430204 
6.376114       12.61160 
1 1 1 -20 13 15 o 112.2146 7.615643 131.6190       17.27542  134.1660       
23.66008  128.7106       25.28285  111.9461 10.51663 109.0574 11.57744 
2.888771       15.64087 
1 1 1 -20 13 16 o 35.74542 14.28422 8.872573       15.69394  4.550128       
20.83993  14.53534       23.85315  37.16122 15.79460 43.56630 17.53902 
-6.405075      23.60268 
1 1 1 -20 13 17 o 58.53542 15.92030 40.45213       19.45197  31.79145       
33.58744  44.82302       23.86085  54.45178 21.15645 60.80471 18.01544 
-6.352936      27.78761 
1 1 1 -20 13 18 o 58.30956 14.13211 39.63571       16.58208  33.04065       
22.25652  47.86401       24.86010  52.69390 17.64559 62.02862 18.39126 
-9.334717      25.48735 
1 1 1 -20 13 19 o 68.72646 16.62592 58.11890       22.98319  58.11890       
22.98319  0.000000       0.000000  68.72646 16.62592 ?        ?        
0.000000       16.62592 
1 1 1 -20 13 20 o 37.16298 14.81175 11.97165       16.83182  2.539770       
23.69882  21.57251       23.91016  36.78129 16.22330 45.05655 17.74930 
-8.275257      24.04648 
1 1 1 -20 13 21 o 90.28737 10.51196 91.34067       18.93891  61.33582       
26.48646  122.7311       27.09112  67.05239 18.71292 102.0622 13.37491 
-35.00985      23.00134 
1 1 1 -20 14 1  o 35.46160 13.22441 12.66029       12.79002  81.04407       
28.33241  -4.842148      14.33363  78.93151 18.04469 26.76904 12.14634 
52.16248       21.75188 
1 1 1 -20 14 2  o 64.19030 10.69260 45.94942       13.46638  32.61473       
18.55320  60.79587       19.57666  51.73569 16.00397 72.07643 13.85990 
-20.34074      21.17130 
1 1 1 -20 14 3  o 62.66940 10.80343 43.56928       13.27076  36.12914       
19.32559  50.20826       18.25548  54.72756 16.21280 65.63135 14.09870 
-10.90379      21.48553 
1 1 1 -20 14 4  o 26.70564 11.81062 -2.292449      12.64240  -6.256636      
17.75724  1.782418       18.00342  29.99724 13.57403 33.51702 14.46975 
-3.519783      19.84006 
1 1 1 -20 14 5  o 77.51967 12.98789 67.29489       19.74971  0.000000       
0.000000  67.29489       19.74971  ?        ?        77.51967 12.98789 
0.000000       12.98789 
1 1 1 -20 14 6  o 170.3726 5.220884 298.6654       18.08820  303.9762       
25.86418  293.5812       25.30610  170.8405 7.444859 167.9119 7.411262 
2.928543       10.50489 
1 1 1 -20 14 7  o 62.47550 11.00513 42.71700       13.47082  22.32287       
19.08114  62.98112       19.02023  46.06327 16.29970 75.30540 12.88357 
-29.24213      20.77659 
1 1 1 -20 14 8  o 42.84040 13.20142 20.15719       12.63802  19.46103       
16.87393  21.04665       19.07317  43.46833 15.33374 45.32644 16.26870 
-1.858105      22.35607 
1 1 1 -20 14 9  o 141.7701 5.735528 206.9588       16.53520  198.6426       
22.85887  216.0861       23.94770  137.7693 8.196259 143.6936 8.229727 
-5.924316      11.61495 
1 1 1 -20 14 10 o 72.02278 9.362027 55.30997       13.38747  46.27855       
19.01599  64.18496       18.85058  63.67534 14.94267 76.36189 12.57737 
-12.68654      19.53135 
1 1 1 -20 14 11 o 172.0988 5.294730 304.3448       18.52990  298.1258       
25.70143  311.0765       26.73989  169.4571 7.458406 173.0304 7.599512 
-3.573303      10.64802 
1 1 1 -20 14 12 o 196.4565 5.115776 396.3462       20.43758  408.8842       
28.87325  383.7561       28.93304  198.6052 7.149136 192.2745 7.399818 
6.330750       10.28919 
1 1 1 -20 14 13 o 108.4433 7.292248 122.5683       15.98762  112.2940       
21.97621  134.1193       23.30180  102.3377 10.71910 112.1190 10.33658 
-9.781303      14.89107 
1 1 1 -20 14 14 o 70.88909 10.74384 54.50589       15.00242  66.38908       
20.89024  41.84990       21.55882  76.92812 13.86383 59.75687 16.95563 
17.17125       21.90203 
1 1 1 -20 14 15 o 102.8618 8.006707 111.1510       16.61592  108.6796       
22.15886  114.3256       25.11462  100.2787 11.04987 102.1560 12.33961 
-1.877235      16.56398 
1 1 1 -20 14 16 o 54.90266 13.91565 34.59466       15.55656  61.98523       
21.69594  5.611341       22.31783  73.28286 15.06220 38.49361 16.35262 
34.78925       22.23236 
1 1 1 -20 14 17 o 109.3351 9.745037 128.2753       21.43965  147.9736       
37.93155  119.0280       25.98933  111.7387 17.24875 103.5109 12.60731 
8.227814       21.36501 
1 1 1 -20 14 18 o 178.7617 6.022101 331.7042       21.89143  338.4552       
30.54658  324.5757       31.38891  178.8503 8.398882 174.5590 8.871837 
4.291260       12.21682 
1 1 1 -20 14 19 o 96.35878 12.87722 105.9799       24.60152  105.9799       
24.60152  0.000000       0.000000  96.35878 12.87722 ?        ?        
0.000000       12.87722 
1 1 1 -20 14 20 o 32.31568 13.97834 2.890095       16.86739  22.97140       
23.77157  -17.47248      23.93747  45.45594 17.76024 30.74352 14.53139 
14.71243       22.94749 
1 1 1 -20 14 21 o 37.22419 15.24278 11.77947       18.37672  0.3478188      
30.01038  18.63749       23.24430  38.55210 17.52457 42.48003 17.23910 
-3.927929      24.58246 
1 1 1 -20 15 1  o 20.70604 9.982464 -16.52593      12.53961  24.25575       
27.30771  -27.42299      14.11586  46.45748 18.74390 19.73315 9.738573 
26.72433       21.12283 
1 1 1 -20 15 2  o 48.46864 14.41938 28.14957       15.26260  45.84163       
29.33124  21.58044       17.87291  58.44041 20.24203 43.68597 15.74124 
14.75444       25.64228 
1 1 1 -20 15 3  o 93.61607 7.652110 92.83395       14.44007  123.0920       
20.14330  60.84560       20.71124  106.8629 9.363867 71.84392 14.67243 
35.01897       17.40581 
1 1 1 -20 15 4  o 27.15369 11.90708 -1.185921      12.59774  -0.6509061E-01 
18.32314  -2.190692      17.34857  32.85422 14.38463 31.15715 13.80453 
1.697071       19.93697 
1 1 1 -20 15 5  o 106.2457 9.660135 120.9449       20.64309  120.9449       
20.64309  0.000000       0.000000  106.2457 9.660135 ?        ?        
0.000000       9.660135 
1 1 1 -20 15 6  o 51.73111 12.69814 30.29993       13.25910  16.31418       
18.79568  44.15408       18.70704  41.90620 15.94281 61.63089 15.05541 
-19.72469      21.92803 
1 1 1 -20 15 7  o 120.6861 6.354659 151.0981       15.54060  134.8281       
21.56535  168.6749       22.41471  112.6003 9.507040 126.4191 8.773353 
-13.81886      12.93660 
1 1 1 -20 15 8  o 96.00499 7.254999 96.28349       14.05933  70.25115       
18.65727  130.4902       21.38687  80.11676 11.80565 110.8109 9.585429 
-30.69410      15.20703 
1 1 1 -20 15 9  o 56.86987 11.93671 35.91383       13.36452  51.42994       
18.70102  19.71831       19.10606  67.40282 14.09707 44.44442 16.23525 
22.95839       21.50141 
1 1 1 -20 15 10 o 108.3040 6.840533 121.9481       14.98817  122.3547       
20.80184  121.5091       21.61445  107.3429 9.632146 106.7583 10.07528 
0.5846024      13.93878 
1 1 1 -20 15 11 o 127.9636 6.148002 168.9978       15.99823  160.7802       
22.04642  178.1383       23.25147  123.5591 8.832518 130.0815 8.842385 
-6.522400      12.49805 
1 1 1 -20 15 12 o 31.75803 13.04661 4.885023       13.51723  -11.22904      
18.33626  24.06573       20.00509  29.09123 13.40080 47.54984 16.70300 
-18.45861      21.41428 
1 1 1 -20 15 13 o 66.07405 11.28231 47.80554       14.61511  41.83506       
20.13881  54.44877       21.24315  59.91869 16.15828 68.67453 15.57039 
-8.755836      22.43941 
1 1 1 -20 15 14 o 85.59512 8.965999 77.80417       15.37466  81.91737       
21.38011  73.39932       22.12511  86.17194 12.57102 80.76516 13.97734 
5.406776       18.79884 
1 1 1 -20 15 15 o 127.3445 6.828528 168.8314       17.61866  160.1635       
24.25714  178.5102       25.63282  122.5086 9.819449 129.3731 9.816360 
-6.864548      13.88461 
1 1 1 -20 15 16 o 76.76611 10.67128 64.24350       16.20800  71.36434       
22.77182  56.93221       23.07433  78.73966 14.76415 69.09913 16.62356 
9.640533       22.23337 
1 1 1 -20 15 17 o 42.71253 16.27612 17.79130       19.60986  25.51531       
33.12342  13.62320       24.33225  51.03549 20.62510 42.69707 17.51819 
8.338417       27.06071 
1 1 1 -20 15 18 o 45.45845 16.41039 23.05882       19.43734  24.99346       
23.04271  18.28640       36.19118  47.44602 17.73920 48.56034 20.73096 
-1.114323      27.28465 
1 1 1 -20 15 19 o 102.5913 9.425994 114.4760       19.44484  110.2920       
25.92410  119.8576       29.40127  97.57990 13.41962 100.4757 14.83607 
-2.895775      20.00488 
1 1 1 -20 15 20 o 35.51571 14.75976 8.802195       17.57420  14.81443       
24.67484  2.612454       25.03644  41.63956 17.41230 37.13742 16.51251 
4.502140       23.99690 
1 1 1 -20 15 21 o 66.04990 15.06121 54.90999       19.78067  61.51553       
31.83846  50.75748       25.24374  63.56069 21.10018 60.12827 18.67908 
3.432419       28.18023 
1 1 1 -20 16 1  o 54.65139 13.42747 36.30593       14.81551  42.72129       
28.05277  33.82439       17.44719  55.00854 19.73155 51.56304 15.43434 
3.445496       25.05100 
1 1 1 -20 16 2  o 79.43158 10.25396 70.01348       16.17620  86.34203       
31.54686  64.18870       18.84179  80.25074 19.51861 74.24520 12.95063 
6.005539       23.42424 
1 1 1 -20 16 3  o 81.93719 8.332879 71.96664       13.69120  82.08999       
19.67916  62.47007       19.06023  85.61745 11.60180 73.52886 13.23398 
12.08859       17.59943 
1 1 1 -20 16 4  o 132.3817 8.302485 185.9460       22.23739  185.9460       
22.23739  0.000000       0.000000  132.3817 8.302485 ?        ?        
0.000000       8.302485 
1 1 1 -20 16 5  o 49.13664 13.05507 27.70234       13.26653  43.74993       
18.89391  12.09613       18.63226  60.83611 15.29015 39.06165 15.57899 
21.77446       21.82874 
1 1 1 -20 16 6  o 80.75710 8.555931 69.36436       13.83675  61.49799       
19.43192  77.45518       19.70721  73.68571 13.46441 83.76398 11.90452 
-10.07827      17.97241 
1 1 1 -20 16 7  o 60.96910 11.40166 41.13708       13.61639  39.46999       
18.83528  42.96212       19.70729  58.06366 15.61338 60.47742 15.83708 
-2.413757      22.23939 
1 1 1 -20 16 8  o 152.6827 5.462596 240.1554       16.96057  239.3933       
23.15224  241.0380       24.91654  151.5637 7.511840 151.5812 8.112761 
-0.1747131E-01 11.05643 
1 1 1 -20 16 9  o 121.8024 6.267182 153.7698       15.47053  150.5177       
21.65113  157.1622       22.11346  119.3165 8.989400 121.9386 8.981145 
-2.622101      12.70710 
1 1 1 -20 16 10 o 55.40820 12.24807 34.32138       13.43344  60.39951       
18.39269  4.505203       19.66677  73.75185 12.72336 36.38933 15.39888 
37.36253       19.97522 
1 1 1 -20 16 11 o 123.2739 6.504166 157.6736       16.24704  147.9556       
22.16802  168.9516       23.88107  118.1738 9.299889 126.2878 9.365839 
-8.113930      13.19875 
1 1 1 -20 16 12 o 135.1441 6.053613 188.5954       16.63654  176.6422       
23.21343  201.2183       23.85493  129.3824 8.876608 138.3187 8.522473 
-8.936295      12.30556 
1 1 1 -20 16 13 o 145.6745 6.139824 219.3192       18.18825  220.4054       
25.17739  218.1336       26.30369  144.6856 8.595868 143.6710 9.049425 
1.014557       12.48123 
1 1 1 -20 16 14 o 73.41805 10.54080 58.54657       15.28580  53.99518       
20.99052  63.68537       22.30398  68.10985 15.50333 74.24055 15.28304 
-6.130699      21.76980 
1 1 1 -20 16 15 o 143.4716 6.279443 213.2782       18.32055  215.7804       
25.75707  210.7159       26.06398  142.7153 8.919864 140.8789 9.147460 
1.836380       12.77654 
1 1 1 -20 16 16 o 53.78899 13.98487 33.57395       15.43932  25.51476       
21.43564  42.26219       22.25649  48.02670 17.24589 58.99016 17.37814 
-10.96346      24.48307 
1 1 1 -20 16 17 o 66.51964 12.69015 50.39443       16.53957  28.81081       
22.30849  76.74008       24.64691  49.79085 17.62373 80.46201 15.62658 
-30.67116      23.55389 
1 1 1 -20 16 18 o 80.89633 16.97575 80.86477       27.03559  52.63795       
37.46800  111.5242       39.04918  61.53600 22.69634 90.62925 21.51060 
-29.09325      31.27027 
1 1 1 -20 16 19 o 170.1032 6.313725 303.0069       21.83985  298.3838       
30.29203  308.0114       31.51678  166.1305 9.000167 168.5368 9.231028 
-2.406281      12.89244 
1 1 1 -20 16 20 o 43.55426 15.93505 22.48935       18.41636  38.09953       
23.26058  -3.734505      30.14843  53.32307 18.03832 37.59590 17.26831 
15.72718       24.97149 
1 1 1 -20 17 1  o 34.88453 13.79468 11.42119       14.49390  35.23522       
28.97053  3.470551       16.73944  50.57322 19.64888 31.93857 13.87011 
18.63465       24.05116 
1 1 1 -20 17 2  f 46.78615 14.48531 26.66453       15.19543  8.635830       
29.31353  33.28924       17.76926  41.23820 18.12126 51.50530 15.61216 
-10.26710      23.91902 
1 1 1 -20 17 3  o 67.27435 14.14705 53.77087       18.74003  53.77087       
18.74003  0.000000       0.000000  67.27435 14.14705 ?        ?        
0.000000       14.14705 
1 1 1 -20 17 4  o 69.98227 9.875885 53.62971       13.66385  59.90658       
19.01192  46.92367       19.65114  71.97436 13.48515 62.31210 15.55634 
9.662258       20.58760 
1 1 1 -20 17 5  o 124.6873 8.907048 165.8620       22.43569  0.000000       
0.000000  165.8620       22.43569  ?        ?        124.6873 8.907048 
0.000000       8.907048 
1 1 1 -20 17 6  o 86.19639 8.385714 78.96468       14.51266  61.73399       
20.16652  97.47366       20.90118  73.32580 14.03580 94.40246 11.09963 
-21.07666      17.89428 
1 1 1 -20 17 7  o 67.40761 9.834447 49.24397       13.08371  58.20710       
18.34775  39.97062       18.66258  71.85911 13.03603 58.28917 15.48283 
13.56993       20.23996 
1 1 1 -20 17 8  o 87.21567 7.964431 80.24114       13.96954  68.03499       
18.73153  95.53768       20.96913  78.40462 12.14088 93.65036 11.23508 
-15.24574      16.54170 
1 1 1 -20 17 9  o 145.6161 5.656132 218.7372       16.74868  218.3219       
23.26099  219.1843       24.13564  144.2662 7.959682 144.3856 8.254481 
-0.1193390     11.46704 
1 1 1 -20 17 10 o 79.45585 8.836436 67.15604       14.03573  59.13521       
18.89124  77.03936       20.97019  72.54517 13.29559 83.29993 12.78825 
-10.75476      18.44755 
1 1 1 -20 17 11 o 238.1383 4.837850 582.6387       23.42788  575.5905       
32.64901  590.1200       33.63714  235.4947 6.817693 238.3610 6.939569 
-2.866272      9.728234 
1 1 1 -20 17 12 o 37.51229 13.81375 13.32656       13.87150  25.60192       
19.13758  -0.2615737     20.13492  48.04691 16.36120 34.54519 15.10319 
13.50171       22.26646 
1 1 1 -20 17 13 o 152.4572 6.029502 240.3211       18.69308  267.6134       
25.89091  210.6031       27.01704  159.8964 7.962643 140.7217 9.496722 
19.17474       12.39320 
1 1 1 -20 17 14 o 52.66665 13.55638 31.81736       14.60452  48.16240       
20.22216  13.99791       21.11455  63.97497 15.66862 41.62811 16.59006 
22.34687       22.81963 
1 1 1 -20 17 15 o 46.98370 14.12034 25.30594       14.58128  10.00977       
20.05501  42.45969       21.23787  38.85432 15.91849 59.37458 16.82260 
-20.52027      23.16027 
1 1 1 -20 17 16 o 31.78868 13.50708 3.122579       15.23231  3.680681       
19.99910  2.351518       23.50705  35.65823 15.32155 37.44704 16.34682 
-1.788818      22.40465 
1 1 1 -20 17 17 o 63.46386 13.37973 46.78180       16.72333  46.96150       
22.03201  46.53753       25.68724  61.46819 17.03598 60.24249 18.86347 
1.225704       25.41762 
1 1 1 -20 17 18 f 62.93649 18.99068 52.52937       26.33581  16.55927       
36.58275  91.22504       37.94343  47.18281 20.49737 79.69482 22.45278 
-32.51201      30.40180 
1 1 1 -20 17 19 o 109.5788 8.329179 129.4806       18.42117  109.9406       
25.29960  151.5293       26.87461  96.94964 13.17381 115.6261 11.58557 
-18.67647      17.54351 
1 1 1 -20 17 20 o 28.98931 13.72962 -15.84813      21.56933  -4.997010      
29.96020  -27.52389      31.07777  36.87877 17.03804 32.55687 15.70071 
4.321896       23.16910 
1 1 1 -20 18 1  o 20.56999 9.831217 -12.72281      11.57958  -13.12427      
24.17494  -12.60328      13.19129  31.12872 14.67967 22.38223 10.63993 
8.746487       18.13011 
1 1 1 -20 18 2  o 52.57163 13.98454 34.00294       15.21102  47.49253       
30.19546  29.41563       17.60844  57.25753 20.47833 48.26757 15.67585 
8.989956       25.78942 
1 1 1 -20 18 3  o 23.64544 10.91557 -7.315512      12.26095  0.1323742      
17.31586  -14.80437      17.36343  31.47552 13.87608 26.22271 12.38892 
5.252819       18.60190 
1 1 1 -20 18 4  o 156.6161 5.389785 254.2210       17.16562  259.1922       
24.14149  249.1375       24.41247  156.6963 7.576240 153.2379 7.860645 
3.458420       10.91738 
1 1 1 -20 18 5  o 91.53410 7.732379 88.81815       14.25819  85.55402       
19.72200  92.39233       20.63738  87.85419 11.30122 91.29941 11.36141 
-3.445221      16.02495 
1 1 1 -20 18 6  o 36.14523 13.23272 12.78070       12.70264  -7.091518      
18.35638  31.04114       17.59623  30.09576 13.69032 51.23223 15.53743 
-21.13648      20.70836 
1 1 1 -20 18 7  o 52.25362 12.57507 31.13285       13.20058  28.60952       
18.42274  33.79542       18.92424  49.61975 16.02667 53.39725 16.09500 
-3.777493      22.71350 
1 1 1 -20 18 8  o 132.2505 5.990902 181.0345       16.11169  185.1563       
22.05922  176.3214       23.58829  132.4860 8.228506 128.7810 9.065103 
3.705048       12.24273 
1 1 1 -20 18 9  o 56.00698 11.87373 35.16540       13.10355  31.11452       
18.08770  39.63947       19.00903  51.69293 15.76985 57.99669 15.72309 
-6.303757      22.26890 
1 1 1 -20 18 10 o 42.34343 13.55761 19.80474       13.20547  30.40885       
18.23895  8.121307       19.14466  51.21616 15.87192 37.51418 15.48230 
13.70198       22.17249 
1 1 1 -20 18 11 o 25.63123 11.66448 -6.500942      13.34403  4.330559       
18.64188  -17.88257      19.10942  35.32692 14.97317 27.57735 13.01910 
7.749565       19.84170 
1 1 1 -20 18 12 o 72.03510 9.813632 56.06732       14.00145  47.18599       
19.54891  65.42209       20.06319  63.49537 15.31690 76.09782 13.45744 
-12.60244      20.38897 
1 1 1 -20 18 13 o 136.7520 6.355198 193.9644       17.67316  184.9499       
23.90021  204.8405       26.25229  131.9957 8.957124 138.6720 9.364380 
-6.676361      12.95846 
1 1 1 -20 18 14 o 47.98806 13.95764 26.50852       14.43903  23.57634       
19.80035  29.83870       21.10144  46.44855 16.58602 50.72054 17.18063 
-4.271992      23.88033 
1 1 1 -20 18 15 o 146.2330 6.311838 222.2195       18.76950  256.8211       
26.68684  188.3486       26.40358  155.6721 8.461931 132.2627 9.888427 
23.40936       13.01481 
1 1 1 -20 18 16 o 35.07220 14.06917 9.161703       15.28918  -4.743671      
20.24406  27.62391       23.32642  32.34356 14.57747 49.07803 17.93728 
-16.73447      23.11382 
1 1 1 -20 18 17 o 113.4450 9.130611 138.9007       20.88545  142.9427       
24.66076  128.6470       39.27785  113.8215 10.78304 98.94260 20.20473 
14.87893       22.90207 
1 1 1 -20 18 18 o 31.02427 14.00953 -3.856091      18.80121  -22.08822      
34.44007  3.884172       22.44002  36.16304 17.19127 36.40243 15.92897 
-0.2393913     23.43655 
1 1 1 -20 18 19 o 65.92815 12.78190 51.45677       16.51775  46.80798       
22.69905  56.68904       24.08146  59.13555 17.58292 65.10264 17.71682 
-5.967087      24.96087 
1 1 1 -20 18 20 o 48.63779 17.68142 31.58045       22.62210  13.21483       
32.35791  49.13923       31.63916  42.59268 18.86297 56.65300 20.86229 
-14.06032      28.12555 
1 1 1 -20 19 1  o 32.59156 12.64736 10.48522       11.99160  31.64983       
29.26038  6.212964       13.14630  47.61637 19.33540 30.48427 12.72528 
17.13210       23.14715 
1 1 1 -20 19 2  o 34.40768 13.75316 10.61144       14.55275  -17.07913      
28.47346  20.40245       16.93121  33.05374 15.68930 41.54525 15.26703 
-8.491512      21.89147 
1 1 1 -20 19 3  o 47.23418 12.70596 26.55401       12.47094  28.30816       
17.14162  24.58154       18.17703  47.79052 15.46184 45.13402 15.91551 
2.656498       22.18945 
1 1 1 -20 19 4  o 27.75732 12.08174 0.3591586      12.75859  -1.771885      
17.04422  3.075137       19.24173  30.55601 13.60305 34.23070 14.86812 
-3.674688      20.15202 
1 1 1 -20 19 5  o 104.3383 6.801576 114.4554       14.35236  104.8170       
19.71420  125.3248       20.93540  97.96346 10.03783 107.4359 9.686711 
-9.472458      13.94956 
1 1 1 -20 19 6  o 60.38639 10.56371 40.47170       12.49956  32.46268       
17.25562  49.31387       18.13093  52.12659 15.28627 64.87009 14.14319 
-12.74351      20.82546 
1 1 1 -20 19 7  o 33.83683 13.01634 9.781343       12.61547  19.53414       
17.43827  -0.9273849     18.27291  42.88988 15.53432 32.38691 14.26733 
10.50298       21.09199 
1 1 1 -20 19 8  o 25.68345 11.50779 -3.811878      12.41029  16.07601       
17.92563  -22.11911      17.19854  40.98630 15.57503 24.49273 11.77835 
16.49357       19.52719 
1 1 1 -20 19 9  o 65.43036 10.66621 47.06871       13.70292  63.13572       
18.91407  29.31935       19.87967  74.82088 12.89681 50.24377 16.67273 
24.57710       21.07861 
1 1 1 -20 19 10 o 99.25085 7.437195 103.5224       14.90136  141.9313       
21.27332  66.52217       20.87960  115.3875 9.141008 76.27409 13.97657 
39.11337       16.70037 
1 1 1 -20 19 11 o 138.9443 5.811752 199.6862       16.42099  189.0415       
22.93273  210.8871       23.52412  133.6761 8.480183 141.3795 8.217759 
-7.703400      11.80869 
1 1 1 -20 19 12 o 88.24274 8.213378 82.56895       14.56922  92.45729       
20.90418  73.22890       20.31637  91.72463 11.45704 80.76476 12.79668 
10.95988       17.17610 
1 1 1 -20 19 13 o 38.79547 13.85839 15.45299       13.82459  21.03519       
18.73051  8.773073       20.48955  44.43596 16.09879 38.41927 15.94929 
6.016693       22.66167 
1 1 1 -20 19 14 o 33.91938 13.48557 8.569738       13.92092  11.48838       
18.53235  4.790338       21.08878  38.53371 15.47838 36.87079 15.78491 
1.662922       22.10755 
1 1 1 -20 19 15 o 122.5393 7.292687 158.0227       18.09037  149.8121       
24.74118  167.4554       26.51848  117.2189 10.49029 123.8581 10.63171 
-6.639175      14.93584 
1 1 1 -20 19 16 o 31.63645 13.95234 -0.6009170     17.52313  15.37131       
20.77689  -39.95639      32.61372  41.24944 16.45129 32.38556 15.72875 
8.863880       22.76046 
1 1 1 -20 19 17 o 42.43189 15.44595 20.12337       17.27177  31.89721       
20.51270  -8.558543      32.01607  50.60208 16.94024 38.07372 17.59812 
12.52835       24.42674 
1 1 1 -20 19 18 o 35.39930 15.13180 6.507950       19.32647  23.97055       
34.43195  -1.524222      23.35197  47.90590 20.32951 34.73789 15.65657 
13.16800       25.65964 
1 1 1 -20 19 19 o 31.83314 13.74834 3.801991       16.26621  -5.821484      
21.92505  15.58383       24.25947  32.04203 14.72058 41.13111 17.23732 
-9.089088      22.66761 
1 1 1 -20 19 20 o 26.67231 12.60679 -13.12033      18.01477  -28.65005      
28.06973  -2.243919      23.49088  30.16478 14.63676 33.70766 15.39271 
-3.542887      21.24077 
1 1 1 -20 20 1  o 24.10221 11.07188 -4.984667      12.39923  -2.839847      
28.15013  -5.500955      13.81118  35.17786 16.34383 25.23709 11.62721 
9.940777       20.05774 
1 1 1 -20 20 2  o 33.35497 12.93507 10.91642       12.53697  -17.28651      
28.80312  17.50850       13.92528  32.84697 15.64506 38.65692 13.89816 
-5.809948      20.92669 
1 1 1 -20 20 3  o 50.99911 16.35384 33.74987       19.20886  -3.693968      
30.96455  57.17391       24.49094  37.81291 17.41692 64.92188 17.94974 
-27.10897      25.01084 
1 1 1 -20 20 4  o 75.38670 8.730142 61.87140       13.13577  83.83698       
17.93671  36.46457       19.29065  86.77959 10.36959 53.61183 16.27038 
33.16776       19.29388 
1 1 1 -20 20 5  o 86.52818 7.700980 79.84354       13.40885  87.39613       
18.40011  71.29055       19.58087  88.94572 10.36741 78.75121 12.65573 
10.19451       16.36003 
1 1 1 -20 20 6  o 49.16179 12.46946 28.01387       12.48484  22.33575       
17.08512  34.52020       18.28874  44.29885 15.44295 53.23657 15.77206 
-8.937721      22.07357 
1 1 1 -20 20 7  o 117.8054 6.280014 144.8712       14.99019  149.5390       
20.84848  139.8755       21.56852  118.2855 8.729131 113.9476 9.391820 
4.337807       12.82201 
1 1 1 -20 20 8  o 34.55793 13.26919 10.42493       13.09536  1.556025       
18.05011  20.28066       19.02783  33.22415 14.41562 43.79032 16.16954 
-10.56617      21.66250 
1 1 1 -20 20 9  o 27.48622 11.93678 -0.9094619E-01 12.39855  -4.375994      
17.06452  4.700625       18.04493  29.97217 13.45724 34.73313 14.72705 
-4.760963      19.94952 
1 1 1 -20 20 10 o 96.70802 7.427451 98.51078       14.49518  113.6667       
20.39292  83.03453       20.60731  102.5919 9.897799 86.33282 12.06787 
16.25910       15.60769 
1 1 1 -20 20 11 o 105.4481 7.086257 116.6664       15.10697  96.06873       
20.38992  141.7337       22.49364  93.67101 10.90863 114.7583 9.730490 
-21.08724      14.61782 
1 1 1 -20 20 12 o 54.90052 12.38945 34.38184       13.50339  47.03857       
18.51228  19.99043       19.74017  63.25254 14.67598 43.96660 16.42267 
19.28594       22.02473 
1 1 1 -20 20 13 o 73.03625 10.31282 58.46025       14.89064  37.42487       
20.12099  83.93050       22.14068  55.53461 16.56394 86.03278 13.06627 
-30.49818      21.09719 
1 1 1 -20 20 14 o 37.25034 14.26010 12.80992       15.09608  10.02206       
20.85277  15.87994       21.88259  38.86586 16.10867 42.25201 16.87320 
-3.386143      23.32796 
1 1 1 -20 20 15 o 114.7236 7.589595 139.3501       17.60605  139.2464       
24.50092  139.4608       25.31655  112.4100 10.85326 112.1815 11.24922 
0.2285233      15.63132 
1 1 1 -20 20 16 o 46.66649 15.82474 26.01092       17.90243  24.86738       
20.87090  29.19518       34.82732  46.27524 16.95872 51.01078 20.94720 
-4.735542      26.95150 
1 1 1 -20 20 17 o 72.71438 11.72056 60.56578       16.74170  72.61685       
22.34899  45.15590       25.27228  77.38302 14.74065 57.82666 18.77986 
19.55636       23.87404 
1 1 1 -20 20 18 o 84.01823 10.42722 79.46584       17.43234  79.97903       
24.45871  78.93600       24.85211  79.80460 15.63064 78.86362 16.04262 
0.9409790      22.39827 
1 1 1 -20 20 19 o 37.03201 16.15799 7.688536       22.94285  0.000000       
0.000000  7.688536       22.94285  ?        ?        37.03201 16.15799 
0.000000       16.15799 
1 1 1 -20 21 1  o 24.74155 11.13523 -1.796509      11.76295  2.327436       
28.18077  -2.666633      12.94455  36.07057 16.61482 25.43988 11.54306 
10.63069       20.23103 
1 1 1 -20 21 2  o 32.12008 12.58759 9.914546       11.96869  9.027003       
26.19384  10.14875       13.45547  38.22869 16.94886 33.04312 13.21855 
5.185566       21.49405 
1 1 1 -20 21 3  o 73.05129 13.33050 64.60704       19.07308  41.06072       
28.86543  82.85410       25.41049  53.10644 19.85460 80.05038 16.16657 
-26.94394      25.60397 
1 1 1 -20 21 4  o 38.98677 13.89920 17.17436       13.89957  6.489194       
16.37261  44.74902       26.30161  33.43797 14.09455 56.71521 19.18128 
-23.27724      23.80289 
1 1 1 -20 21 5  o 67.50557 9.738499 50.47528       12.98184  46.08674       
17.70215  55.58161       19.09505  61.62198 14.38784 67.93082 14.27648 
-6.308842      20.26889 
1 1 1 -20 21 6  o 111.3535 8.881514 133.7778       19.94410  133.7778       
19.94410  0.000000       0.000000  111.3535 8.881514 ?        ?        
0.000000       8.881514 
1 1 1 -20 21 7  o 25.43078 11.41896 -3.606017      12.28883  -1.568769      
17.33966  -5.661875      17.41868  31.05673 13.77851 29.51176 13.39044 
1.544973       19.21332 
1 1 1 -20 21 8  o 68.61597 9.644506 51.46246       13.08574  55.59784       
18.89246  47.64893       18.14237  68.93650 13.95562 63.43568 14.39407 
5.500824       20.04865 
1 1 1 -20 21 9  o 87.53339 7.896869 81.43688       13.90524  87.15638       
18.77014  74.47991       20.70134  89.11353 10.56358 80.79189 13.04465 
8.321640       16.78548 
1 1 1 -20 21 10 f 159.1218 5.464189 262.0464       17.68100  285.2847       
25.08825  239.1150       24.92200  164.7617 7.487945 150.1678 8.192159 
14.59389       11.09868 
1 1 1 -20 21 11 o 33.37576 13.28377 8.343430       13.52086  14.13760       
18.60298  1.855173       19.68569  39.85986 15.67070 34.49408 15.01065 
5.365784       21.70001 
1 1 1 -20 21 12 o 105.7308 6.969801 117.4761       14.90152  111.1483       
19.98831  125.3933       22.35813  101.2310 9.833913 107.1921 10.38735 
-5.961105      14.30395 
1 1 1 -20 21 13 o 56.19739 12.96616 36.65590       14.51612  35.90765       
19.53876  37.57770       21.68663  54.18552 16.35909 55.04349 17.34777 
-0.8579674     23.84460 
1 1 1 -20 21 14 o 55.52581 13.26371 36.15294       14.77107  16.01297       
19.97442  60.45826       21.94297  41.21169 16.22661 70.57474 15.69537 
-29.36305      22.57537 
1 1 1 -20 21 15 o 116.9544 8.552032 146.9256       20.19833  158.9817       
23.90848  116.8691       37.75018  120.6659 9.828928 93.33360 20.45448 
27.33234       22.69347 
1 1 1 -20 21 16 o 131.6476 7.902670 185.3115       21.05831  170.4178       
24.85084  223.2448       39.65979  124.5150 9.896122 137.0997 14.44259 
-12.58472      17.50776 
1 1 1 -20 21 17 o 111.2234 7.973378 133.1963       17.91425  133.0134       
24.53732  133.4051       26.21497  108.1896 11.32060 107.4503 12.21455 
0.7392578      16.65386 
1 1 1 -20 21 18 o 74.69939 11.62936 64.92912       17.09062  61.53778       
23.17243  68.97439       25.30811  68.05411 16.83666 71.44508 17.54710 
-3.390976      24.31818 
1 1 1 -20 21 19 o 33.60014 15.39873 -2.687169      23.79178  0.000000       
0.000000  -2.687169      23.79178  ?        ?        33.60014 15.39873 
0.000000       15.39873 
1 1 1 -20 22 1  o 30.96462 12.73957 8.413792       12.91227  0.000000       
0.000000  8.413792       12.91227  ?        ?        30.96462 12.73957 
0.000000       12.73957 
1 1 1 -20 22 2  o 22.43271 10.44456 -6.956646      11.59449  11.26953       
25.64613  -11.63890      12.99874  38.25359 16.87448 22.23174 10.56652 
16.02185       19.90978 
1 1 1 -20 22 3  o 79.40539 8.830029 70.00515       14.01669  85.34229       
32.56760  66.51832       15.52847  74.35953 20.74951 76.29568 10.26954 
-1.936150      23.15179 
1 1 1 -20 22 4  o 118.6327 6.553651 149.2503       15.74896  143.9936       
19.07207  160.5179       27.92263  115.1968 8.194974 117.8151 11.81393 
-2.618225      14.37799 
1 1 1 -20 22 5  o 28.83197 12.50022 1.563178       13.55119  -1.730223      
16.44814  8.522204       23.90940  29.74347 13.29315 38.54655 16.65800 
-8.803078      21.31189 
1 1 1 -20 22 6  o 92.39629 7.342189 90.90115       13.68157  79.36488       
18.69473  104.2057       20.07639  83.82956 11.25049 96.90064 10.34848 
-13.07108      15.28609 
1 1 1 -20 22 7  o 24.83778 11.27040 -4.813113      12.34210  -13.72769      
16.60093  6.203400       18.45457  25.89772 12.19814 35.10818 14.89007 
-9.210457      19.24861 
1 1 1 -20 22 8  f 36.29099 13.27302 13.43116       12.77563  6.314381       
17.83366  20.93379       18.31071  34.89851 14.71008 43.43056 15.88936 
-8.532043      21.65313 
1 1 1 -20 22 9  o 31.80531 12.62130 7.705592       12.17261  10.11197       
15.64544  4.014791       19.37611  35.64607 14.25589 34.94437 15.04875 
0.7016945      20.72909 
1 1 1 -20 22 10 f 112.8202 6.755612 133.7020       15.42766  122.3787       
20.77189  147.6331       23.03999  106.1139 9.734673 116.5571 9.811842 
-10.44324      13.82158 
1 1 1 -20 22 11 o 33.34433 13.13577 8.969059       13.09608  9.343061       
17.53566  8.497384       19.69275  36.39589 14.89516 37.25098 15.56442 
-0.8550835     21.54337 
1 1 1 -20 22 12 f 67.62775 10.47133 50.76696       13.93508  71.22529       
18.72522  25.37360       20.86181  79.38045 11.97228 46.88523 16.98945 
32.49522       20.78406 
1 1 1 -20 22 13 o 82.21478 9.115653 73.35758       14.98362  65.71395       
19.71308  83.81520       23.05797  75.15350 13.38984 84.69809 13.86744 
-9.544594      19.27677 
1 1 1 -20 22 14 o 96.48162 9.334934 101.3484       18.08607  100.7907       
21.22888  102.8250       34.54087  94.86308 11.22217 87.85620 19.80672 
7.006882       22.76496 
1 1 1 -20 22 15 o 86.78506 10.66056 84.22778       18.41819  76.92634       
21.71220  102.9649       34.78175  80.59618 13.74041 86.86240 20.09097 
-6.266228      24.34021 
1 1 1 -20 22 16 o 42.55331 14.51447 21.58983       15.06142  20.07573       
20.41914  23.39665       22.30582  42.55390 16.50635 44.78825 17.28586 
-2.234348      23.90106 
1 1 1 -20 22 17 o 52.06741 14.62128 34.27557       16.11782  21.94092       
21.89455  48.86816       23.81435  43.38667 17.01870 59.32663 18.09402 
-15.93996      24.84008 
1 1 1 -20 22 18 o 35.38275 14.62113 10.66684       17.10537  -5.269846      
25.54862  23.61456       23.02847  33.91589 15.69184 43.83837 17.37136 
-9.922482      23.40936 
1 1 1 -20 22 19 o 62.81144 16.30767 53.86192       21.01338  93.38270       
43.54161  41.86249       23.99231  68.85572 24.59475 53.13095 18.31276 
15.72477       30.66364 
1 1 1 -20 23 1  o 23.71067 10.98316 -5.203691      12.57066  0.000000       
0.000000  -5.203691      12.57066  ?        ?        23.71067 10.98316 
0.000000       10.98316 
1 1 1 -20 23 2  o 39.51710 13.05311 19.84102       12.19008  1.052487       
27.05742  24.62578       13.65433  35.07137 16.19902 43.29328 13.77812 
-8.221909      21.26605 
1 1 1 -20 23 3  o 71.32549 9.437287 57.70332       13.35196  9.898595       
31.14877  68.46430       14.77853  39.81473 18.00076 77.66010 9.559824 
-37.84538      20.38180 
1 1 1 -20 23 4  o 35.95254 12.77229 14.73369       11.72718  14.98020       
16.23197  14.46453       16.96154  37.47980 14.66704 37.42572 14.88375 
0.5408096E-01  20.89612 
1 1 1 -20 23 5  o 62.13900 11.41055 44.90985       13.88723  48.05734       
16.80569  38.13335       24.65905  62.76213 13.56338 52.48042 18.53396 
10.28171       22.96679 
1 1 1 -20 23 6  o 95.25410 7.832794 97.60023       15.03789  86.66178       
18.06469  122.2881       27.13902  88.01917 10.28660 101.6557 13.45934 
-13.63654      16.94013 
1 1 1 -20 23 7  o 38.35792 13.66983 16.23730       13.44339  22.52440       
15.42460  -3.629296      27.41891  43.54429 14.68922 36.55806 16.66933 
6.986229       22.21800 
1 1 1 -20 23 8  o 152.1864 6.442117 242.8447       19.93682  256.2864       
23.81199  211.3302       36.46056  155.4806 7.531267 134.8465 13.47683 
20.63412       15.43843 
1 1 1 -20 23 9  f 101.9732 8.022637 111.2568       16.50188  118.4593       
19.16384  90.59811       32.45561  104.5047 9.108768 82.35706 19.65291 
22.14761       21.66118 
1 1 1 -20 23 10 o 124.3319 7.132529 163.3678       17.95798  160.2382       
20.91694  172.1418       35.02283  122.1916 8.470206 120.8157 14.54775 
1.375893       16.83394 
1 1 1 -20 23 11 f 90.16357 8.112343 87.13757       14.71479  80.94008       
19.54729  95.24230       22.35363  84.63979 11.66702 91.38049 12.34541 
-6.740707      16.98613 
1 1 1 -20 23 12 o 74.95938 9.492115 61.63005       14.14485  68.75546       
18.76729  52.25920       21.52218  77.40868 12.33639 64.51691 16.37613 
12.89178       20.50279 
1 1 1 -20 23 13 o 23.55480 11.13255 -12.89269      14.04360  -6.845276      
16.17785  -31.38388      28.28906  27.73879 12.70714 30.75361 14.86752 
-3.014818      19.55797 
1 1 1 -20 23 14 o 33.13382 13.93832 6.078848       15.95975  -9.612057      
18.39739  53.80034       32.08405  28.59953 13.26159 60.91802 21.16662 
-32.31849      24.97791 
1 1 1 -20 23 15 o 40.18656 14.46755 18.45568       15.09445  37.80719       
20.71366  -3.456832      22.04173  53.65705 16.95879 33.10090 15.03588 
20.55616       22.66447 
1 1 1 -20 23 16 o 76.17696 10.75063 66.17173       16.19070  74.89543       
22.18622  56.23289       23.68103  77.84832 14.54963 64.32749 17.59514 
13.52083       22.83158 
1 1 1 -20 23 17 o 133.2602 6.950422 189.8684       18.76964  161.4825       
25.65113  222.5833       27.53772  118.9431 10.72033 141.1802 9.649684 
-22.23711      14.42366 
1 1 1 -20 23 18 o 41.50086 15.56214 21.47651       17.75941  9.925285       
27.22455  30.03309       23.43132  38.83808 17.24616 46.61858 17.78506 
-7.780502      24.77374 
1 1 1 -20 24 1  o 48.08104 12.59812 30.43798       12.46595  10.67894       
31.27546  34.17002       13.59234  37.30754 17.29648 50.54718 13.11188 
-13.23964      21.70460 
1 1 1 -20 24 2  o 31.33900 12.91347 8.952456       13.29254  0.000000       
0.000000  8.952456       13.29254  ?        ?        31.33900 12.91347 
0.000000       12.91347 
1 1 1 -20 24 3  o 53.43167 12.02438 35.25629       12.74949  25.94841       
30.70452  37.19549       14.01481  43.95496 18.93645 54.19514 12.90238 
-10.24017      22.91420 
1 1 1 -20 24 4  o 65.49858 12.08742 51.72948       15.50655  16.40532       
30.83864  63.68302       17.93938  41.83173 18.47584 72.28676 12.66549 
-30.45503      22.40026 
1 1 1 -20 24 5  o 52.85360 11.72915 33.33799       12.27715  18.11160       
16.57966  51.82310       18.26788  39.56320 14.99212 64.05944 14.37646 
-24.49624      20.77128 
1 1 1 -20 24 6  o 65.23322 13.28002 51.55266       17.01760  51.55266       
17.01760  0.000000       0.000000  65.23322 13.28002 ?        ?        
0.000000       13.28002 
1 1 1 -20 24 7  o 42.09589 14.90802 21.00653       15.96506  21.00653       
15.96506  0.000000       0.000000  42.09589 14.90802 ?        ?        
0.000000       14.90802 
1 1 1 -20 24 8  o 80.69799 11.45687 74.36471       18.27304  74.36471       
18.27304  0.000000       0.000000  80.69799 11.45687 ?        ?        
0.000000       11.45687 
1 1 1 -20 24 9  o 26.73117 12.12188 -4.553773      14.24856  -17.02192      
16.05604  41.65913       30.91142  24.25860 11.58927 54.95828 20.54635 
-30.69968      23.58949 
1 1 1 -20 24 10 o 58.55563 13.11191 40.75421       15.22452  38.61646       
16.91693  49.86332       34.92048  56.00611 14.67646 58.61274 21.85277 
-2.606628      26.32379 
1 1 1 -20 24 11 o 100.1443 9.976521 110.7930       20.04643  110.7930       
20.04643  0.000000       0.000000  100.1443 9.976521 ?        ?        
0.000000       9.976521 
1 1 1 -20 24 12 o 85.81802 9.640810 81.23999       16.53343  106.5862       
19.84720  23.76922       29.88588  98.04939 10.09860 46.92594 19.35273 
51.12345       21.82910 
1 1 1 -20 24 13 o 30.18220 13.09266 2.033445       14.88214  -0.1044307     
17.13772  8.589393       30.01093  30.97346 13.72190 41.25086 18.22240 
-10.27741      22.81110 
1 1 1 -20 24 14 o 50.72384 13.86570 31.68814       14.71143  24.16964       
18.57608  44.33691       24.09423  44.49718 16.04589 56.77156 18.32745 
-12.27438      24.35910 
1 1 1 -20 24 15 o 55.75562 13.34352 38.05966       14.92712  46.74167       
20.38977  28.03229       21.91269  59.48712 16.34971 46.69183 17.32993 
12.79529       23.82518 
1 1 1 -20 24 16 o 53.35439 13.73303 35.68232       14.98790  20.91188       
20.30395  53.36758       22.21721  42.01907 16.41482 62.48550 17.02250 
-20.46643      23.64766 
1 1 1 -20 24 17 o 77.06213 12.29977 71.35396       18.62670  109.6714       
29.08257  44.70346       24.25421  90.90788 16.33217 54.92624 18.42035 
35.98163       24.61806 
1 1 1 -20 24 18 o 36.05124 14.68866 13.24925       16.95787  17.55280       
26.18004  10.13842       22.25848  40.66990 17.50355 36.61425 15.94710 
4.055649       23.67877 
1 1 1 -20 25 2  o 76.26295 17.44665 88.14442       26.47015  0.000000       
0.000000  88.14442       26.47015  ?        ?        76.26295 17.44665 
0.000000       17.44665 
1 1 1 -20 25 3  o 29.45870 12.79491 4.378927       14.24864  -35.05267      
31.14611  14.81564       16.02372  29.47489 14.53103 35.94230 14.40848 
-6.467405      20.46351 
1 1 1 -20 25 4  o 50.30091 14.25447 33.53133       15.24700  57.13559       
32.26907  26.74702       17.29992  56.75197 21.03680 44.31277 15.53454 
12.43920       26.15089 
1 1 1 -20 25 5  o 43.42958 13.80610 24.02703       13.71276  23.89214       
15.71471  24.45760       28.07555  43.02199 14.82121 44.14766 18.52467 
-1.125664      23.72408 
1 1 1 -20 25 6  o 81.33330 9.296722 74.00559       15.09998  82.29150       
17.43541  49.14158       30.20282  84.95885 10.30259 56.01516 20.42006 
28.94369       22.87186 
1 1 1 -20 25 7  o 40.13920 13.65197 19.30719       13.32423  26.98858       
15.56104  -1.799419      25.79455  46.16945 14.71032 35.28856 16.12053 
10.88089       21.82350 
1 1 1 -20 25 8  o 142.1489 6.327066 213.0607       18.28931  219.8432       
22.24166  198.8983       32.13982  143.0243 7.675296 130.7699 12.22798 
12.25443       14.43723 
1 1 1 -20 25 9  o 91.45333 8.633145 91.32239       15.86541  86.92181       
18.96103  101.5968       28.97246  87.48733 10.89370 89.00638 16.61828 
-1.519051      19.87058 
1 1 1 -20 25 10 o 53.38287 15.48892 36.36597       17.80040  36.36597       
17.80040  0.000000       0.000000  53.38287 15.48892 ?        ?        
0.000000       15.48892 
1 1 1 -20 25 11 o 101.7357 9.940064 115.1551       20.30157  115.1551       
20.30157  0.000000       0.000000  101.7357 9.940064 ?        ?        
0.000000       9.940064 
1 1 1 -20 25 12 o 46.92169 15.85315 27.85081       17.96611  27.85081       
17.96611  0.000000       0.000000  46.92169 15.85315 ?        ?        
0.000000       15.85315 
1 1 1 -20 25 13 o 26.99021 12.03612 -1.556932      13.40514  20.49382       
17.32696  -34.43342      21.15697  41.69956 15.42348 24.58926 12.09400 
17.11030       19.59971 
1 1 1 -20 25 14 o 29.23114 12.70388 2.157714       14.06384  8.913241       
18.84986  -6.324632      21.12207  35.57615 15.06638 31.13281 14.35619 
4.443338       20.81096 
1 1 1 -20 25 15 o 62.37589 12.37786 46.84134       15.14638  42.13454       
19.53514  53.93555       23.98312  55.88545 16.22930 61.57349 18.01139 
-5.688046      24.24460 
1 1 1 -20 25 16 o 55.02382 14.11417 38.89411       15.86948  62.84284       
21.92015  12.51674       23.00478  68.47832 16.02525 38.25713 16.43527 
30.22118       22.95488 
1 1 1 -20 25 17 o 65.39273 13.72811 54.39847       17.67394  73.59322       
27.60448  41.06372       23.00810  69.69115 18.96981 52.34795 17.93902 
17.34320       26.10866 
1 1 1 -20 26 2  o 38.54664 12.94078 20.01311       11.97062  36.64132       
30.56722  17.00101       13.00972  44.39026 19.00403 35.97128 13.35269 
8.418976       23.22601 
1 1 1 -20 26 3  o 33.08915 13.03208 12.35081       12.88721  0.000000       
0.000000  12.35081       12.88721  ?        ?        33.08915 13.03208 
0.000000       13.03208 
1 1 1 -20 26 4  o 22.38152 10.77768 -15.26507      14.51684  9.369075       
26.01808  -26.40052      17.49285  36.75776 16.55035 22.38789 11.00852 
14.36987       19.87716 
1 1 1 -20 26 5  o 42.57126 13.51593 23.40607       13.14563  22.08317       
15.24850  27.23477       25.94104  41.18318 14.57125 44.20278 18.10645 
-3.019596      23.24145 
1 1 1 -20 26 6  o 56.59793 12.33401 39.28453       13.79462  35.49319       
15.97661  50.39066       27.34449  51.95313 14.54579 56.44870 19.54491 
-4.495567      24.36357 
1 1 1 -20 26 7  o 67.41436 9.241965 51.14717       12.33625  37.79097       
16.35594  68.77073       18.78801  53.99323 14.56245 75.35101 12.71389 
-21.35778      19.33153 
1 1 1 -20 26 8  o 25.87188 11.54943 -1.471590      12.37749  5.789434       
16.62509  -10.50149      18.53987  32.64555 13.99664 27.82466 13.03741 
4.820885       19.12799 
1 1 1 -20 26 9  o 135.1418 6.466210 193.4470       17.77015  176.8581       
21.23370  232.2235       32.46398  127.4274 8.238393 142.0073 11.33638 
-14.57993      14.01373 
1 1 1 -20 26 10 o 88.05568 8.896181 85.60292       15.71142  88.55775       
18.95221  79.11001       28.09398  87.97662 10.82170 75.36113 18.47477 
12.61549       21.41089 
1 1 1 -20 26 11 o 57.24535 13.95799 40.92235       16.10205  41.48525       
18.32217  39.01269       33.74726  56.42739 15.49440 51.67096 20.84068 
4.756428       25.96942 
1 1 1 -20 26 12 o 74.78108 10.85313 64.36623       16.02225  61.66445       
18.52363  72.39262       31.92727  71.20095 13.28206 68.28304 20.97298 
2.917908       24.82496 
1 1 1 -20 26 13 o 45.82329 14.10237 26.57570       14.42717  31.16692       
18.36999  19.18566       23.30603  48.42807 16.02510 41.73562 17.13670 
6.692451       23.46211 
1 1 1 -20 26 14 o 57.82894 13.00913 41.30337       14.92798  44.37823       
20.05559  37.48351       22.35357  56.94131 16.41762 51.30778 17.67675 
5.633533       24.12480 
1 1 1 -20 26 15 o 119.3250 7.194268 153.8317       17.37536  155.5650       
23.63756  151.7943       25.62788  116.8152 10.04846 113.9205 11.20774 
2.894730       15.05274 
1 1 1 -20 26 16 o 48.42258 15.24480 31.95132       16.75171  36.17197       
25.31021  28.66120       22.34661  48.77697 18.51394 45.13064 17.33254 
3.646328       25.36105 
1 1 1 -20 26 17 o 42.39635 15.46064 24.37025       17.31575  39.41947       
26.33755  12.91285       22.98060  49.50861 18.86337 37.41144 16.24911 
12.09716       24.89699 
1 1 1 -20 27 3  o 39.45138 13.45357 21.33576       12.94010  0.000000       
0.000000  21.33576       12.94010  ?        ?        39.45138 13.45357 
0.000000       13.45357 
1 1 1 -20 27 4  o 71.01826 12.43289 63.97618       17.30116  0.000000       
0.000000  63.97618       17.30116  ?        ?        71.01826 12.43289 
0.000000       12.43289 
1 1 1 -20 27 5  o 22.97230 10.37322 -2.073460      10.30692  -9.875230      
13.54126  8.671628       15.89159  23.06121 10.90919 32.50875 13.80422 
-9.447548      17.59451 
1 1 1 -20 27 6  o 52.08996 11.37591 33.03315       11.71261  46.11029       
15.51064  15.68229       17.86627  60.34208 13.02226 37.29002 15.12047 
23.05206       19.95514 
1 1 1 -20 27 7  o 31.37332 12.24025 9.732864       11.27869  2.316465       
14.66800  20.46084       17.64140  29.18901 12.82272 40.37967 15.42559 
-11.19066      20.05919 
1 1 1 -20 27 8  o 32.94336 12.60232 11.33173       11.78493  8.367623       
15.54757  15.33463       18.06774  32.94125 13.80196 37.76208 15.24266 
-4.820827      20.56290 
1 1 1 -20 27 9  o 106.8608 7.887549 124.6932       17.01889  126.2759       
19.95574  120.4716       32.59166  106.0971 9.344774 93.20494 17.84548 
12.89219       20.14413 
1 1 1 -20 27 10 o 53.65269 13.31518 36.07486       14.45893  32.90782       
16.97453  44.44806       27.60048  49.76805 15.29354 53.76851 19.53279 
-4.000458      24.80770 
1 1 1 -20 27 11 o 30.41399 13.16024 3.815211       14.96104  6.914202       
17.17292  -5.944064      30.47494  33.29012 14.24789 35.81706 16.76088 
-2.526947      21.99840 
1 1 1 -20 27 12 o 71.19684 11.60635 60.09930       16.22481  45.34717       
18.52274  108.7349       33.63216  58.40842 15.38197 85.71681 19.70676 
-27.30840      24.99923 
1 1 1 -20 27 13 o 46.50783 14.79173 28.52396       15.73914  36.19511       
19.16841  12.64940       27.57444  51.03836 16.33348 39.63063 17.48886 
11.40773       23.92995 
1 1 1 -20 27 14 o 41.67471 14.27551 22.34547       14.57018  33.34570       
19.31330  7.815013       22.19705  48.67631 16.43682 35.70061 15.72610 
12.97570       22.74817 
1 1 1 -20 27 15 o 50.44326 14.81094 34.44109       16.19029  31.13968       
23.45771  37.44444       22.37379  46.09639 17.74457 49.89816 17.65081 
-3.801769      25.02840 
1 1 1 -20 27 16 o 35.15365 14.29719 13.15306       16.02955  37.58968       
23.56220  -7.900775      21.87061  49.03709 18.01170 29.94678 14.07269 
19.09031       22.85743 
1 1 1 -20 28 4  o 28.90459 12.25182 6.562463       12.48259  0.000000       
0.000000  6.562463       12.48259  ?        ?        28.90459 12.25182 
0.000000       12.25182 
1 1 1 -20 28 5  o 34.45591 14.48895 12.48700       17.23500  0.000000       
0.000000  12.48700       17.23500  ?        ?        34.45591 14.48895 
0.000000       14.48895 
1 1 1 -20 28 6  o 56.21317 13.85752 42.15936       15.73988  46.62315       
32.23281  40.76165       18.03656  50.06883 20.30684 53.24347 15.63249 
-3.174641      25.62699 
1 1 1 -20 28 7  f 78.95131 10.41883 73.33589       16.31883  12.30613       
29.43812  100.4099       19.60719  38.77209 17.51715 92.22100 10.65115 
-53.44891      20.50116 
1 1 1 -20 28 8  o 113.5758 7.957929 142.3774       18.26354  107.8612       
33.65191  156.7888       21.74454  82.48908 20.21838 117.7371 9.154046 
-35.24804      22.19413 
1 1 1 -20 28 9  o 83.46937 10.60388 81.48213       17.59263  130.0112       
33.17487  62.49550       20.75068  95.76358 17.68715 68.26820 15.32326 
27.49538       23.40166 
1 1 1 -20 28 10 o 64.01308 10.52531 48.04362       13.22477  55.71062       
17.76777  38.52001       19.80255  66.17657 13.65611 51.89308 16.60087 
14.28349       21.49601 
1 1 1 -20 28 11 o 37.12239 13.40561 16.63786       12.97255  1.060878       
17.40680  36.09752       19.45561  30.46856 13.64197 50.36133 16.48352 
-19.89278      21.39649 
1 1 1 -20 28 12 o 62.43317 11.39064 46.81355       13.92868  47.98702       
18.93321  45.42922       20.56394  59.26838 15.52412 56.22474 16.73969 
3.043648       22.83015 
1 1 1 -20 28 13 f 95.77231 9.183739 103.9293       17.66658  105.7845       
20.75272  99.04596       33.67016  94.61374 10.99101 77.66943 20.87110 
16.94431       23.58824 
1 1 1 -20 28 14 o 43.30044 14.83128 25.43979       15.72673  36.52960       
23.01031  15.71837       21.54394  48.69786 17.81275 38.08923 16.11757 
10.60863       24.02228 
1 1 1 -20 28 15 o 81.33887 10.78939 78.82960       17.40581  117.0003       
26.78606  50.93230       22.89943  94.25521 14.43469 57.19104 17.79456 
37.06417       22.91302 
1 1 1 -20 29 5  o 51.57613 14.77756 38.76416       16.29485  0.000000       
0.000000  38.76416       16.29485  ?        ?        51.57613 14.77756 
0.000000       14.77756 
1 1 1 -20 29 6  o 70.62787 13.52360 66.14594       18.71580  0.000000       
0.000000  66.14594       18.71580  ?        ?        70.62787 13.52360 
0.000000       13.52360 
1 1 1 -20 29 7  o 40.51063 14.52261 22.54891       15.19436  18.27965       
31.63067  23.82957       17.32405  39.90266 18.08098 41.11356 15.37937 
-1.210899      23.73703 
1 1 1 -20 29 8  o 31.76893 13.62583 7.575174       15.76632  0.8287157      
31.02329  9.924368       18.30667  35.75841 16.78989 33.99564 14.63391 
1.762768       22.27222 
1 1 1 -20 29 9  o 33.59761 14.10527 10.44278       16.29164  22.78393       
32.60701  6.337045       18.80740  42.12698 18.78011 32.82904 14.46766 
9.297947       23.70666 
1 1 1 -20 29 10 o 57.87324 14.78473 45.64568       17.46306  63.68243       
35.19129  39.75319       20.11434  56.86090 21.77128 51.61055 16.75383 
5.250347       27.47143 
1 1 1 -20 29 11 o 98.54478 7.498715 106.7961       14.91422  99.75453       
20.15202  115.3238       22.17687  91.34729 11.07494 97.90657 11.34925 
-6.559280      15.85748 
1 1 1 -20 29 12 o 93.56769 8.245857 97.92401       15.52926  103.3762       
20.89323  91.19398       23.21283  92.60773 11.33083 83.48051 14.18121 
9.127220       18.15198 
1 1 1 -20 29 13 o 23.39681 11.13980 -11.70374      14.57445  -6.987996      
20.10229  -16.92941      21.16123  28.90944 13.55525 27.05166 13.02300 
1.857779       18.79743 
1 1 1 -20 29 14 o 35.03810 14.74659 12.68076       17.87855  8.490345       
22.13378  20.54767       30.32698  34.74300 15.48174 40.65323 18.11821 
-5.910233      23.83178 
1 1 1 -20 29 15 o 82.97971 9.827244 80.92883       16.26054  84.76173       
22.35335  76.62120       23.69719  79.33375 14.38560 72.45576 16.45799 
6.877983       21.85888 
1 1 1 -20 30 6  o 60.95683 14.63073 53.18530       17.90546  0.000000       
0.000000  53.18530       17.90546  ?        ?        60.95683 14.63073 
0.000000       14.63073 
1 1 1 -20 30 7  o 29.04850 11.89470 7.920922       11.19012  -8.315593      
14.97053  28.47864       16.84528  24.35912 11.50698 43.55497 15.32541 
-19.19584      19.16451 
1 1 1 -20 30 8  o 52.15703 11.96224 34.84552       12.41741  41.35964       
16.77615  26.95203       18.46712  53.76917 14.85180 42.42383 15.87684 
11.34534       21.74051 
1 1 1 -20 30 9  o 22.41009 10.50496 -7.036598      12.05925  7.972046       
16.28192  -25.27460      17.94831  31.84998 13.75529 22.70794 11.16290 
9.142048       17.71492 
1 1 1 -20 30 10 o 40.12471 15.92524 22.52965       19.38259  0.000000       
0.000000  22.52965       19.38259  ?        ?        40.12471 15.92524 
0.000000       15.92524 
1 1 1 -20 30 11 o 34.40126 15.06673 10.08439       20.11610  0.000000       
0.000000  10.08439       20.11610  ?        ?        34.40126 15.06673 
0.000000       15.06673 
1 1 1 -20 30 12 o 20.49810 10.02800 -19.80360      13.95451  -28.82515      
19.60188  -10.53339      19.87018  23.30561 11.49684 27.47287 13.05950 
-4.167255      17.39908 
1 1 1 -20 30 13 o 59.85013 12.65583 46.40003       14.92165  36.96037       
21.57376  55.05754       20.66065  47.73882 17.28026 60.60804 16.37558 
-12.86921      23.80687 
1 1 1 -20 30 14 o 36.79216 15.04891 17.26851       17.88702  5.856542       
22.08750  39.01331       30.48905  33.20444 15.07080 45.80939 19.26747 
-12.60495      24.46149 
1 1 1 -20 31 7  o 53.83900 11.05237 36.77607       11.69516  34.79763       
15.56709  39.33965       17.72020  48.25914 14.60930 49.97644 15.67042 
-1.717300      21.42414 
1 1 1 -20 31 8  o 26.85257 11.57877 4.402215       11.50035  16.46046       
15.19714  -11.75667      17.59241  35.39394 14.08438 25.11791 12.03500 
10.27603       18.52595 
1 1 1 -20 31 9  o 34.62044 12.92874 15.43330       12.23286  16.61559       
16.44009  13.96670       18.31040  35.79739 14.50820 34.76411 14.79107 
1.033279       20.71868 
1 1 1 -20 31 10 o 26.19012 11.64900 1.557384       12.47050  1.474342       
16.72491  1.661356       18.71419  28.90180 13.11652 30.02735 13.72249 
-1.125551      18.98289 
1 1 1 -20 31 11 o 46.93326 16.78328 36.00336       20.28106  0.000000       
0.000000  36.00336       20.28106  ?        ?        46.93326 16.78328 
0.000000       16.78328 
1 1 1 -20 31 12 o 37.05417 15.75716 17.81703       20.76060  0.000000       
0.000000  17.81703       20.76060  ?        ?        37.05417 15.75716 
0.000000       15.75716 
1 1 1 -19 0  1  o 36.66601 21.74396 18.12431       28.13716  18.12431       
28.13716  18.12431       28.13716  36.66601 21.74396 36.66601 21.74396 
-0.000000      0.000000 
1 1 1 -19 0  2  o 16.87122 12.03421 -25.97735      18.37209  -25.97735      
18.37209  -25.97735      18.37209  16.87122 12.03421 16.87122 12.03421 
-0.000000      0.000000 
1 1 1 -19 0  3  o 191.3029 7.063663 376.2401       27.39412  376.2401       
27.39412  376.2401       27.39412  191.3029 7.063663 191.3029 7.063663 
0.000000       0.000000 
1 1 1 -19 0  4  o 31.42869 19.41500 9.154960       24.42545  9.154960       
24.42545  9.154960       24.42545  31.42869 19.41500 31.42869 19.41500 
-0.000000      0.000000 
1 1 1 -19 0  5  o 42.03750 22.09285 27.96347       25.01120  27.96347       
25.01120  27.96347       25.01120  42.03750 22.09285 42.03750 22.09285 
0.000000       0.000000 
1 1 1 -19 0  6  o 36.42546 18.34364 20.67419       16.77086  20.67419       
16.77086  20.67419       16.77086  36.42546 18.34364 36.42546 18.34364 
-0.000000      0.000000 
1 1 1 -19 0  7  o 234.9118 6.424286 565.1714       30.63699  565.1714       
30.63699  565.1714       30.63699  234.9118 6.424286 234.9118 6.424286 
-0.000000      0.000000 
1 1 1 -19 0  8  o 153.6971 7.432033 243.4512       23.10486  243.4512       
23.10486  243.4512       23.10486  153.6971 7.432033 153.6971 7.432033 
-0.000000      0.000000 
1 1 1 -19 0  9  o 188.7963 6.987391 366.0103       26.74286  366.0103       
26.74286  366.0103       26.74286  188.7963 6.987391 188.7963 6.987391 
-0.000000      0.000000 
1 1 1 -19 0  10 o 29.62620 17.28411 11.43311       17.27835  11.43311       
17.27835  11.43311       17.27835  29.62620 17.28411 29.62620 17.28411 
-0.000000      0.000000 
1 1 1 -19 0  11 o 86.74420 12.09724 82.06863       20.15176  82.06863       
20.15176  82.06863       20.15176  86.74420 12.09724 86.74420 12.09724 
-0.000000      0.000000 
1 1 1 -19 0  12 o 109.4668 16.60444 133.6053       34.44332  133.6053       
34.44332  133.6053       34.44332  109.4668 16.60444 109.4668 16.60444 
0.000000       0.000000 
1 1 1 -19 0  13 o 196.3805 10.77512 401.4344       42.73396  401.4344       
42.73396  401.4344       42.73396  196.3805 10.77512 196.3805 10.77512 
-0.000000      0.000000 
1 1 1 -19 0  14 o 32.67491 18.74505 14.95535       19.80025  14.95535       
19.80025  14.95535       19.80025  32.67491 18.74505 32.67491 18.74505 
-0.000000      0.000000 
1 1 1 -19 0  15 o 270.2131 6.933067 748.8521       38.03967  748.8521       
38.03967  748.8521       38.03967  270.2131 6.933067 270.2131 6.933067 
0.000000       0.000000 
1 1 1 -19 0  16 o 76.80534 21.74002 75.90218       29.40820  75.90218       
29.40820  75.90218       29.40820  76.80534 21.74002 76.80534 21.74002 
-0.000000      0.000000 
1 1 1 -19 0  17 o 125.9885 13.92269 172.0822       34.55770  172.0822       
34.55770  172.0822       34.55770  125.9885 13.92269 125.9885 13.92269 
-0.000000      0.000000 
1 1 1 -19 0  18 o 93.67033 14.54904 98.49583       25.72200  98.49583       
25.72200  98.49583       25.72200  93.67033 14.54904 93.67033 14.54904 
-0.000000      0.000000 
1 1 1 -19 0  19 o 100.5564 13.22167 111.6499       25.73938  111.6499       
25.73938  111.6499       25.73938  100.5564 13.22167 100.5564 13.22167 
0.000000       0.000000 
1 1 1 -19 0  20 o 21.23317 14.83656 -19.92477      23.58416  -19.92477      
23.58416  -19.92477      23.58416  21.23317 14.83656 21.23317 14.83656 
0.000000       0.000000 
1 1 1 -19 0  21 o 110.9302 12.52266 136.1734       27.32135  136.1734       
27.32135  136.1734       27.32135  110.9302 12.52266 110.9302 12.52266 
0.000000       0.000000 
1 1 1 -19 0  22 o 94.58939 15.18650 105.7802       26.95343  105.7802       
26.95343  105.7802       26.95343  94.58939 15.18650 94.58939 15.18650 
-0.000000      0.000000 
1 1 1 -19 0  23 o 19.65074 14.02687 -28.75555      25.12765  -28.75555      
25.12765  -28.75555      25.12765  19.65074 14.02687 19.65074 14.02687 
-0.000000      0.000000 
1 1 1 -19 1  1  o 45.96798 14.61829 22.97745       15.37256  35.62922       
28.51742  17.79515       18.25138  56.90140 19.94503 43.23703 15.85675 
13.66437       25.48021 
1 1 1 -19 1  2  o 118.6544 6.513553 145.4410       15.65628  136.9342       
22.14985  153.9346       22.13280  114.0548 9.640346 121.2117 9.044388 
-7.156860      13.21882 
1 1 1 -19 1  3  o 135.5943 6.598684 189.3009       18.19492  167.5157       
31.09531  200.6432       22.43691  125.0743 12.38869 138.9849 7.971924 
-13.91068      14.73198 
1 1 1 -19 1  4  o 57.69493 13.68398 36.92174       15.81172  79.40243       
26.88016  14.44578       19.55218  84.14889 16.29718 42.18219 16.20970 
41.96670       22.98592 
1 1 1 -19 1  5  o 205.2889 5.469220 431.9367       22.83192  452.9105       
28.45504  394.0247       38.25686  209.8081 6.669380 194.4330 9.675826 
15.37514       11.75169 
1 1 1 -19 1  6  o 98.76569 7.758126 101.3189       15.45629  99.86811       
18.93960  104.2117       26.74401  97.48445 9.682059 98.03606 13.79665 
-0.5516129     16.85497 
1 1 1 -19 1  7  o 42.38155 12.88060 19.21904       12.08361  27.28060       
17.09011  11.15993       17.08751  50.06986 15.33874 38.83014 15.08924 
11.23973       21.51656 
1 1 1 -19 1  8  o 162.7873 5.106895 271.1665       16.90553  261.3965       
23.79419  281.1257       24.02352  159.2867 7.345813 165.2457 7.149163 
-5.958954      10.25044 
1 1 1 -19 1  9  o 130.3142 5.847780 174.0891       15.49652  187.6755       
21.72137  160.0061       22.11469  134.6078 7.970843 123.9904 8.828506 
10.61739       11.89441 
1 1 1 -19 1  10 o 19.10886 9.333967 -21.88804      11.95131  -5.510537      
16.57272  -39.63375      17.25109  29.96356 13.37093 21.26360 10.54300 
8.699961       17.02752 
1 1 1 -19 1  11 o 107.7753 7.907602 120.4621       17.20971  114.0134       
20.97557  133.7441       30.10281  104.2163 10.02108 111.5869 13.54364 
-7.370628      16.84791 
1 1 1 -19 1  12 o 101.0509 8.399220 106.2438       17.10319  111.1872       
20.83262  96.02297       29.95538  102.8852 10.08699 93.12804 16.41762 
9.757111       19.26878 
1 1 1 -19 1  13 o 126.6258 9.508044 167.3929       24.30426  203.9043       
35.20800  134.1567       33.59176  138.5055 12.63961 110.9723 15.29177 
27.53324       19.83930 
1 1 1 -19 1  14 o 277.6612 5.608584 789.7635       31.66794  783.1619       
55.56633  792.9391       38.53929  274.3070 9.961468 277.7227 6.824029 
-3.415680      12.07469 
1 1 1 -19 1  15 o 274.0877 4.921362 768.2958       27.43003  734.0428       
37.70416  806.8080       39.97961  267.1427 6.940562 280.0334 7.020649 
-12.89072      9.872230 
1 1 1 -19 1  16 o 220.0713 5.939487 496.7419       26.58054  498.8640       
44.28055  495.5465       33.23426  218.8333 9.950576 219.2605 7.453740 
-0.4272156     12.43271 
1 1 1 -19 1  17 o 57.71791 15.26865 37.20557       18.19773  23.65928       
22.58244  62.29354       30.73217  49.12965 17.69494 73.22688 20.05038 
-24.09723      26.74189 
1 1 1 -19 1  18 o 35.30048 14.41483 6.220302       16.37731  4.229210       
22.97921  8.275675       23.34721  39.32327 16.64311 41.35102 17.08411 
-2.027744      23.85078 
1 1 1 -19 1  19 o 73.10447 12.36202 58.30292       17.72223  37.45708       
24.61461  80.74011       25.53686  57.57417 18.51781 84.94530 15.34835 
-27.37112      24.05163 
1 1 1 -19 1  20 o 96.56886 9.545740 98.84031       18.50013  116.4730       
25.74375  80.00994       26.60370  103.4904 12.48480 83.66089 16.22304 
19.82954       20.47089 
1 1 1 -19 1  21 o 76.66935 11.95244 64.70686       18.02740  74.46576       
25.64154  55.16853       25.35013  79.94252 16.32504 67.70809 18.07357 
12.23443       24.35490 
1 1 1 -19 1  22 o 51.50193 15.58094 31.24255       17.71081  2.755693       
24.42850  62.80813       25.71469  38.29176 16.69124 71.51843 17.76182 
-33.22668      24.37376 
1 1 1 -19 1  23 o 38.06641 15.89414 9.148620       20.51583  -8.258006      
24.29135  52.45660       38.31584  33.97506 15.56651 61.58723 22.90456 
-27.61217      27.69359 
1 1 1 -19 2  1  o 53.83408 14.01833 32.55411       15.49755  27.87315       
26.47045  34.99541       19.11633  52.19825 19.10332 55.50479 16.03586 
-3.306538      24.94165 
1 1 1 -19 2  2  o 62.44753 12.90526 43.03814       15.84642  9.744012       
28.72034  57.60977       19.00028  45.04087 18.80586 72.29733 13.41769 
-27.25646      23.10184 
1 1 1 -19 2  3  o 113.0593 7.389652 132.5658       16.89608  145.4582       
30.44341  126.8268       20.31143  116.1087 13.12408 109.9965 9.163891 
6.112167       16.00682 
1 1 1 -19 2  4  o 31.56041 12.72723 5.384041       12.58352  8.767770       
18.10159  2.219697       17.50496  38.03862 15.29111 34.17448 14.49844 
3.864136       21.07185 
1 1 1 -19 2  5  o 41.59674 14.16931 17.49250       14.35342  17.34716       
17.80980  17.76186       24.24509  43.08715 15.68465 46.56179 18.00723 
-3.474640      23.88030 
1 1 1 -19 2  6  o 94.05799 8.117143 92.13470       15.37359  99.05168       
19.04660  79.20370       26.04204  97.04498 9.785013 84.44697 15.74410 
12.59801       18.53708 
1 1 1 -19 2  7  o 187.3399 5.471150 359.5455       20.84301  336.1657       
25.33982  408.4532       36.64979  180.7483 6.894103 198.3714 9.085338 
-17.62308      11.40491 
1 1 1 -19 2  8  o 28.60907 12.48326 -1.864737      13.69494  -21.67556      
17.14344  33.07341       22.76653  25.10901 11.98991 55.15508 17.81635 
-30.04608      21.47511 
1 1 1 -19 2  9  o 139.6416 6.249385 200.1412       17.74612  195.7141       
21.63113  209.2547       31.03585  137.5296 7.766248 141.0583 10.90434 
-3.528687      13.38728 
1 1 1 -19 2  10 o 76.53550 9.987645 61.92534       15.17394  46.63451       
18.41074  94.31240       26.79424  64.99191 14.31694 93.00142 14.65269 
-28.00951      20.48600 
1 1 1 -19 2  11 o 88.62869 9.100433 82.23701       16.16884  81.25908       
19.81002  84.18856       27.98460  87.38523 11.42122 87.06170 16.40853 
0.3235321      19.99210 
1 1 1 -19 2  12 o 172.9337 6.078587 306.7403       21.37636  310.5142       
26.06199  298.9823       37.36734  173.6367 7.380992 168.7726 10.94685 
4.864120       13.20274 
1 1 1 -19 2  13 o 167.4572 5.441730 287.1286       18.53072  282.0058       
26.02656  292.3954       26.39000  165.3664 7.739594 168.3951 7.706522 
-3.028763      10.92208 
1 1 1 -19 2  14 o 152.2338 6.753624 238.2077       20.90737  250.0021       
38.49534  233.2731       24.89984  153.5440 12.43570 150.0560 8.191001 
3.487991       14.89090 
1 1 1 -19 2  15 o 230.9070 5.078007 545.5007       23.84415  494.5000       
32.69246  603.4635       34.85253  219.1108 7.337235 242.1588 7.077544 
-23.04802      10.19444 
1 1 1 -19 2  16 o 177.9025 6.309610 324.9887       22.82633  329.4485       
38.44291  322.5600       28.36861  177.1914 10.71942 176.7474 7.892845 
0.4440002      13.31176 
1 1 1 -19 2  17 o 58.30189 14.93472 37.92212       17.78525  42.08472       
21.62050  29.20988       31.27871  61.07563 16.85637 55.20977 20.66261 
5.865860       26.66610 
1 1 1 -19 2  18 o 63.55206 13.48460 44.63430       16.88728  46.70505       
23.83971  42.54872       23.92495  63.89593 17.72547 61.12878 18.02047 
2.767151       25.27706 
1 1 1 -19 2  19 o 67.99194 12.89945 50.89449       17.18278  55.35620       
24.06721  46.25580       24.53992  69.31918 17.16408 63.20927 18.14192 
6.109909       24.97468 
1 1 1 -19 2  20 o 97.03836 9.315470 99.62456       18.15638  112.6441       
25.30380  85.80753       26.06722  101.7343 12.49372 87.22474 15.25149 
14.50957       19.71550 
1 1 1 -19 2  21 o 81.26701 11.65007 72.32570       18.70207  73.46822       
26.95862  71.26571       25.96670  78.76891 17.30327 77.79475 16.89764 
0.9741592      24.18540 
1 1 1 -19 2  22 o 58.69052 14.64169 40.44040       17.41717  31.32603       
24.57010  49.64660       24.69357  51.88989 18.48169 63.25059 18.21169 
-11.36069      25.94684 
1 1 1 -19 2  23 o 54.79417 17.45407 37.49402       21.90828  53.49591       
25.92820  -2.446199      40.96302  64.27593 18.70627 44.23420 20.24766 
20.04173       27.56614 
1 1 1 -19 3  1  o 212.8362 6.670409 467.5669       28.87017  0.000000       
0.000000  467.5669       28.87017  ?        ?        212.8362 6.670409 
0.000000       6.670409 
1 1 1 -19 3  2  f 79.24377 12.66849 68.43471       19.72699  0.000000       
0.000000  68.43471       19.72699  ?        ?        79.24377 12.66849 
0.000000       12.66849 
1 1 1 -19 3  3  o 37.85307 14.23194 12.16870       14.87231  9.716818       
24.97622  13.51565       18.51204  42.96155 17.70173 40.95093 15.76352 
2.010616       23.70316 
1 1 1 -19 3  4  o 139.4650 5.632517 199.5229       15.97421  196.2697       
22.61861  202.7603       22.56337  137.4434 8.128795 139.7615 7.972023 
-2.318115      11.38554 
1 1 1 -19 3  5  o 144.3683 5.469217 213.6300       16.05640  197.7552       
22.28722  230.7605       23.15183  138.0616 7.972294 149.2867 7.651999 
-11.22505      11.05036 
1 1 1 -19 3  6  o 138.0139 6.203900 195.6222       17.41162  195.3320       
21.39890  196.1907       29.95141  137.3394 7.692996 136.4155 10.88768 
0.9239960      13.33131 
1 1 1 -19 3  7  o 74.08531 9.707949 58.03756       14.27356  46.81263       
17.62781  79.40947       24.32361  65.20448 13.72845 85.09509 14.58094 
-19.89061      20.02684 
1 1 1 -19 3  8  o 300.4262 5.226720 923.9097       31.93144  905.4664       
38.89954  962.0110       55.91058  296.8939 6.443055 304.5323 9.028368 
-7.638397      11.09164 
1 1 1 -19 3  9  o 65.11133 12.07913 45.91597       15.40462  49.05233       
18.47273  38.75539       27.91209  66.73994 14.05519 59.55844 19.75561 
7.181507       24.24525 
1 1 1 -19 3  10 o 135.7686 6.509780 189.3315       17.97285  158.6764       
21.47303  261.0522       32.84462  123.5465 8.600589 157.9287 10.28316 
-34.38216      13.40572 
1 1 1 -19 3  11 o 173.1522 5.909091 307.3867       20.80655  291.1282       
25.15277  342.6233       37.02909  168.1286 7.356866 181.1158 10.09404 
-12.98721      12.49052 
1 1 1 -19 3  12 o 179.9266 5.140041 331.2387       18.80673  333.1713       
26.42690  329.2556       26.76990  179.9022 7.223678 178.7992 7.362576 
1.102966       10.31451 
1 1 1 -19 3  13 o 109.1557 7.098272 123.1045       15.67052  128.0375       
22.00424  118.0278       22.32211  110.5197 9.895478 105.8744 10.50671 
4.645363       14.43300 
1 1 1 -19 3  14 o 182.6475 6.255332 342.3834       23.23354  343.5455       
40.58863  341.8171       28.33483  180.8522 11.08999 182.0757 7.652746 
-1.223434      13.47413 
1 1 1 -19 3  15 o 113.9573 10.54463 136.6617       24.15870  0.000000       
0.000000  136.6617       24.15870  ?        ?        113.9573 10.54463 
0.000000       10.54463 
1 1 1 -19 3  16 o 141.2258 6.511238 204.9461       18.69947  227.2911       
26.91051  184.0829       26.00292  147.7644 8.998596 132.6673 9.705812 
15.09714       13.23546 
1 1 1 -19 3  17 f 114.0543 7.987110 135.1168       18.40785  130.5094       
24.59542  140.9842       27.75534  111.0263 11.04014 115.0147 12.04572 
-3.988358      16.33965 
1 1 1 -19 3  18 o 89.16393 11.75155 85.29256       20.78852  81.82318       
24.32209  94.69856       40.04776  86.22883 14.37688 88.81797 22.22653 
-2.589142      26.47099 
1 1 1 -19 3  19 o 37.16057 15.50590 5.455573       19.50792  -20.27447      
23.02284  70.95591       36.73333  30.84755 14.47759 76.31393 22.28145 
-45.46637      26.57186 
1 1 1 -19 3  20 o 128.3114 8.858367 173.0455       22.97219  177.9861       
27.17757  160.6828       42.99081  129.3410 10.42133 117.4403 18.62285 
11.90070       21.34045 
1 1 1 -19 3  21 o 86.20552 12.50529 82.11794       21.28214  76.65092       
24.81034  97.34435       41.40533  81.55104 15.52785 86.39510 23.11466 
-4.844055      27.84603 
1 1 1 -19 3  22 o 154.3443 8.217558 251.7764       25.69910  248.8692       
30.37244  259.1037       48.21835  152.1850 9.867428 148.8238 16.19405 
3.361191       18.96347 
1 1 1 -19 3  23 o 67.49542 15.52948 55.19748       20.87173  57.74545       
24.80885  49.02582       38.61092  67.40303 17.82625 59.97168 22.84199 
7.431347       28.97467 
1 1 1 -19 4  1  o 123.1058 6.530356 156.7723       16.28962  150.2946       
22.40444  164.0370       23.72635  119.4870 9.293783 124.8025 9.418186 
-5.315483      13.23165 
1 1 1 -19 4  2  o 62.13501 15.72499 43.84374       19.88616  0.000000       
0.000000  43.84374       19.88616  ?        ?        62.13501 15.72499 
0.000000       15.72499 
1 1 1 -19 4  3  o 88.28434 9.326708 82.10781       16.49068  50.31031       
28.34582  98.37572       20.27489  65.82442 19.66612 96.28677 10.52624 
-30.46235      22.30601 
1 1 1 -19 4  4  o 52.31551 12.45390 30.13606       13.05828  27.28653       
18.77067  32.80848       18.17797  50.20062 16.17344 54.22185 15.62927 
-4.021233      22.49120 
1 1 1 -19 4  5  o 165.3446 5.106442 279.9466       17.16958  287.7527       
24.24961  272.0993       24.31343  167.0731 7.137513 162.3941 7.362487 
4.678955       10.25428 
1 1 1 -19 4  6  o 70.29206 9.223880 52.17574       12.86647  53.07707       
18.02893  51.24022       18.36766  69.65115 13.21229 68.24033 13.71197 
1.410820       19.04160 
1 1 1 -19 4  7  o 193.8868 4.787879 384.4675       18.87742  398.3254       
26.36884  369.8983       27.03711  196.8378 6.587659 189.5447 7.014509 
7.293152       9.622920 
1 1 1 -19 4  8  o 73.27799 9.964966 56.89128       14.46399  63.69309       
18.02110  44.57668       24.24818  76.99567 11.89288 62.79145 18.03718 
14.20422       21.60510 
1 1 1 -19 4  9  o 207.4141 5.382756 440.5307       22.70358  419.5552       
27.45473  485.8998       40.37764  202.0302 6.682662 216.3813 9.176345 
-14.35115      11.35180 
1 1 1 -19 4  10 o 123.2297 6.302567 156.2832       15.74087  183.5621       
21.62204  125.5237       22.96006  133.0974 8.026243 109.2090 10.46685 
23.88834       13.18998 
1 1 1 -19 4  11 o 85.35102 9.100538 76.34464       15.55169  70.43333       
18.92330  88.64445       27.29632  81.11674 11.81923 89.73550 15.52017 
-8.618752      19.50820 
1 1 1 -19 4  12 o 36.24593 14.06093 9.540358       14.81824  -15.16082      
17.79715  65.36568       26.75514  27.70812 12.91391 76.02081 17.64664 
-48.31269      21.86717 
1 1 1 -19 4  13 o 146.4895 6.702154 220.5508       19.96513  203.9648       
24.08074  257.0215       35.70855  140.1789 8.487656 156.2284 11.31654 
-16.04955      14.14582 
1 1 1 -19 4  14 o 129.5142 7.625979 173.5241       19.99603  155.0285       
24.31967  212.1205       35.13159  121.6657 9.915900 141.3765 12.34373 
-19.71077      15.83328 
1 1 1 -19 4  15 o 110.3996 11.67963 129.3351       25.82277  0.000000       
0.000000  129.3351       25.82277  ?        ?        110.3996 11.67963 
0.000000       11.67963 
1 1 1 -19 4  16 o 128.2880 6.837854 169.7795       17.77410  215.0366       
25.92078  129.6142       24.41913  143.7302 8.912415 110.7330 10.98944 
32.99722       14.14917 
1 1 1 -19 4  17 o 205.0268 5.480597 430.8390       22.85020  447.1382       
32.45098  414.8101       32.18084  208.0767 7.669250 200.3190 7.899940 
7.757721       11.01029 
1 1 1 -19 4  18 o 49.87426 16.00198 27.01384       18.38924  36.37879       
22.74467  9.337117       31.24839  56.95120 17.73668 46.44942 19.51968 
10.50178       26.37438 
1 1 1 -19 4  19 o 33.40062 13.99675 3.592755       15.99387  -42.94986      
22.52373  50.92910       22.71497  25.46289 12.51472 66.53947 16.78800 
-41.07658      20.93932 
1 1 1 -19 4  20 o 99.86893 9.149210 105.4073       18.37432  113.0128       
25.40230  97.06123       26.61018  101.8177 12.53331 93.22159 14.50910 
8.596123       19.17284 
1 1 1 -19 4  21 o 107.9560 8.733027 123.3053       19.00758  147.9397       
26.72685  98.09509       27.03741  116.7744 11.40050 92.90034 14.80910 
23.87407       18.68905 
1 1 1 -19 4  22 o 90.02320 10.37029 88.22801       18.63734  80.04282       
26.37681  96.38889       26.33760  81.84813 16.41870 91.32008 14.68003 
-9.471954      22.02446 
1 1 1 -19 4  23 o 33.17492 14.24913 3.345525       17.28573  21.76022       
23.14932  -19.86144      25.98753  45.38396 17.58331 31.98617 15.12554 
13.39779       23.19385 
1 1 1 -19 5  1  o 142.5807 6.805794 210.0458       19.73290  255.7348       
34.84863  188.4823       23.94083  154.9245 11.13579 134.0711 8.830610 
20.85339       14.21216 
1 1 1 -19 5  2  f 56.76975 14.23004 36.16460       16.39592  25.84342       
28.27220  41.39487       20.12595  51.92675 19.60132 60.27726 16.11033 
-8.350513      25.37231 
1 1 1 -19 5  3  o 32.06206 13.59021 1.934419       15.35883  35.72544       
26.06462  -16.03992      19.00978  56.90433 19.09540 28.48352 13.29916 
28.42081       23.27020 
1 1 1 -19 5  4  o 56.45867 11.74977 34.81842       13.05105  48.88731       
18.91603  22.03696       18.02978  66.25534 14.44691 46.26836 15.87911 
19.98698       21.46763 
1 1 1 -19 5  5  o 166.7820 5.113937 284.8608       17.34427  283.5604       
24.30794  286.2095       24.75519  165.8175 7.208856 166.5575 7.308877 
-0.7399750     10.26583 
1 1 1 -19 5  6  o 71.10514 10.43340 53.90739       14.63743  53.06564       
18.43978  55.34133       24.06744  69.52081 13.53021 69.81963 17.08955 
-0.2988129     21.79723 
1 1 1 -19 5  7  o 40.16912 13.82028 16.02675       13.66166  5.189293       
17.26978  34.15075       22.33315  35.55359 14.69144 55.69284 17.61003 
-20.13925      22.93363 
1 1 1 -19 5  8  o 183.8381 5.521323 346.2780       20.64096  343.6924       
24.89573  351.9636       36.91785  182.8216 6.696468 183.5332 9.928611 
-0.7115784     11.97581 
1 1 1 -19 5  9  o 108.4806 6.566477 121.3604       14.41733  124.3841       
19.85946  117.9911       20.96370  109.1559 9.027845 106.0391 9.833776 
3.116859       13.34935 
1 1 1 -19 5  10 o 190.3667 4.975314 370.7056       19.26029  353.7097       
26.36981  390.1404       28.19838  185.4070 6.994064 194.6782 7.122876 
-9.271286      9.982599 
1 1 1 -19 5  11 o 153.9397 5.523331 242.7352       17.29032  232.2858       
24.16984  253.6876       24.74469  149.7945 7.963233 156.8130 7.759768 
-7.018478      11.11877 
1 1 1 -19 5  12 o 194.0514 5.029043 385.2232       19.84512  364.8988       
27.44983  407.4782       28.72396  188.2710 7.169766 198.9766 7.098899 
-10.70561      10.08959 
1 1 1 -19 5  13 o 140.5784 5.899089 202.6375       16.86378  174.4398       
23.31709  233.5632       24.41901  129.4482 8.912119 150.1861 8.024569 
-20.73790      11.99248 
1 1 1 -19 5  14 o 137.5691 7.063120 195.2623       19.69257  197.0920       
32.26130  194.1758       24.86163  136.4969 11.73687 136.5687 9.002637 
-0.7177734E-01 14.79194 
1 1 1 -19 5  15 o 84.44526 13.49747 77.38071       22.39762  0.000000       
0.000000  77.38071       22.39762  ?        ?        84.44526 13.49747 
0.000000       13.49747 
1 1 1 -19 5  16 o 158.8669 6.065538 259.0368       19.59540  239.6930       
27.70428  278.4024       27.71988  151.7138 9.020517 163.8148 8.348906 
-12.10109      12.29121 
1 1 1 -19 5  17 f 46.59398 14.58027 23.38717       15.34918  12.73975       
21.53893  34.37356       21.87910  42.45963 16.80802 55.68649 17.40463 
-13.22686      24.19568 
1 1 1 -19 5  18 o 73.40087 12.98251 58.95172       18.66915  57.40232       
22.99364  61.94901       31.98090  71.16142 16.24688 72.39253 20.68972 
-1.231117      26.30638 
1 1 1 -19 5  19 o 86.41175 9.747216 79.20974       16.82866  76.00314       
23.62703  82.51160       23.97543  82.59148 14.60182 86.35035 14.14352 
-3.758873      20.32861 
1 1 1 -19 5  20 o 31.81952 13.81632 -0.3307003     16.60487  -4.242141      
23.04699  3.891273       23.94438  35.55084 15.82303 39.27293 16.81667 
-3.722088      23.09045 
1 1 1 -19 5  21 o 58.41796 14.65092 39.49613       17.37361  21.38367       
23.45641  61.50891       25.85891  46.69844 17.79957 71.41599 17.85392 
-24.71755      25.21086 
1 1 1 -19 5  22 o 113.3377 9.118384 137.4796       20.83785  129.8044       
28.62460  146.1324       30.39321  107.0859 13.44099 113.7188 13.40020 
-6.632950      18.97961 
1 1 1 -19 5  23 o 52.56836 15.33980 33.60570       17.41492  50.48219       
24.08389  15.11172       25.21162  62.71045 17.96493 42.86753 17.73533 
19.84292       25.24442 
1 1 1 -19 6  1  o 122.1212 7.416122 155.1340       18.32983  130.6613       
31.50461  167.6575       22.53700  108.5482 14.64646 126.3899 8.824011 
-17.84174      17.09918 
1 1 1 -19 6  2  o 116.8914 6.614399 141.3241       15.65811  123.9518       
21.47464  161.0445       22.87995  108.3165 9.857309 123.8750 9.147514 
-15.55853      13.44781 
1 1 1 -19 6  3  o 103.6266 9.269128 112.8370       19.32641  125.2267       
28.92710  102.8478       25.97409  107.3335 13.55538 97.15772 13.51235 
10.17576       19.13980 
1 1 1 -19 6  4  o 40.87664 15.27346 14.69549       17.07682  0.2089270      
24.54380  28.28884       23.77509  38.79815 16.82198 52.06695 18.21349 
-13.26880      24.79335 
1 1 1 -19 6  5  o 221.2394 4.644003 500.6613       20.89327  478.3435       
28.76246  525.5937       30.40065  215.6133 6.559927 225.9889 6.615221 
-10.37564      9.316319 
1 1 1 -19 6  6  o 105.9070 6.440956 115.7279       13.80571  141.4249       
19.78810  91.35734       19.27064  116.5484 8.405638 92.92722 10.37477 
23.62123       13.35255 
1 1 1 -19 6  7  o 251.2995 4.510885 645.5257       23.05180  659.6203       
32.83271  631.8235       32.37249  253.3602 6.372605 247.9446 6.420516 
5.415527       9.046165 
1 1 1 -19 6  8  f 42.79664 12.80359 19.69968       12.00873  16.59377       
16.68627  23.03670       17.29594  42.08179 15.20273 46.90550 15.55093 
-4.823715      21.74752 
1 1 1 -19 6  9  o 320.5848 4.615788 1050.572       30.09125  1049.424       
42.14492  1051.766       42.97821  319.5822 6.485021 319.8749 6.607189 
-0.2927551     9.257994 
1 1 1 -19 6  10 o 170.5592 5.232923 297.7911       18.14976  322.4561       
25.63794  273.0114       25.69743  176.9734 7.123999 162.6493 7.769372 
14.32402       10.54109 
1 1 1 -19 6  11 f 116.8707 6.416655 140.6954       15.19148  147.1852       
21.61608  134.3619       21.35431  118.8108 9.014016 113.3815 9.344975 
5.429321       12.98388 
1 1 1 -19 6  12 o 108.5323 7.005116 121.6954       15.37804  106.1608       
20.86037  140.1868       22.75914  100.3730 10.36952 115.6903 9.765291 
-15.31733      14.24387 
1 1 1 -19 6  13 o 67.22485 12.21065 48.94981       16.07762  15.69296       
25.51447  70.85196       20.70568  46.36705 18.31296 80.91308 13.02614 
-34.54602      22.47320 
1 1 1 -19 6  14 o 184.3020 6.025300 348.4663       22.58188  366.8997       
37.52405  337.9999       28.27510  187.4714 9.877761 181.0104 7.681556 
6.460968       12.51305 
1 1 1 -19 6  15 o 37.95348 14.13602 12.33318       14.60515  10.80487       
20.28669  13.97768       21.04370  40.76418 16.25659 42.94092 16.72886 
-2.176735      23.32663 
1 1 1 -19 6  16 o 280.8930 5.918551 809.5462       33.80709  777.6786       
59.48194  824.7526       41.08883  272.5078 10.73383 282.9373 7.141381 
-10.42950      12.89242 
1 1 1 -19 6  17 o 169.9899 6.769404 297.5238       23.40048  318.1422       
38.63524  285.5776       29.40829  173.7038 10.99433 165.6295 8.762503 
8.074265       14.05905 
1 1 1 -19 6  18 o 65.63384 16.82984 49.24788       22.56935  58.06619       
29.75616  37.30321       34.63147  70.29456 19.91110 59.49845 21.83915 
10.79611       29.55334 
1 1 1 -19 6  19 o 44.88311 16.15905 19.99469       18.83058  10.96201       
30.15191  25.77041       24.11068  46.04112 19.25004 50.28062 18.25767 
-4.239506      26.53124 
1 1 1 -19 6  20 o 141.1847 7.912935 208.2790       22.62681  166.7143       
35.19391  237.5646       29.54144  122.5036 14.40250 149.7885 9.751595 
-27.28488      17.39326 
1 1 1 -19 6  21 o 92.49061 11.38625 93.42142       20.96334  72.44434       
32.70359  108.0527       27.31265  75.61802 20.67454 97.84037 14.13763 
-22.22235      25.04614 
1 1 1 -19 6  22 o 126.0849 11.55969 175.1840       29.30882  205.8955       
39.35429  136.9364       43.91811  133.6886 14.71982 101.8662 21.85588 
31.82240       26.35057 
1 1 1 -19 6  23 f 33.08823 14.59711 0.1056999      19.19468  82.95692       
31.75359  -47.60096      24.09533  79.00532 19.80289 25.19292 12.48567 
53.81239       23.41039 
1 1 1 -19 7  1  o 55.89245 14.31105 35.36247       16.33603  29.00851       
27.95523  38.65739       20.13088  52.98658 19.59230 57.95939 16.36318 
-4.972813      25.52669 
1 1 1 -19 7  2  o 52.99171 13.11406 31.29105       14.05523  22.62144       
19.37493  40.92155       20.42043  46.86012 16.43910 59.81779 16.32960 
-12.95767      23.17110 
1 1 1 -19 7  3  o 40.20746 13.48715 16.63296       13.00268  15.01382       
18.61423  18.17589       18.17091  41.83549 15.87767 43.59928 15.84717 
-1.763786      22.43286 
1 1 1 -19 7  4  o 115.2311 7.207356 137.5677       16.80386  110.3767       
27.19986  154.3514       21.36967  100.7321 13.62835 121.5808 8.700850 
-20.84868      16.16900 
1 1 1 -19 7  5  o 97.38853 8.299644 98.97460       16.28002  87.27428       
26.20907  106.3252       20.77370  88.85854 15.04112 100.2796 10.33518 
-11.42107      18.24969 
1 1 1 -19 7  6  o 23.27342 10.80532 -10.03197      12.26918  -24.62076      
17.35731  4.536407       17.34517  24.51311 11.79931 35.22252 14.65270 
-10.70941      18.81291 
1 1 1 -19 7  7  o 80.71713 7.916361 67.95741       12.82677  64.81555       
17.98563  71.20936       18.29798  77.65397 11.75755 81.61127 11.33134 
-3.957306      16.32909 
1 1 1 -19 7  8  o 115.3839 6.110142 137.0495       14.28558  169.0491       
20.33992  105.8982       20.06854  127.6882 7.871720 100.3128 9.970120 
27.37541       12.70304 
1 1 1 -19 7  9  o 164.2359 5.085620 276.0653       16.98492  250.4899       
23.67622  303.1834       24.37984  155.8536 7.470402 171.6158 6.985897 
-15.76213      10.22789 
1 1 1 -19 7  10 o 209.7965 4.771402 450.0910       20.35615  448.9113       
28.43472  451.3312       29.15468  208.9463 6.692105 209.4548 6.844889 
-0.5084991     9.572710 
1 1 1 -19 7  11 o 138.4212 6.463838 196.8501       18.19468  204.9343       
29.27290  191.7608       23.22612  139.7499 10.37464 135.8771 8.447623 
3.872849       13.37892 
1 1 1 -19 7  12 o 86.71716 9.294995 78.93375       16.13553  86.94365       
26.22193  74.05254       20.46986  88.98016 15.02692 82.91764 12.53080 
6.062523       19.56602 
1 1 1 -19 7  13 o 97.39907 8.661096 98.98815       16.97554  111.9964       
27.78959  91.24469       21.44082  101.7809 13.78093 92.52475 11.65401 
9.256104       18.04799 
1 1 1 -19 7  14 o 205.4980 5.747519 432.9310       24.01814  446.9999       
39.47317  424.6601       30.26560  207.4082 9.358896 203.0033 7.331533 
4.404877       11.88866 
1 1 1 -19 7  15 o 48.06316 14.00133 25.23236       14.51944  1.490757       
20.41527  49.53242       20.65398  36.34806 15.54516 66.55150 15.54281 
-30.20343      21.98252 
1 1 1 -19 7  16 o 126.0362 8.551358 165.3512       21.78735  219.4871       
43.04087  146.7003       25.26318  142.0244 15.13597 117.9223 10.65008 
24.10207       18.50734 
1 1 1 -19 7  17 o 63.87086 12.76491 44.73557       15.99974  45.63066       
22.71627  43.85440       22.53888  63.29617 17.19985 62.08920 17.23894 
1.206966       24.35192 
1 1 1 -19 7  18 o 106.9862 8.121968 119.3866       17.53827  102.3047       
24.47992  137.4006       25.13891  97.22996 12.68316 113.6666 11.01400 
-16.43669      16.79794 
1 1 1 -19 7  19 o 59.93809 14.96505 40.80813       18.18447  59.56346       
22.65870  6.869937       30.48014  72.24461 15.85820 44.61977 19.03629 
27.62484       24.77625 
1 1 1 -19 7  20 o 53.52488 14.84084 32.76762       16.71626  30.25711       
22.73754  35.72063       24.66006  52.07378 17.83329 55.69918 18.57360 
-3.625404      25.74888 
1 1 1 -19 7  21 o 64.64541 14.08300 48.03785       17.98958  61.37642       
24.63036  32.78611       26.33757  71.51204 17.15686 53.43926 19.12409 
18.07278       25.69219 
1 1 1 -19 7  22 f 43.81427 16.71151 19.49698       20.68506  32.91887       
25.08526  -9.017815      36.56343  52.41566 18.67385 41.21127 18.96142 
11.20440       26.61293 
1 1 1 -19 7  23 o 32.29976 14.07362 1.606317       17.35142  -20.35517      
24.68309  23.06107       24.39666  30.80511 14.61783 46.12002 17.99984 
-15.31491      23.18783 
1 1 1 -19 8  1  o 59.96198 11.95375 39.67276       14.06432  49.10120       
19.54055  29.53848       20.25878  65.66377 14.96686 51.44297 16.81948 
14.22080       22.51448 
1 1 1 -19 8  2  o 94.13168 7.515061 92.35783       14.26542  90.79305       
20.62644  93.79257       19.75073  91.95280 11.26652 93.78190 10.53900 
-1.829102      15.42741 
1 1 1 -19 8  3  o 28.59345 12.27246 0.2082387      12.80599  12.36428       
18.10248  -11.96911      18.11835  39.92463 15.52636 28.87600 13.30879 
11.04864       20.44974 
1 1 1 -19 8  4  o 236.6676 4.613362 573.1112       22.20280  559.4731       
31.05088  587.3795       31.76013  233.0909 6.550842 238.8388 6.539221 
-5.747849      9.256076 
1 1 1 -19 8  5  o 232.8380 5.285326 555.6322       25.02517  541.2255       
40.57837  564.4746       31.79056  228.2335 8.743067 234.1307 6.677108 
-5.897263      11.00113 
1 1 1 -19 8  6  o 95.93324 7.982070 95.84918       15.43034  85.64717       
25.80720  101.5257       19.25028  88.08979 14.94056 98.18657 9.771038 
-10.09678      17.85199 
1 1 1 -19 8  7  o 59.97265 12.19220 39.27662       14.36253  5.090873       
23.39215  59.96214       18.19620  40.05859 16.86417 74.36324 12.47470 
-34.30465      20.97662 
1 1 1 -19 8  8  o 173.1678 5.655694 307.4721       19.91611  301.2922       
32.67239  311.1262       25.12337  169.8850 9.495467 173.7723 7.109612 
-3.887329      11.86214 
1 1 1 -19 8  9  o 93.94741 7.402534 91.55436       14.02762  91.77129       
20.51014  91.36369       19.22797  92.94739 11.06894 92.98719 10.34385 
-0.3980255E-01 15.14981 
1 1 1 -19 8  10 o 165.5208 5.162914 280.4652       17.37797  292.1739       
24.67107  268.9351       24.48233  168.4011 7.204297 161.4903 7.455126 
6.910797       10.36729 
1 1 1 -19 8  11 o 122.2780 7.299598 154.6077       18.06811  130.4013       
29.01284  169.9435       23.09287  110.1519 13.21615 127.6968 8.949526 
-17.54482      15.96123 
1 1 1 -19 8  12 o 75.08824 10.63592 60.02401       15.78633  55.94846       
25.71620  62.48852       19.99764  70.07207 17.96323 75.68130 13.48844 
-5.609238      22.46365 
1 1 1 -19 8  13 o 103.2562 8.120103 110.8587       16.91262  110.3585       
27.39005  111.1669       21.50114  101.0320 13.68369 102.6694 10.44379 
-1.637321      17.21383 
1 1 1 -19 8  14 o 208.8840 5.073490 446.5525       21.55080  414.9641       
29.54769  482.4551       31.50085  200.6834 7.240366 216.4212 7.157660 
-15.73775      10.18111 
1 1 1 -19 8  15 o 63.16601 11.72469 43.22413       14.50592  49.19295       
20.24257  36.92350       20.79762  66.35335 15.31308 57.45797 16.76266 
8.895374       22.70412 
1 1 1 -19 8  16 o 247.9897 5.960938 631.3141       30.06073  644.3854       
53.38611  625.2457       36.37546  248.0130 10.58528 246.2264 7.264781 
1.786575       12.83843 
1 1 1 -19 8  17 o 114.4026 7.846419 136.0379       18.14371  128.4876       
25.00433  144.4344       26.36812  109.8688 11.35535 116.5889 11.26189 
-6.720116      15.99294 
1 1 1 -19 8  18 o 104.7424 8.366760 114.7012       17.67224  104.1415       
24.82311  125.5538       25.16503  98.01447 12.75645 108.2924 11.60839 
-10.27789      17.24766 
1 1 1 -19 8  19 o 44.20510 15.81812 19.60993       18.01833  22.97345       
22.45192  13.52394       30.20108  47.96592 17.58766 46.90315 19.40853 
1.062763       26.19192 
1 1 1 -19 8  20 o 148.9206 6.790093 229.8367       20.56279  254.2960       
28.88289  204.6974       29.28157  155.1856 9.193433 138.4044 10.48159 
16.78119       13.94213 
1 1 1 -19 8  21 o 54.02753 15.16947 34.21174       17.35040  28.17610       
23.70785  41.17253       25.46008  50.22643 18.12491 58.11654 18.84793 
-7.890114      26.14874 
1 1 1 -19 8  22 o 76.96199 14.19961 69.01446       21.40436  73.75231       
25.76708  58.46694       38.44582  77.71900 16.79393 64.84477 23.11623 
12.87423       28.57265 
1 1 1 -19 8  23 o 82.00259 11.46145 75.80793       18.59019  85.15264       
26.72907  67.05233       25.87283  83.00966 16.41607 72.26900 17.73713 
10.74065       24.16802 
1 1 1 -19 9  1  o 45.27186 13.32690 22.76482       13.09336  17.47400       
18.81016  27.73799       18.23676  43.04051 16.04013 49.81987 15.93034 
-6.779358      22.60667 
1 1 1 -19 9  2  o 100.0785 8.435230 105.0244       17.00675  68.14655       
29.00443  124.3461       20.99449  75.95383 18.86405 108.4792 9.616854 
-32.52541      21.17395 
1 1 1 -19 9  3  o 103.7455 8.064123 112.3463       16.87920  93.31821       
27.78940  123.4703       21.24777  91.35311 15.51396 108.1547 9.766230 
-16.80164      18.33200 
1 1 1 -19 9  4  o 121.9227 6.780706 153.7043       16.74522  133.3404       
27.83102  165.2594       20.96452  111.3068 12.51264 125.9490 8.230641 
-14.64216      14.97697 
1 1 1 -19 9  5  o 121.7376 6.802118 153.1714       16.77180  116.2359       
27.33248  175.4780       21.24089  103.5814 13.28211 129.9049 8.080771 
-26.32347      15.54713 
1 1 1 -19 9  6  o 98.54141 7.840861 101.0457       15.58212  126.1875       
26.07114  87.07351       19.43546  108.6360 12.00187 90.49509 10.77303 
18.14091       16.12771 
1 1 1 -19 9  7  o 109.1174 7.166661 123.2766       15.81398  115.8687       
24.56642  128.5184       20.66489  104.1860 11.80354 110.7698 9.258935 
-6.583786      15.00172 
1 1 1 -19 9  8  o 93.62082 7.922462 91.23283       14.94134  115.7852       
24.09239  75.88799       19.04646  104.2900 11.55436 84.24801 11.41104 
20.04202       16.23930 
1 1 1 -19 9  9  o 191.3322 5.464056 375.1520       21.25958  384.8448       
35.39853  369.6833       26.58889  192.4836 9.043575 189.4924 6.900126 
2.991135       11.37532 
1 1 1 -19 9  10 o 61.57216 12.24199 41.31766       14.78833  12.32228       
23.70546  59.79126       18.92168  43.61430 17.51058 74.10821 13.03145 
-30.49391      21.82749 
1 1 1 -19 9  11 o 150.3576 6.152149 232.1157       18.81064  246.0574       
30.15436  223.2344       24.06762  153.4160 9.715752 146.7213 8.097915 
6.694702       12.64801 
1 1 1 -19 9  12 o 69.93979 11.27921 52.52557       15.49614  35.07456       
23.30685  66.35207       20.74577  56.44341 18.00502 77.97508 13.57673 
-21.53167      22.55013 
1 1 1 -19 9  13 o 140.7987 5.917510 203.3857       16.94296  220.8605       
24.05155  186.1717       23.87138  145.9278 8.137403 133.7045 8.829419 
12.22334       12.00733 
1 1 1 -19 9  14 o 84.28149 8.821044 74.43399       14.89435  72.26642       
20.08518  77.08229       22.20096  81.85495 12.45963 84.22864 13.41137 
-2.373688      18.30593 
1 1 1 -19 9  15 o 90.07251 8.491232 84.77048       15.36946  67.47010       
20.52914  106.8339       23.18351  78.69475 13.30257 100.1327 11.60035 
-21.43791      17.65012 
1 1 1 -19 9  16 o 111.5600 7.431057 129.0232       16.76172  83.33662       
22.56341  185.2834       25.03866  87.66607 13.05503 133.0982 9.309606 
-45.43211      16.03441 
1 1 1 -19 9  17 o 124.2257 8.698491 161.1600       21.83522  158.5780       
39.38114  162.3061       26.23760  119.1802 16.70841 123.9270 10.51042 
-4.746788      19.73930 
1 1 1 -19 9  18 o 67.70927 12.53851 50.34015       16.62836  45.05952       
23.10220  56.01687       23.95296  62.46360 17.49227 69.71168 17.04016 
-7.248077      24.42020 
1 1 1 -19 9  19 f 111.6861 9.075798 131.4822       20.43443  129.4944       
25.04126  135.4442       35.35315  109.7394 11.38704 109.2319 16.42408 
0.5075607      19.98537 
1 1 1 -19 9  20 o 73.35947 12.61238 59.78048       18.13676  50.52715       
25.33716  69.50420       25.97319  64.75961 18.38369 76.78139 17.07625 
-12.02177      25.09100 
1 1 1 -19 9  21 o 37.43705 14.82099 11.10136       16.74857  22.07532       
23.14969  -0.9520470     24.26153  46.53157 17.69548 36.91583 16.34193 
9.615734       24.08711 
1 1 1 -19 9  22 o 37.62436 15.10991 11.29082       17.65645  44.32064       
24.39313  -25.05928      25.58982  59.01967 18.36611 30.63681 14.63485 
28.38287       23.48389 
1 1 1 -19 9  23 o 41.93095 15.66110 19.15995       17.95111  22.30481       
25.30276  15.97301       25.47148  45.70565 18.17805 42.89599 17.79326 
2.809658       25.43701 
1 1 1 -19 10 1  o 101.3930 7.271827 107.2304       14.89392  143.7695       
21.20714  71.66687       20.92213  116.7364 9.003085 80.35618 13.26670 
36.38023       16.03312 
1 1 1 -19 10 2  o 46.44799 16.17189 22.55297       18.73330  22.55297       
18.73330  0.000000       0.000000  46.44799 16.17189 ?        ?        
0.000000       16.17189 
1 1 1 -19 10 3  o 78.15183 8.663177 64.35017       13.53627  61.09707       
18.72833  67.90836       19.58687  74.64214 12.79924 78.84491 12.64359 
-4.202766      17.99113 
1 1 1 -19 10 4  o 184.2824 4.929953 347.9001       18.47473  361.8427       
26.48534  334.6869       25.78323  187.2454 6.955735 180.0488 7.041992 
7.196548       9.898075 
1 1 1 -19 10 5  o 234.1973 4.629079 561.2360       22.04590  555.0149       
30.47795  568.0632       31.92779  232.2021 6.454583 234.8105 6.686515 
-2.608475      9.293606 
1 1 1 -19 10 6  o 77.95116 8.280898 63.66438       12.92556  79.36604       
18.81438  49.62944       17.78780  86.24850 10.97589 67.06827 13.50939 
19.18023       17.40614 
1 1 1 -19 10 7  o 91.27649 8.296750 87.01317       15.23173  75.36269       
24.22569  94.62979       19.58780  82.46555 14.99867 94.54662 10.35747 
-12.08106      18.22738 
1 1 1 -19 10 8  o 64.63560 10.82027 44.90543       13.71932  36.43833       
21.87772  50.39300       17.61266  57.05976 17.32938 67.75235 13.25823 
-10.69259      21.81944 
1 1 1 -19 10 9  o 102.2601 7.683933 108.5945       15.86188  135.6799       
25.09332  90.56986       20.47027  113.1876 11.04269 92.25138 11.13723 
20.93623       15.68372 
1 1 1 -19 10 10 o 78.01688 9.613099 64.28462       14.92857  77.97165       
25.12486  56.81561       18.56012  83.91234 15.28726 72.13123 13.13738 
11.78111       20.15666 
1 1 1 -19 10 11 o 104.5349 7.974169 113.5938       16.82323  89.78860       
26.46606  129.7339       21.79245  90.36703 14.92310 111.1811 9.736949 
-20.81407      17.81873 
1 1 1 -19 10 12 o 60.10586 11.35664 39.10675       13.37223  42.81705       
18.93372  35.41405       18.88874  61.88554 15.16390 56.31806 15.83299 
5.567482       21.92321 
1 1 1 -19 10 13 o 155.9683 5.430716 249.2591       17.22443  226.9077       
23.75102  274.0553       25.01625  147.9695 7.922036 162.9584 7.549079 
-14.98889      10.94291 
1 1 1 -19 10 14 o 111.9304 7.026484 129.5435       15.91214  154.7457       
21.91186  101.4246       23.14508  121.7828 8.909785 97.40680 11.93436 
24.37595       14.89340 
1 1 1 -19 10 15 o 127.1975 6.555228 166.8596       16.89812  174.3424       
23.52713  158.8863       24.28603  129.2282 9.009188 123.0497 9.786511 
6.178497       13.30193 
1 1 1 -19 10 16 o 169.8159 5.704903 295.9366       19.70053  287.1580       
27.27054  305.5186       28.49104  166.5182 8.053425 171.7180 8.159080 
-5.199753      11.46422 
1 1 1 -19 10 17 o 75.45409 13.16240 62.43859       19.46166  40.55818       
34.24759  72.87420       23.65164  60.88889 21.80575 80.88868 14.92876 
-19.99979      26.42647 
1 1 1 -19 10 18 o 96.37731 9.148855 97.91492       17.71559  93.56747       
24.37949  102.7788       25.78697  92.39555 13.36364 96.86111 13.45521 
-4.465561      18.96391 
1 1 1 -19 10 19 o 75.31073 12.96394 62.78608       19.13766  60.30069       
23.62701  67.52745       32.63349  72.11740 16.47202 74.15681 20.79797 
-2.039413      26.53079 
1 1 1 -19 10 20 o 161.2493 6.641346 269.6316       21.77736  268.4040       
30.49115  270.9099       31.11398  159.0407 9.470762 159.6734 9.627361 
-0.6326904     13.50487 
1 1 1 -19 10 21 o 43.48228 16.41796 18.98074       19.83805  30.68287       
23.24983  -12.34673      38.04084  51.30513 18.00756 41.55135 19.19746 
9.753788       26.32137 
1 1 1 -19 10 22 o 34.18341 14.49719 5.072812       17.49225  9.104680       
24.65526  0.9865065      24.82114  40.22892 17.14095 37.27650 16.51409 
2.952415       23.80184 
1 1 1 -19 10 23 o 31.90866 14.41026 -3.655594      19.89764  -45.75986      
33.18116  19.98699       24.86428  31.33740 15.35882 44.32672 17.88517 
-12.98932      23.57483 
1 1 1 -19 11 1  f 83.95930 7.975007 74.15383       13.45259  68.94093       
18.28226  80.30895       19.86592  79.45154 11.66271 85.84370 11.68369 
-6.392159      16.50841 
1 1 1 -19 11 2  o 73.34227 9.393664 57.29002       13.68814  54.25110       
19.00505  60.56562       19.73127  69.57027 13.91965 73.71838 13.66539 
-4.148109      19.50640 
1 1 1 -19 11 3  o 115.5116 6.432737 137.9787       15.05035  155.1371       
21.77459  122.2829       20.82591  121.6141 8.865767 107.6018 9.619145 
14.01229       13.08166 
1 1 1 -19 11 4  o 33.84387 12.89775 9.140470       12.31472  6.286503       
16.84828  12.41407       18.04448  35.57674 14.58476 39.89278 15.50495 
-4.316044      21.28658 
1 1 1 -19 11 5  o 68.30639 9.648174 49.65391       13.02858  38.25998       
18.80279  60.17641       18.06946  58.19027 15.57989 74.35507 12.38616 
-16.16480      19.90352 
1 1 1 -19 11 6  o 49.01118 12.17724 26.44909       12.08275  33.03889       
17.60103  20.57581       16.61660  54.32133 15.28803 44.68473 15.24540 
9.636593       21.59042 
1 1 1 -19 11 7  o 30.29963 12.40980 4.054466       12.18374  -5.972358      
17.03019  14.56710       17.43787  30.09019 13.48158 41.00136 15.41164 
-10.91117      20.47613 
1 1 1 -19 11 8  o 65.95802 10.00153 46.40607       12.99407  55.67976       
17.93477  36.15922       18.85232  71.42496 12.81899 56.75982 15.76866 
14.66514       20.32184 
1 1 1 -19 11 9  o 149.3733 5.800928 228.9709       17.62064  231.6357       
28.41373  227.3056       22.46136  148.8415 9.436375 148.1996 7.477230 
0.6418457      12.03969 
1 1 1 -19 11 10 o 57.01439 11.12004 35.23241       12.42961  45.12100       
17.75046  25.71874       17.41070  63.79316 14.06178 48.82963 15.56027 
14.96353       20.97273 
1 1 1 -19 11 11 o 173.2263 5.149336 307.2883       18.13913  314.9899       
25.16753  298.9630       26.16687  174.8318 7.078946 170.1658 7.561848 
4.665985       10.35823 
1 1 1 -19 11 12 o 58.12729 11.63638 36.74975       13.27476  33.44140       
17.71425  40.98738       20.04837  54.78646 15.30838 60.35228 16.05525 
-5.565823      22.18372 
1 1 1 -19 11 13 o 103.0406 7.045126 109.8849       14.67358  93.65572       
19.98437  128.8696       21.61451  94.00810 10.64119 110.7977 9.690662 
-16.78959      14.39249 
1 1 1 -19 11 14 o 126.6007 6.383825 165.1812       16.38204  183.9345       
22.44847  143.8160       23.96082  132.9952 8.342651 116.8824 10.18266 
16.11278       13.16383 
1 1 1 -19 11 15 o 93.23478 8.307140 90.76613       15.58502  104.6248       
21.70772  76.02367       22.38916  99.24600 10.93760 83.38702 13.67784 
15.85898       17.51327 
1 1 1 -19 11 16 o 32.17227 13.37594 3.666435       14.44201  13.31315       
19.87105  -7.134274      21.02602  41.63129 16.24567 33.27264 14.93857 
8.358650       22.06995 
1 1 1 -19 11 17 o 129.0404 8.540303 173.9359       22.28372  158.4443       
39.11733  181.3784       27.11318  118.8660 16.63906 131.0247 10.25787 
-12.15870      19.54693 
1 1 1 -19 11 18 f 105.7940 8.265376 117.1982       17.64056  113.8570       
24.37680  120.8719       25.56030  102.7065 11.89147 105.7506 12.10388 
-3.044106      16.96794 
1 1 1 -19 11 19 o 132.8247 7.383835 183.8384       19.86527  189.5371       
27.18820  177.3117       29.09624  133.4948 10.08982 128.4101 11.25620 
5.084732       15.11643 
1 1 1 -19 11 20 o 104.0776 9.109780 115.2048       19.08627  136.7119       
26.17816  90.79832       27.88692  111.9289 11.67300 88.30634 16.12363 
23.62255       19.90554 
1 1 1 -19 11 21 o 31.28727 14.15097 -5.841650      19.27202  0.1182346      
22.51602  -22.17064      37.26940  35.90640 15.82658 38.84152 18.28938 
-2.935123      24.18640 
1 1 1 -19 11 22 o 81.14339 11.55282 74.02346       18.52475  72.05312       
25.56407  76.20212       26.88146  76.05293 16.96141 77.89164 17.40897 
-1.838707      24.30559 
1 1 1 -19 12 1  o 84.10880 9.589968 75.60673       16.10924  85.88474       
30.04082  71.45827       19.08536  85.05372 17.93351 80.66373 12.00068 
4.389984       21.57840 
1 1 1 -19 12 2  o 32.99724 12.92537 7.885018       12.61519  3.410800       
17.83795  12.36188       17.84321  34.63935 14.66229 39.43968 15.39333 
-4.800331      21.25881 
1 1 1 -19 12 3  o 48.48449 13.07885 26.20281       13.19178  34.45464       
18.42522  17.52423       18.89565  55.03617 15.69551 43.28696 16.08747 
11.74921       22.47567 
1 1 1 -19 12 4  o 144.1844 5.515169 213.4920       16.17069  201.9945       
22.37987  226.0521       23.39128  139.3014 7.933259 147.4307 7.830231 
-8.129318      11.14671 
1 1 1 -19 12 5  o 152.4965 5.227119 238.4739       16.20965  245.4486       
22.22888  230.5533       23.68849  154.1620 7.090693 148.9579 7.847974 
5.204163       10.57680 
1 1 1 -19 12 6  o 49.18961 12.12167 26.66175       12.04688  19.83504       
17.13565  33.33329       16.93978  44.31025 15.46470 54.53159 14.86731 
-10.22134      21.45213 
1 1 1 -19 12 7  o 152.3939 5.145034 237.9681       15.94436  243.6539       
21.86003  231.5047       23.30693  153.7020 6.993905 149.4109 7.697140 
4.291061       10.40003 
1 1 1 -19 12 8  o 116.3515 6.144572 139.5137       14.48679  140.6926       
19.96296  138.2023       21.05551  116.1372 8.512125 114.8985 9.085676 
1.238724       12.45013 
1 1 1 -19 12 9  o 108.7874 6.468757 122.1673       14.24587  151.9503       
20.06431  91.88992       20.23013  120.8380 8.214013 92.94572 10.91085 
27.89226       13.65711 
1 1 1 -19 12 10 o 25.08159 11.27161 -5.033344      12.00084  10.49008       
16.14591  -24.19574      17.93882  37.66155 14.65856 25.20408 12.09653 
12.45747       19.00525 
1 1 1 -19 12 11 o 60.25099 11.41846 39.37382       13.47811  45.55114       
18.27264  32.00229       19.96090  63.97937 14.39304 53.78908 16.59355 
10.19029       21.96601 
1 1 1 -19 12 12 o 136.7505 5.882717 191.9549       16.35906  198.5008       
22.64803  184.8138       23.65525  138.2590 8.090635 133.1410 8.786435 
5.117981       11.94403 
1 1 1 -19 12 13 o 106.4917 7.043812 117.3769       15.16754  127.7422       
20.91602  105.8808       22.02739  110.3727 9.408766 99.83396 11.03456 
10.53870       14.50125 
1 1 1 -19 12 14 o 188.9541 5.097563 365.6772       19.58711  351.2354       
26.92052  381.9225       28.55213  184.5297 7.174072 192.3740 7.298620 
-7.844238      10.23412 
1 1 1 -19 12 15 o 55.65639 13.00718 34.26354       14.45677  57.66655       
20.39567  10.63293       20.49461  72.06313 14.42127 40.60080 16.28832 
31.46233       21.75506 
1 1 1 -19 12 16 o 120.3255 7.001698 149.9031       17.05811  145.7170       
23.47593  154.5854       24.82846  117.5770 9.910995 121.0066 10.18466 
-3.429565      14.21109 
1 1 1 -19 12 17 o 147.9713 6.510223 225.7571       19.58956  218.1711       
27.76213  233.2796       27.64588  144.0410 9.531846 149.1508 9.159245 
-5.109802      13.21922 
1 1 1 -19 12 18 o 167.9606 6.247066 290.9715       21.33708  318.5957       
30.63176  264.9350       29.73844  174.6319 8.625754 158.6850 9.255925 
15.94687       12.65211 
1 1 1 -19 12 19 o 115.2736 8.016204 139.3716       18.67411  146.8328       
26.37614  131.8729       26.44235  116.6455 11.25960 110.0624 12.00925 
6.583138       16.46210 
1 1 1 -19 12 20 o 48.97515 15.90388 27.50698       18.12463  18.14592       
22.48643  44.86713       30.62209  44.37304 17.29113 60.23382 20.69291 
-15.86078      26.96627 
1 1 1 -19 12 21 o 54.79735 16.78257 36.64912       20.46044  58.88007       
25.00911  -8.347843      35.58041  68.64940 17.77479 40.85143 18.76212 
27.79797       25.84493 
1 1 1 -19 12 22 o 37.84831 14.98665 12.74988       17.12809  13.12867       
23.79663  12.34268       24.67267  41.17973 17.14949 41.23023 17.33651 
-0.5049896E-01 24.38564 
1 1 1 -19 13 1  o 66.00053 11.23180 47.87081       14.53471  35.62737       
28.06681  52.35749       16.99042  55.61823 19.75910 68.44470 12.67387 
-12.82647      23.47443 
1 1 1 -19 13 2  o 43.21900 13.08959 20.60805       12.49473  17.26578       
16.87281  24.66636       18.59255  41.95156 15.26722 47.60241 16.12694 
-5.650845      22.20735 
1 1 1 -19 13 3  o 146.0194 5.342172 219.0490       15.86280  217.9623       
22.27546  220.1670       22.59473  144.7109 7.596169 145.4107 7.668276 
-0.6997375     10.79371 
1 1 1 -19 13 4  o 73.83691 9.048093 57.74710       13.30141  47.54138       
17.86791  70.43321       19.92122  65.18940 13.90289 80.27216 12.62044 
-15.08276      18.77673 
1 1 1 -19 13 5  o 123.8336 5.963962 157.7107       15.01844  135.3600       
20.58892  183.1267       21.95543  113.5812 8.987470 132.5400 8.186055 
-18.95880      12.15673 
1 1 1 -19 13 6  o 33.07982 12.57566 8.731050       11.68933  -10.20272      
16.44183  28.08218       16.62205  27.82875 12.77116 50.31829 15.06567 
-22.48953      19.75036 
1 1 1 -19 13 7  o 87.30734 7.181554 79.21410       12.63726  64.32610       
17.24788  96.46960       18.56869  77.34852 11.29889 95.61535 9.683517 
-18.26683      14.88071 
1 1 1 -19 13 8  o 56.03162 10.92672 34.07360       12.00293  38.88153       
16.39619  28.52172       17.61912  59.08445 13.88191 50.84591 15.57397 
8.238544       20.86279 
1 1 1 -19 13 9  o 235.9469 4.565956 569.4622       21.90773  579.2322       
30.31705  558.7851       31.69317  237.3271 6.281858 232.9236 6.691149 
4.403534       9.177866 
1 1 1 -19 13 10 o 193.4943 4.750078 383.1346       18.69048  374.6158       
25.73466  392.6443       27.18999  190.7505 6.634393 195.2066 6.849568 
-4.456039      9.535814 
1 1 1 -19 13 11 o 56.02151 11.58680 34.23512       12.76423  38.22588       
16.94711  29.00336       19.40400  58.52599 14.34975 51.53166 16.42745 
6.994324       21.81230 
1 1 1 -19 13 12 o 159.7818 5.207197 261.5769       16.91932  254.6658       
23.06081  269.6342       24.89995  157.1061 7.218219 161.5366 7.580122 
-4.430450      10.46714 
1 1 1 -19 13 13 o 64.82436 10.93974 45.26470       13.90771  48.19753       
19.38472  42.15364       19.96506  65.63728 14.86784 61.09511 15.91206 
4.542164       21.77720 
1 1 1 -19 13 14 o 107.9597 6.995905 120.6755       15.27614  121.4531       
20.83654  119.7718       22.46240  107.4538 9.638158 106.3650 10.52303 
1.088852       14.26983 
1 1 1 -19 13 15 o 91.99303 8.194558 88.43725       15.16912  77.88863       
20.86130  100.2722       22.09671  84.78430 12.47242 96.82162 11.44419 
-12.03732      16.92722 
1 1 1 -19 13 16 o 65.24776 12.05623 46.53814       15.40737  58.55162       
21.50201  33.86040       22.08846  72.14046 15.13976 54.98137 17.52697 
17.15910       23.16046 
1 1 1 -19 13 17 o 36.31910 14.23282 9.712441       15.30156  26.59246       
21.39754  -7.953881      21.89023  49.91569 17.28905 33.51041 15.12585 
16.40528       22.97178 
1 1 1 -19 13 18 o 62.49649 15.60503 45.00655       19.77195  32.80032       
35.65878  50.42522       23.75866  56.58268 21.85071 65.44291 17.50952 
-8.860233      28.00066 
1 1 1 -19 13 19 o 204.4614 5.783811 431.3558       24.04788  435.6563       
33.41640  426.7363       34.63396  204.0844 8.051901 201.7036 8.443785 
2.380783       11.66750 
1 1 1 -19 13 20 o 32.46337 14.48432 -3.455258      19.44000  2.219560       
24.35929  -13.40872      32.26085  38.12522 16.64175 38.28756 17.68582 
-0.1623421     24.28448 
1 1 1 -19 13 21 o 62.54663 14.23363 46.20446       17.69668  5.956412       
24.10830  93.22984       26.05915  38.83165 16.75425 89.01004 14.92529 
-50.17839      22.43812 
1 1 1 -19 13 22 o 100.2627 9.474418 109.7478       19.08823  107.6993       
26.35900  112.0065       27.67900  95.69156 13.95653 97.15509 14.44980 
-1.463531      20.08934 
1 1 1 -19 14 1  o 48.50415 13.46548 26.81799       13.75251  50.21186       
25.63177  17.36098       16.29688  64.08816 18.58393 41.43261 15.01568 
22.65555       23.89211 
1 1 1 -19 14 2  o 68.94627 9.684923 51.08014       13.20423  40.95144       
18.44961  61.71611       18.90597  59.55021 15.18766 74.47295 12.95427 
-14.92274      19.96192 
1 1 1 -19 14 3  o 166.8271 5.060407 285.7385       17.16735  286.2325       
23.89720  285.2116       24.67824  166.2088 7.070362 165.8012 7.319395 
0.4076385      10.17662 
1 1 1 -19 14 4  o 76.47684 8.492810 61.66978       12.98481  76.14911       
19.47374  50.07887       17.42344  83.82851 11.74619 67.13463 13.23297 
16.69389       17.69419 
1 1 1 -19 14 5  o 103.8612 6.651158 111.7380       13.97380  106.3038       
19.11511  117.9756       20.47920  100.3458 9.479856 105.6908 9.634347 
-5.344933      13.51622 
1 1 1 -19 14 6  o 67.18817 9.259213 47.96472       12.31474  38.13640       
16.66477  59.78821       18.27816  58.29656 14.19091 73.93922 12.60871 
-15.64265      18.98319 
1 1 1 -19 14 7  o 179.1562 4.761810 328.6532       17.34823  351.3485       
24.13293  304.3835       24.95598  184.7088 6.424972 171.6621 7.149058 
13.04669       9.611936 
1 1 1 -19 14 8  o 132.8807 5.431660 181.1427       14.67730  172.9130       
20.79504  189.3123       20.71883  128.9371 7.970128 135.0784 7.573253 
-6.141373      10.99441 
1 1 1 -19 14 9  o 221.3004 4.642519 501.1521       20.89235  470.3114       
28.46143  537.1880       30.76537  213.7080 6.549143 228.3638 6.624962 
-14.65579      9.315654 
1 1 1 -19 14 10 o 189.6177 4.834362 368.0946       18.64101  351.6967       
25.35655  387.3795       27.49824  184.7474 6.749325 193.8050 6.977317 
-9.057587      9.707541 
1 1 1 -19 14 11 o 125.4197 6.068902 161.6615       15.47845  151.8510       
21.44751  172.3253       22.36071  120.5468 8.810249 128.5319 8.604754 
-7.985107      12.31512 
1 1 1 -19 14 12 o 74.78296 9.288490 59.11456       13.82114  46.78664       
18.16455  76.06536       21.29977  64.83086 14.17344 83.63501 12.94173 
-18.80415      19.19310 
1 1 1 -19 14 13 o 109.6911 6.788054 124.4583       15.06707  119.2582       
20.24603  130.9131       22.55690  106.5212 9.444512 111.4010 10.06597 
-4.879845      13.80299 
1 1 1 -19 14 14 o 94.17812 7.864495 92.46799       14.92383  103.7333       
20.79180  80.49622       21.43382  98.87200 10.50189 86.15863 12.60642 
12.71337       16.40766 
1 1 1 -19 14 15 o 107.8142 7.294451 120.6863       15.89853  128.2003       
22.23725  112.8293       22.73899  110.1428 10.03851 102.8651 11.04339 
7.277718       14.92408 
1 1 1 -19 14 16 o 38.44151 14.25915 13.27769       14.83065  36.19599       
20.38031  -12.51868      21.62215  56.38129 16.63521 31.83967 14.62426 
24.54162       22.14948 
1 1 1 -19 14 17 o 57.15265 13.69762 36.77116       15.71197  34.22260       
21.12688  39.92513       23.50267  54.79073 17.09925 58.67248 17.98998 
-3.881752      24.81982 
1 1 1 -19 14 18 o 94.44061 11.55074 96.78207       21.72063  89.73275       
38.87124  99.98243       26.19111  84.16022 22.34024 94.65913 14.03116 
-10.49892      26.38105 
1 1 1 -19 14 19 o 34.21952 14.29487 5.122256       16.60636  23.64637       
24.07675  -11.68624      22.93472  48.07849 18.10195 32.67428 15.02755 
15.40421       23.52674 
1 1 1 -19 14 20 o 39.34379 16.54620 8.472948       22.48086  8.472948       
22.48086  0.000000       0.000000  39.34379 16.54620 ?        ?        
0.000000       16.54620 
1 1 1 -19 14 21 o 37.21523 14.89209 11.37113       17.08393  7.214282       
23.92061  15.69888       24.40739  39.02887 16.76280 42.87595 17.56302 
-3.847084      24.27861 
1 1 1 -19 14 22 o 40.46211 16.04708 15.97149       19.66662  24.33732       
31.90610  10.84540       24.97537  47.89634 19.89473 40.33998 17.22161 
7.556362       26.31319 
1 1 1 -19 15 1  o 91.36172 8.315454 88.44553       15.27996  67.13158       
28.94976  96.67614       17.98990  73.41547 19.18019 95.01176 9.435890 
-21.59630      21.37558 
1 1 1 -19 15 2  o 143.3891 5.548211 211.8943       16.17784  232.5618       
22.98485  191.6033       22.77446  149.1656 7.602639 134.9839 8.337700 
14.18179       11.28350 
1 1 1 -19 15 3  o 69.74060 9.905375 52.27606       13.65301  35.34210       
18.90741  70.72629       19.73575  55.36526 15.93423 80.15903 12.51645 
-24.79377      20.26231 
1 1 1 -19 15 4  o 128.8528 5.814044 170.9236       15.23433  159.4720       
21.25105  183.0305       21.85066  123.3198 8.526501 132.3167 8.160622 
-8.996819      11.80241 
1 1 1 -19 15 5  o 47.26999 12.61782 24.81551       12.35560  12.44244       
17.01923  38.60366       17.96611  39.14505 15.10158 58.28176 15.05329 
-19.13670      21.32274 
1 1 1 -19 15 6  o 78.75163 8.240072 65.13357       13.00059  48.80034       
18.31192  81.73242       18.46021  66.04471 14.06563 87.47264 10.59401 
-21.42793      17.60895 
1 1 1 -19 15 7  f 64.96610 9.423631 44.96867       12.08629  17.02919       
16.26404  79.42778       18.06222  41.87218 15.02358 86.29598 10.50975 
-44.42381      18.33475 
1 1 1 -19 15 8  o 185.5662 4.762311 352.6157       17.97083  373.3617       
25.17623  331.0651       25.65985  190.3656 6.503553 179.0544 7.047216 
11.31120       9.589550 
1 1 1 -19 15 9  o 172.4765 5.000554 304.8013       17.53878  321.8973       
24.53189  286.9263       25.08452  176.6641 6.828595 166.5843 7.404920 
10.07979       10.07286 
1 1 1 -19 15 10 o 176.3936 5.015552 318.7882       17.99091  350.5605       
25.19957  285.7579       25.69359  184.4186 6.719501 166.1876 7.602823 
18.23103       10.14666 
1 1 1 -19 15 11 o 88.26479 7.949302 81.34061       14.11507  91.17914       
19.27796  69.97095       20.72383  92.66550 10.41053 79.98225 13.20231 
12.68324       16.81309 
1 1 1 -19 15 12 f 96.80019 7.456353 97.42380       14.56457  113.3204       
19.91524  79.14589       21.35487  103.7431 9.547188 85.37873 12.68533 
18.36440       15.87660 
1 1 1 -19 15 13 o 24.60308 11.26080 -7.806083      12.66639  -0.7876108     
17.10203  -16.33385      18.85143  32.30830 14.02509 28.21728 13.19750 
4.091013       19.25817 
1 1 1 -19 15 14 o 73.46629 9.698778 57.38525       14.13537  72.60332       
19.94595  42.03065       20.03522  81.76323 12.38396 60.77726 15.99375 
20.98597       20.22776 
1 1 1 -19 15 15 o 114.8726 7.064880 136.8655       16.42337  114.7718       
22.35591  162.7686       24.20663  103.7950 10.74738 124.2885 9.653234 
-20.49344      14.44615 
1 1 1 -19 15 16 o 161.4250 5.966454 268.2745       19.58567  295.9842       
27.40499  239.3459       28.00127  168.7307 7.987010 150.9550 9.165143 
17.77570       12.15698 
1 1 1 -19 15 17 o 105.2843 8.167530 116.2443       17.34976  122.8547       
23.75390  108.6852       25.40140  106.9241 11.08574 99.60839 12.83926 
7.315750       16.96291 
1 1 1 -19 15 18 o 101.3377 10.34202 110.2000       21.01349  97.31768       
36.82298  116.4211       25.58924  88.52099 20.80725 103.0031 12.47085 
-14.48215      24.25827 
1 1 1 -19 15 19 o 89.43226 9.655432 85.93076       17.28111  86.51909       
23.97431  85.29449       24.93218  87.32245 13.97217 86.19516 14.75467 
1.127289       20.32048 
1 1 1 -19 15 20 o 156.8150 9.259830 263.4716       29.39756  263.4716       
29.39756  0.000000       0.000000  156.8150 9.259830 ?        ?        
0.000000       9.259830 
1 1 1 -19 15 21 o 76.29338 12.23071 66.45886       18.33431  66.18288       
26.13651  66.72623       25.72562  71.76375 17.95428 72.33475 17.64607 
-0.5709991     25.17420 
1 1 1 -19 15 22 o 70.20448 15.07803 60.76456       20.88347  68.86365       
33.76020  55.74466       26.57878  68.07857 21.66482 63.69104 19.04658 
4.387527       28.84678 
1 1 1 -19 16 1  o 68.35929 10.87859 51.48806       14.61567  42.18450       
29.88455  54.41300       16.75640  58.36868 20.41987 69.61487 12.28574 
-11.24619      23.83087 
1 1 1 -19 16 2  o 99.70802 6.940929 103.8251       13.98565  106.9345       
19.46747  100.5086       20.10533  99.97006 9.698085 96.53581 10.40618 
3.434250       14.22468 
1 1 1 -19 16 3  o 121.2803 6.009147 151.8298       14.82022  170.1908       
20.96959  133.5060       20.94833  127.3750 8.138206 112.2387 9.260858 
15.13636       12.32858 
1 1 1 -19 16 4  o 28.41418 12.15767 0.7572277      12.49763  20.86716       
18.02807  -17.84827      17.34062  44.89788 15.84823 26.09175 12.34351 
18.80613       20.08802 
1 1 1 -19 16 5  o 96.34866 7.051435 96.58018       13.71979  91.15434       
19.31349  102.1075       19.49317  92.33910 10.47056 98.02537 9.915312 
-5.686272      14.42033 
1 1 1 -19 16 6  o 143.6036 5.570555 211.9391       16.26729  200.6838       
22.72496  223.7678       23.29654  138.7001 8.092164 146.5950 7.843284 
-7.894943      11.26944 
1 1 1 -19 16 7  o 134.2428 5.625808 185.1769       15.35774  189.8393       
21.62646  180.4337       21.81298  135.0151 7.911367 131.5024 8.197793 
3.512650       11.39270 
1 1 1 -19 16 8  o 60.28543 10.48099 39.25714       12.38245  29.41213       
16.44385  52.15046       18.81819  51.28055 14.88936 68.39112 14.00223 
-17.11057      20.43907 
1 1 1 -19 16 9  o 84.11805 8.035035 74.05398       13.57731  61.78814       
18.47025  88.47380       20.02646  75.23706 12.51168 90.93156 11.05786 
-15.69450      16.69786 
1 1 1 -19 16 10 o 31.78924 12.68361 6.186589       12.35469  -9.567853      
17.11962  23.30906       17.84743  28.72613 13.12668 46.93354 15.80097 
-18.20741      20.54216 
1 1 1 -19 16 11 o 44.63572 13.06323 21.82584       12.61296  30.58237       
17.42719  12.19337       18.27807  52.29342 15.36974 39.92602 15.58071 
12.36740       21.88578 
1 1 1 -19 16 12 o 85.05082 8.294896 75.81120       14.16372  65.41159       
19.08838  88.55141       21.12753  77.46169 12.54714 90.71951 11.72690 
-13.25782      17.17413 
1 1 1 -19 16 13 o 94.71351 7.659313 93.49834       14.62581  83.95229       
19.90491  104.7004       21.56241  88.43365 11.32902 99.08380 10.88059 
-10.65015      15.70777 
1 1 1 -19 16 14 o 61.43550 11.53249 41.20517       13.87854  47.04109       
19.51610  35.23443       19.74026  64.44675 15.14746 55.71767 16.35278 
8.729076       22.29033 
1 1 1 -19 16 15 o 88.45217 8.590107 82.29069       15.25621  68.00868       
20.83816  98.78966       22.39717  78.40070 13.56117 95.68755 11.75767 
-17.28685      17.94849 
1 1 1 -19 16 16 o 78.16745 14.44644 68.60617       22.11764  68.60617       
22.11764  0.000000       0.000000  78.16745 14.44644 ?        ?        
0.000000       14.44644 
1 1 1 -19 16 17 o 175.3390 5.885546 317.0309       20.98538  315.0304       
28.91133  319.2586       30.50867  173.6520 8.187227 174.5760 8.593841 
-0.9239960     11.86949 
1 1 1 -19 16 18 o 32.09521 13.76960 1.659882       16.10881  7.602763       
22.73829  -4.328176      22.82455  39.63950 16.65404 35.01754 15.65412 
4.621960       22.85626 
1 1 1 -19 16 19 o 55.96989 14.92664 36.87674       17.30100  34.43481       
24.09463  39.47581       24.85784  53.74786 18.35800 56.83657 18.63340 
-3.088715      26.15760 
1 1 1 -19 16 20 o 32.55477 14.05057 2.303014       16.96627  33.25795       
23.33388  -32.42019      24.71336  52.17488 18.05536 28.44261 13.78548 
23.73228       22.71642 
1 1 1 -19 16 21 f 50.07397 15.67472 30.93400       17.73825  -1.091547      
24.14054  68.51671       26.15126  35.70350 16.01998 72.79379 17.81188 
-37.09028      23.95627 
1 1 1 -19 16 22 o 84.34396 12.37538 82.78625       20.59452  43.76267       
33.10465  107.4240       26.30426  55.20540 21.12105 94.54272 14.11418 
-39.33732      25.40293 
1 1 1 -19 17 1  o 132.1008 6.283979 181.4030       16.88075  205.7315       
34.92378  173.9861       19.28299  135.6395 12.81323 128.6357 7.402832 
7.003769       14.79800 
1 1 1 -19 17 2  o 59.46938 13.36031 40.43565       15.76270  9.089480       
28.89213  53.71972       18.80844  43.41224 18.52776 68.44982 13.98479 
-25.03759      23.21319 
1 1 1 -19 17 3  o 123.5369 6.000722 157.6680       15.07480  150.3604       
20.86742  165.6442       21.80120  119.3430 8.657356 125.3143 8.607351 
-5.971313      12.20804 
1 1 1 -19 17 4  o 88.20594 7.610380 81.53692       13.51708  96.90702       
19.11469  66.16247       19.11739  95.22813 10.02114 77.39635 12.57857 
17.83178       16.08240 
1 1 1 -19 17 5  o 39.76736 13.40828 16.48580       12.85169  34.58069       
18.13586  -1.766282      18.21447  54.94914 15.53749 32.61024 14.30823 
22.33890       21.12200 
1 1 1 -19 17 6  o 117.7954 6.030597 143.3106       14.39731  143.7136       
20.74788  142.9362       19.99475  116.9525 8.788193 116.7640 8.478677 
0.1884842      12.21148 
1 1 1 -19 17 7  o 67.36937 9.638141 48.50616       12.82774  46.75584       
18.06656  50.28569       18.21671  64.48260 14.16504 67.06425 13.81732 
-2.581650      19.78804 
1 1 1 -19 17 8  o 34.85383 12.89496 10.74121       12.11312  5.860733       
16.79830  16.02783       17.48331  35.22243 14.51562 41.70472 15.47949 
-6.482288      21.22069 
1 1 1 -19 17 9  o 56.47770 11.25795 34.86700       12.47592  52.66119       
16.82195  13.11526       18.59877  69.31500 12.38901 40.56516 15.74825 
28.74984       20.03734 
1 1 1 -19 17 10 o 82.52589 8.397475 71.53416       13.89623  64.51872       
18.92704  79.73824       20.46775  76.84618 12.54470 85.80582 12.06327 
-8.959641      17.40379 
1 1 1 -19 17 11 o 64.42022 10.58303 44.75817       13.38227  40.27993       
18.54024  49.62888       19.33559  59.59630 15.23875 66.39896 14.70757 
-6.802662      21.17858 
1 1 1 -19 17 12 o 41.49353 13.42145 18.28238       12.91658  4.620650       
17.48648  34.68738       19.16186  35.15624 14.67599 55.31971 16.07595 
-20.16346      21.76743 
1 1 1 -19 17 13 o 126.4440 6.106182 164.6082       15.70072  182.7237       
21.97512  145.7171       22.44053  132.3226 8.207172 117.6035 9.463530 
14.71907       12.52662 
1 1 1 -19 17 14 o 48.33400 13.50892 26.04799       13.79263  32.99668       
19.09042  18.45994       19.94937  53.95361 16.14366 44.35437 16.52089 
9.599243       23.09887 
1 1 1 -19 17 15 o 63.90678 11.69809 44.77898       14.64221  57.10242       
20.49225  31.92454       20.92908  71.09616 14.66099 53.18436 17.07208 
17.91180       22.50334 
1 1 1 -19 17 16 o 106.0710 8.104051 118.0032       17.34807  163.8748       
24.68370  73.22856       24.38676  124.2394 9.850869 80.06571 15.53851 
44.17373       18.39796 
1 1 1 -19 17 17 o 63.80841 12.56205 45.50689       15.71986  34.66461       
21.68357  57.51817       22.82261  54.56593 17.36252 70.05676 16.32283 
-15.49083      23.83048 
1 1 1 -19 17 18 o 93.73981 13.63925 98.93626       25.23712  0.000000       
0.000000  98.93626       25.23712  ?        ?        93.73981 13.63925 
0.000000       13.63925 
1 1 1 -19 17 19 o 66.26304 18.50830 55.32704       25.89890  78.10394       
36.97017  33.37760       36.29241  75.62939 22.42864 54.54994 21.74698 
21.07944       31.24060 
1 1 1 -19 17 20 o 149.9401 6.849742 235.8275       20.88543  226.7365       
28.53144  246.3225       30.65575  144.4843 9.768105 150.3012 10.08843 
-5.816940      14.04252 
1 1 1 -19 17 21 o 69.27276 13.68557 57.21439       18.59490  42.63623       
25.19504  74.65504       27.55784  56.31605 18.77374 75.27386 18.20286 
-18.95782      26.14952 
1 1 1 -19 18 1  o 157.1447 6.176333 256.9071       19.73703  291.9668       
37.36742  243.3415       23.24390  162.8914 11.35186 152.1141 7.514293 
10.77730       13.61357 
1 1 1 -19 18 2  o 62.75151 11.76423 44.08719       14.46047  45.37275       
29.02711  43.66283       16.67723  60.11319 20.15149 61.53166 13.68231 
-1.418468      24.35751 
1 1 1 -19 18 3  f 45.89624 13.15141 23.85008       12.90538  13.66111       
18.23664  34.07112       18.26532  39.98693 15.57454 53.97154 15.69858 
-13.98461      22.11361 
1 1 1 -19 18 4  o 86.67561 7.985904 79.10692       13.91747  81.58730       
19.29280  76.41562       20.09633  86.64333 11.21289 83.32185 12.22407 
3.321480       16.58785 
1 1 1 -19 18 5  o 107.8430 6.499306 120.6867       14.18654  122.3228       
20.10299  119.0635       20.02285  107.4623 9.290649 105.9661 9.389186 
1.496140       13.20882 
1 1 1 -19 18 6  o 159.7989 5.149994 262.2815       16.73524  236.6036       
23.48781  288.7590       23.85078  150.6613 7.691995 166.9484 7.025366 
-16.28709      10.41742 
1 1 1 -19 18 7  o 199.9985 4.777028 410.1205       19.42835  442.2489       
27.98800  380.2408       26.99080  206.8759 6.652894 191.6975 6.923856 
15.17842       9.602123 
1 1 1 -19 18 8  o 123.4707 5.929286 156.9553       14.88736  165.3353       
20.57886  147.7543       21.56346  125.8137 8.086274 118.5249 9.014144 
7.288795       12.10961 
1 1 1 -19 18 9  o 221.7550 4.646657 503.7826       20.95393  487.5695       
28.50163  522.8533       30.91151  217.4035 6.446912 224.9735 6.756743 
-7.570053      9.338964 
1 1 1 -19 18 10 o 91.96479 7.437096 88.17735       13.78932  114.8180       
18.95221  58.21058       20.10051  104.4516 9.010823 72.13614 14.20812 
32.31551       16.82455 
1 1 1 -19 18 11 o 69.54905 9.672723 51.63764       13.30981  50.56823       
18.16543  52.87722       19.55738  67.31287 13.73584 68.56676 14.48051 
-1.253891      19.95892 
1 1 1 -19 18 12 o 23.55718 10.94905 -10.22090      12.65329  -22.51488      
17.01576  4.986784       18.92503  24.55829 11.78516 36.37975 15.23414 
-11.82146      19.26055 
1 1 1 -19 18 13 o 31.19091 12.85912 4.239595       13.18936  8.859221       
18.24935  -0.8121323     19.08376  37.84436 15.30391 33.84515 14.75286 
3.999210       21.25692 
1 1 1 -19 18 14 o 107.0744 7.261765 119.3600       15.71824  128.0188       
21.69318  109.7897       22.80649  109.8763 9.812082 101.0160 11.29578 
8.860291       14.96234 
1 1 1 -19 18 15 o 82.98089 9.281730 73.17616       15.39412  60.76139       
20.98808  87.63193       22.64769  73.25688 14.60124 89.26083 12.84716 
-16.00395      19.44854 
1 1 1 -19 18 16 f 169.6519 5.714687 296.6995       19.71527  312.4800       
27.82725  280.7951       27.93627  173.0261 7.908740 163.5369 8.429094 
9.489212       11.55845 
1 1 1 -19 18 17 o 95.32278 8.981923 96.61736       17.20546  101.1577       
23.67534  91.53568       25.04694  95.70449 12.46048 89.97173 14.15759 
5.732765       18.86003 
1 1 1 -19 18 18 o 102.8662 8.575719 112.4540       17.77535  108.2992       
24.26788  117.2632       26.10929  98.71014 12.36082 102.4453 12.81314 
-3.735153      17.80355 
1 1 1 -19 18 19 o 34.71639 15.85223 -7.591711      24.90882  -38.06371      
35.36772  22.39808       35.08676  34.50864 16.66862 49.58664 20.75191 
-15.07800      26.61737 
1 1 1 -19 18 20 o 57.90933 18.58007 44.10093       24.79195  0.000000       
0.000000  44.10093       24.79195  ?        ?        57.90933 18.58007 
0.000000       18.58007 
1 1 1 -19 18 21 o 123.8297 10.61792 171.5111       26.47859  196.5647       
37.70708  147.1386       37.19101  127.3943 14.83302 106.5804 17.78653 
20.81390       23.15986 
1 1 1 -19 19 1  o 73.62475 11.09826 60.53064       16.10007  58.93544       
29.58246  61.20200       19.19126  66.30843 20.15399 72.55921 13.50341 
-6.250778      24.25954 
1 1 1 -19 19 2  o 53.96575 13.26260 33.73323       14.45097  99.97923       
29.85597  13.46481       16.51435  91.30551 16.69511 38.53719 14.87342 
52.76833       22.35946 
1 1 1 -19 19 3  o 80.73547 8.153105 69.13934       13.20226  63.57325       
18.44555  74.98586       18.90453  75.37265 12.47052 82.46145 11.59386 
-7.088799      17.02737 
1 1 1 -19 19 4  o 63.40212 10.37911 43.84950       12.91866  3.760194       
18.00524  86.38424       18.54627  34.62651 14.69797 89.45098 10.38926 
-54.82447      17.99908 
1 1 1 -19 19 5  o 106.3086 6.738138 117.5981       14.49133  116.7825       
20.46398  118.4184       20.52382  104.6639 9.726068 105.4209 9.681901 
-0.7569656     13.72354 
1 1 1 -19 19 6  o 81.92010 9.719497 71.71793       15.87559  79.93931       
18.99042  52.63840       28.92985  85.92688 11.12960 65.82491 19.91337 
20.10197       22.81250 
1 1 1 -19 19 7  o 40.37047 14.43752 16.13928       15.00825  23.28175       
18.23981  1.165596       26.40953  46.60780 15.97234 39.82469 17.35727 
6.783108       23.58793 
1 1 1 -19 19 8  o 60.84347 12.55850 41.13357       15.02315  49.14815       
17.83982  21.59193       27.85675  66.17967 13.70702 49.16938 19.22175 
17.01029       23.60843 
1 1 1 -19 19 9  o 135.5748 6.560709 189.8627       18.08760  195.9543       
21.44348  174.8400       33.67473  137.1172 7.721884 126.5089 13.28830 
10.60834       15.36901 
1 1 1 -19 19 10 o 147.8749 6.369325 225.6368       19.15310  217.1131       
22.70189  246.6881       35.67693  144.3497 7.762344 151.6561 11.65774 
-7.306442      14.00560 
1 1 1 -19 19 11 o 63.04141 10.59728 43.06220       13.10338  47.66119       
17.73307  37.53108       19.44731  65.16949 13.81010 57.17568 16.06232 
7.993809       21.18295 
1 1 1 -19 19 12 o 46.96172 13.31204 24.59027       13.29555  36.07502       
18.14567  11.27705       19.53681  56.17568 15.41724 39.92059 15.94281 
16.25508       22.17802 
1 1 1 -19 19 13 o 63.37210 10.98027 43.74802       13.63755  50.90344       
18.42163  35.07128       20.28564  67.27915 13.92359 55.25895 16.66561 
12.02021       21.71656 
1 1 1 -19 19 14 o 74.27357 9.905124 59.15593       14.58759  57.41624       
20.92473  60.80095       20.34734  70.96873 14.97007 73.48785 14.12891 
-2.519112      20.58468 
1 1 1 -19 19 15 o 108.9406 7.430586 123.9998       16.36306  128.1959       
22.48961  119.2799       23.85218  109.4964 10.21829 104.9942 11.35221 
4.502136       15.27371 
1 1 1 -19 19 16 o 57.36280 13.35095 37.42697       15.28178  35.10666       
21.06046  40.00718       22.20862  54.71628 17.07175 58.01198 17.42455 
-3.295696      24.39384 
1 1 1 -19 19 17 o 49.12458 14.79592 27.87000       15.99711  27.27587       
22.41291  28.48699       22.83978  49.43546 17.64702 50.24417 17.82718 
-0.8087158     25.08437 
1 1 1 -19 19 18 o 78.80509 12.88666 70.39886       19.93728  80.96116       
23.57415  43.86751       37.36256  83.62290 14.38160 58.97846 22.46826 
24.64444       26.67682 
1 1 1 -19 19 19 o 68.58552 16.06689 57.73401       22.01591  130.3792       
38.98095  23.70747       26.67828  100.0544 19.85936 47.28012 18.70933 
52.77431       27.28430 
1 1 1 -19 19 20 f 164.5470 6.675211 284.8389       22.33605  243.8548       
31.11292  328.4250       32.08541  148.5084 10.36744 174.0157 9.098696 
-25.50729      13.79385 
1 1 1 -19 19 21 o 24.85059 12.18243 -32.38670      20.91484  -17.09148      
29.25443  -48.37796      29.91266  33.68704 15.96464 28.52257 14.09501 
5.164471       21.29646 
1 1 1 -19 20 1  o 72.20687 9.257041 56.96500       13.27961  79.96371       
29.75495  51.24466       14.83947  78.08875 18.93371 67.37276 11.22641 
10.71598       22.01177 
1 1 1 -19 20 2  o 104.7680 8.532973 117.2786       18.02151  150.6091       
32.10765  101.9486       21.77501  114.3406 14.10802 95.85622 11.39405 
18.48436       18.13451 
1 1 1 -19 20 3  o 30.04696 12.37357 4.605678       12.19512  5.050284       
16.93442  4.126718       17.57650  34.14200 14.35977 34.15963 14.51175 
-0.1762390E-01 20.41553 
1 1 1 -19 20 4  o 32.75718 12.80242 8.271146       12.35498  15.33212       
17.18912  0.7244143      17.77054  40.36496 15.27256 32.91706 14.29297 
7.447903       20.91746 
1 1 1 -19 20 5  o 68.54992 11.63321 51.88652       15.63681  82.25687       
19.10473  -9.748381      27.21632  86.95212 11.05450 36.41945 16.60671 
50.53267       19.94956 
1 1 1 -19 20 6  o 22.08888 10.62575 -19.22967      14.02391  -12.29266      
16.28080  -39.17732      27.60801  26.65402 12.39884 29.96747 14.53524 
-3.313450      19.10509 
1 1 1 -19 20 7  o 105.9797 7.846029 117.7019       16.78909  102.1738       
19.73839  158.3307       31.92784  97.75731 10.07341 119.8826 13.32200 
-22.12530      16.70178 
1 1 1 -19 20 8  f 147.4496 6.425335 224.7213       19.26597  243.4971       
23.03576  181.0189       35.14435  153.0793 7.400051 128.1292 13.70061 
24.95003       15.57137 
1 1 1 -19 20 9  o 180.9698 5.622396 337.1267       20.69089  326.6781       
24.88701  360.5156       37.23493  177.5973 6.891043 184.5012 9.961217 
-6.903870      12.11249 
1 1 1 -19 20 10 o 124.7853 7.027857 161.8434       17.76095  159.9832       
20.96325  166.5755       33.43506  123.4937 8.397496 123.0731 13.58589 
0.4206848      15.97167 
1 1 1 -19 20 11 f 67.55460 11.92435 50.16800       15.78214  66.36911       
18.91894  13.09597       28.61855  77.71682 12.38682 45.68968 18.89871 
32.02714       22.59634 
1 1 1 -19 20 12 o 27.56998 12.09756 -1.860751      13.02282  -18.26696      
17.53051  18.34180       19.45331  26.14780 12.38206 43.80161 16.31435 
-17.65381      20.48105 
1 1 1 -19 20 13 o 107.5399 7.122264 120.4968       15.48722  108.0569       
21.20121  134.7299       22.67774  100.3754 10.54440 112.4531 10.02197 
-12.07771      14.54731 
1 1 1 -19 20 14 o 115.3098 7.014572 138.4941       16.37005  143.9963       
22.31636  132.0845       24.08633  116.4465 9.507174 110.8010 10.82835 
5.645500       14.40970 
1 1 1 -19 20 15 o 107.4975 7.662832 121.1755       16.64127  137.2184       
22.86662  103.1118       24.26412  113.2340 10.03450 96.62435 12.65288 
16.60960       16.14889 
1 1 1 -19 20 16 o 200.5696 5.492740 415.0987       22.40297  415.3869       
30.90533  414.7796       32.52160  199.2918 7.625926 198.8354 8.043161 
0.4564056      11.08364 
1 1 1 -19 20 17 o 48.00027 14.87749 26.72329       16.02442  12.72365       
22.06849  42.33706       23.30601  41.12850 16.75681 58.66896 17.90128 
-17.54046      24.52033 
1 1 1 -19 20 18 o 99.30595 10.20656 107.6667       20.31803  126.2839       
24.92129  70.76091       35.08820  106.5159 11.69812 71.51196 21.99034 
35.00397       24.90825 
1 1 1 -19 20 19 o 70.17740 14.15891 58.66491       19.50903  57.03552       
35.36161  59.37786       23.39094  62.84430 22.19449 68.51628 16.89466 
-5.671986      27.89310 
1 1 1 -19 20 20 o 48.03292 15.40213 28.79842       17.03832  25.17575       
23.26258  32.99099       25.02552  45.98586 17.67871 50.33888 18.55159 
-4.353020      25.62613 
1 1 1 -19 20 21 o 65.96724 16.97747 58.19549       22.90815  16.99913       
30.24304  113.6494       35.08829  43.27952 18.71908 89.60339 19.78562 
-46.32387      27.23738 
1 1 1 -19 21 1  o 59.96586 12.66650 42.22010       14.96170  86.95763       
30.00780  27.41908       17.26014  81.23701 18.56968 47.32174 15.52744 
33.91528       24.20608 
1 1 1 -19 21 2  o 28.15771 12.14357 1.110840       12.65390  15.11338       
29.41265  -2.069522      14.01745  44.53912 18.83879 27.87874 12.37755 
16.66037       22.54116 
1 1 1 -19 21 3  o 29.88505 13.13562 -0.8993263     15.41099  8.904253       
29.64097  -4.531176      18.04114  42.96362 18.55719 30.65921 13.79519 
12.30441       23.12307 
1 1 1 -19 21 4  o 54.88491 13.17579 34.66153       14.51928  32.10632       
17.29401  40.76377       26.72552  52.19086 15.30273 57.48815 19.33576 
-5.297291      24.65857 
1 1 1 -19 21 5  o 109.1082 7.604325 125.0698       16.76663  132.4921       
20.28807  109.0791       29.77865  111.5981 9.016924 97.06956 15.61535 
14.52849       18.03175 
1 1 1 -19 21 6  o 117.6966 7.354527 144.9148       17.51409  157.2857       
21.10383  117.5416       31.39229  122.0400 8.557829 101.0114 15.80051 
21.02867       17.96921 
1 1 1 -19 21 7  f 114.5002 6.322218 136.0572       14.66362  163.6663       
20.72415  108.3768       20.75087  124.7708 8.213864 100.4497 10.30457 
24.32114       13.17770 
1 1 1 -19 21 8  o 107.5646 6.608050 120.2694       14.38423  122.2245       
19.96324  118.1583       20.74396  107.3400 9.235658 105.2526 9.804682 
2.087357       13.46956 
1 1 1 -19 21 9  o 94.37882 7.291024 93.09925       13.88461  90.10145       
19.13588  96.43216       20.17709  91.54301 10.46769 94.64021 10.67034 
-3.097206      14.94753 
1 1 1 -19 21 10 o 168.1835 5.839580 291.6764       19.97177  294.3297       
23.88936  285.5173       36.39748  168.4456 6.974185 163.1784 11.03359 
5.267212       13.05294 
1 1 1 -19 21 11 o 109.6429 8.070558 126.1663       17.86783  126.7917       
21.12229  124.5926       33.50394  109.2157 9.608315 104.2081 16.34834 
5.007553       18.96280 
1 1 1 -19 21 12 f 69.83031 10.20220 52.68807       14.05992  41.09486       
18.72338  67.67832       21.29054  59.57079 15.35798 77.49579 14.02644 
-17.92500      20.79924 
1 1 1 -19 21 13 o 109.6638 7.055058 125.4175       15.64964  117.9124       
21.53492  133.8167       22.78152  104.8890 10.22637 111.8463 10.12616 
-6.957283      14.39159 
1 1 1 -19 21 14 o 123.8959 6.618651 159.6352       16.61512  163.9268       
23.05966  155.0015       23.96088  124.2895 9.188754 120.4589 9.868264 
3.830635       13.48391 
1 1 1 -19 21 15 o 56.01360 13.09327 35.77801       14.64642  39.43924       
20.04317  31.58274       21.45519  57.62367 16.34820 52.10385 17.32229 
5.519821       23.81859 
1 1 1 -19 21 16 o 143.6447 6.537006 214.5843       19.09502  228.6375       
26.54038  199.5034       27.49371  146.6188 8.944335 136.1813 9.997950 
10.43755       13.41492 
1 1 1 -19 21 17 o 46.72971 15.12930 25.39449       16.41003  18.92532       
21.82900  33.80153       24.88463  43.88570 17.05448 52.86644 18.62411 
-8.980732      25.25297 
1 1 1 -19 21 18 o 39.64214 15.63582 14.48898       18.57656  -3.424568      
21.92903  60.01218       34.95787  33.73549 15.19147 65.02328 22.11297 
-31.28778      26.82842 
1 1 1 -19 21 19 o 97.76303 9.646181 105.0592       18.92703  78.01088       
26.97772  131.2780       26.56088  77.75306 17.48633 106.8314 12.46032 
-29.07837      21.47164 
1 1 1 -19 21 20 o 89.55935 11.52014 92.21300       20.49428  75.66078       
33.51472  102.0992       25.90134  70.56419 21.45263 91.51559 14.39321 
-20.95140      25.83370 
1 1 1 -19 22 1  o 144.5304 12.60070 242.1427       36.66394  242.1427       
36.66394  0.000000       0.000000  144.5304 12.60070 ?        ?        
0.000000       12.60070 
1 1 1 -19 22 2  o 106.6308 6.815013 119.9771       14.70024  112.0893       
33.86218  121.8089       16.31810  93.17713 18.52360 107.0077 7.547379 
-13.83056      20.00217 
1 1 1 -19 22 3  o 39.10226 14.61418 15.44451       15.63635  12.02959       
29.91785  16.72787       18.34064  43.78596 18.77468 41.01278 15.71385 
2.773182       24.48293 
1 1 1 -19 22 4  o 45.82124 14.26968 24.27891       14.72210  45.96539       
17.89721  -21.10421      25.89036  62.52299 14.37675 31.92168 15.09571 
30.60131       20.84637 
1 1 1 -19 22 5  o 27.42004 12.37459 -5.190528      14.64365  -5.131011      
17.04600  -5.358171      28.60846  29.72623 13.38917 38.17315 17.25554 
-8.446915      21.84086 
1 1 1 -19 22 6  f 41.87955 13.16502 19.51813       12.49802  7.038535       
17.19507  33.49475       18.19721  35.52496 14.66800 53.36777 15.71135 
-17.84281      21.49411 
1 1 1 -19 22 7  o 86.58591 7.637546 78.91030       13.31005  78.24351       
17.98981  79.71677       19.78443  84.89152 10.65583 85.14276 11.73896 
-0.2512436     15.85402 
1 1 1 -19 22 8  o 117.5661 6.036680 143.2571       14.38350  143.9559       
19.96598  142.5031       20.73871  116.7945 8.463954 115.9997 8.858693 
0.7947845      12.25214 
1 1 1 -19 22 9  o 156.4457 5.355160 252.0814       17.03678  230.5293       
23.40138  276.3868       24.85123  148.3702 7.783255 162.8129 7.505985 
-14.44269      10.81290 
1 1 1 -19 22 10 o 28.29213 12.09311 1.049600       12.34255  1.721963       
16.73914  0.2485151      18.27134  32.70037 14.03302 33.29608 14.47529 
-0.5957031     20.16084 
1 1 1 -19 22 11 o 39.99493 14.50429 15.82973       15.20941  17.57694       
17.81252  11.12781       29.22067  42.31870 15.64096 44.72275 18.83917 
-2.404045      24.48579 
1 1 1 -19 22 12 o 41.91167 14.83358 18.21159       15.80367  26.72730       
18.73009  -2.833751      29.44473  48.71785 16.18431 39.95545 17.82662 
8.762398       24.07738 
1 1 1 -19 22 13 f 34.02229 13.36669 8.758887       13.52630  27.44255       
18.35668  -13.43740      20.00798  49.08352 16.00860 29.69334 13.79011 
19.39018       21.12919 
1 1 1 -19 22 14 o 64.21185 11.22756 45.59884       14.12679  63.61036       
20.10150  28.02225       19.85732  74.77879 13.72478 49.51502 16.66697 
25.26377       21.59068 
1 1 1 -19 22 15 o 110.7446 7.397325 128.8564       16.56315  115.7790       
22.63671  143.9252       24.29922  102.9815 10.97868 115.2541 10.48234 
-12.27261      15.17929 
1 1 1 -19 22 16 o 112.7721 7.732759 134.3716       17.62611  156.0788       
23.89212  108.4485       26.10936  120.2007 9.861410 97.58298 13.52071 
22.61772       16.73490 
1 1 1 -19 22 17 o 73.66846 12.78907 62.25988       18.46404  79.81674       
21.72771  16.62906       35.02833  83.25002 13.28077 47.22290 20.28352 
36.02712       24.24459 
1 1 1 -19 22 18 o 49.93319 14.95003 30.50534       16.36800  30.95634       
22.11970  29.95952       24.33412  49.82639 17.55836 49.37606 18.27499 
0.4503288      25.34307 
1 1 1 -19 22 19 o 71.36050 12.16624 59.33113       17.02172  55.67124       
23.48219  63.38355       24.70938  64.75379 17.44215 69.16992 17.54122 
-4.416130      24.73708 
1 1 1 -19 22 20 f 25.49053 12.53021 -35.11543      22.60641  0.000000       
0.000000  -35.11543      22.60641  ?        ?        25.49053 12.53021 
0.000000       12.53021 
1 1 1 -19 23 1  o 47.94907 13.92662 28.59339       14.38398  0.5418437      
27.65421  38.99720       16.84144  37.09680 16.84742 55.51204 14.69033 
-18.41523      22.35266 
1 1 1 -19 23 2  o 41.66503 14.01660 20.34416       14.04397  52.16137       
29.29276  10.84795       16.00312  60.65432 20.24393 35.76594 14.37750 
24.88839       24.83001 
1 1 1 -19 23 3  o 57.58144 14.14950 39.78940       16.44982  34.98632       
30.33508  41.79010       19.57836  52.79678 20.21381 57.90713 16.06305 
-5.110348      25.81898 
1 1 1 -19 23 4  o 128.8179 6.708515 174.0080       17.51256  167.0623       
20.36055  193.7571       34.33244  125.3979 8.026623 130.6147 13.10254 
-5.216721      15.36565 
1 1 1 -19 23 5  o 39.57259 12.99467 17.30575       12.08771  30.74428       
16.81648  2.939924       17.38699  50.91084 15.13326 33.32038 14.30062 
17.59045       20.82122 
1 1 1 -19 23 6  o 27.91490 11.96448 1.116839       12.14085  5.736974       
17.34956  -3.316619      16.99544  34.79386 14.57911 30.37865 13.54942 
4.415203       19.90319 
1 1 1 -19 23 7  o 56.29182 11.52729 35.48859       12.75142  34.19445       
17.81824  36.84713       18.25619  53.84713 15.46010 55.80846 15.52198 
-1.961327      21.90768 
1 1 1 -19 23 8  o 120.6256 6.000849 150.6184       14.71986  166.0455       
21.11269  136.0262       20.53344  125.3811 8.327936 113.0726 9.004667 
12.30856       12.26534 
1 1 1 -19 23 9  o 100.9248 7.039919 106.5555       14.35782  105.9470       
19.96975  107.2066       20.65776  99.22900 10.03443 99.65328 10.34462 
-0.4242783     14.41184 
1 1 1 -19 23 10 o 115.3364 6.392724 138.3362       14.93488  125.2718       
20.84010  152.1299       21.41381  108.2527 9.565366 119.7696 8.854942 
-11.51692      13.03481 
1 1 1 -19 23 11 o 96.65494 7.345298 98.00350       14.32924  93.05109       
19.43079  103.9077       21.21589  92.71172 10.49096 97.82584 10.84751 
-5.114113      15.09068 
1 1 1 -19 23 12 o 106.0194 8.224490 118.7639       17.59274  133.6683       
21.47340  88.33575       30.68179  111.8037 9.535979 85.29022 18.24210 
26.51347       20.58420 
1 1 1 -19 23 13 o 78.38572 9.434557 66.13391       14.73666  68.19540       
19.65294  63.48592       22.27383  77.86983 12.85994 73.62447 15.37346 
4.245354       20.04298 
1 1 1 -19 23 14 o 44.49369 14.17846 22.46254       14.45575  35.88453       
19.60268  6.462357       21.40274  54.72990 16.35495 37.87275 16.04745 
16.85716       22.91299 
1 1 1 -19 23 15 o 161.2074 5.902127 269.6109       19.34840  262.6984       
26.18057  277.9301       28.72110  157.4841 8.203434 161.5320 8.776559 
-4.047821      12.01350 
1 1 1 -19 23 16 o 97.81596 8.869644 102.8857       17.45093  120.9186       
22.82155  77.49532       27.07993  104.7207 10.87531 78.98868 17.33478 
25.73203       20.46379 
1 1 1 -19 23 17 o 84.04844 11.55250 79.73323       19.22291  76.56700       
22.94313  87.19168       35.21324  80.06186 14.63126 78.80659 21.41455 
1.255264       25.93562 
1 1 1 -19 23 18 o 96.59073 9.074455 101.9593       17.61513  122.7315       
25.04932  81.63792       24.77605  103.3367 12.15253 81.16914 15.57680 
22.16755       19.75653 
1 1 1 -19 23 19 o 40.17579 15.19060 18.25018       16.99780  22.36685       
23.61238  13.82231       24.48858  43.96717 17.53710 40.38480 17.14161 
3.582367       24.52315 
1 1 1 -19 23 20 o 89.29077 14.22334 99.09678       24.95973  0.000000       
0.000000  99.09678       24.95973  ?        ?        89.29077 14.22334 
0.000000       14.22334 
1 1 1 -19 24 1  o 103.7589 6.858457 115.2223       14.38952  159.3105       
34.07750  105.6555       15.87415  111.8968 15.38295 98.46510 7.996964 
13.43173       17.33743 
1 1 1 -19 24 2  o 23.19955 11.01443 -13.35166      14.04888  18.97805       
29.89738  -22.51334      15.91549  44.34113 18.88383 22.55981 10.96380 
21.78132       21.83585 
1 1 1 -19 24 3  o 38.28703 14.47089 15.16333       15.42152  57.99137       
31.51328  1.677318       17.68363  63.48625 20.98816 32.30592 14.13831 
31.18033       25.30602 
1 1 1 -19 24 4  o 126.2594 5.713968 165.8072       14.67077  145.9575       
20.08474  188.5122       21.48075  116.6038 8.529550 133.0125 7.978416 
-16.40865      11.67940 
1 1 1 -19 24 5  o 28.93888 12.08490 3.643930       11.86302  8.096007       
16.44255  -1.189556      17.13240  35.06530 14.39540 31.09736 13.75107 
3.967941       19.90777 
1 1 1 -19 24 6  o 96.19597 10.24964 100.9157       19.74132  0.000000       
0.000000  100.9157       19.74132  ?        ?        96.19597 10.24964 
0.000000       10.24964 
1 1 1 -19 24 7  o 64.13975 10.19949 45.18297       12.85782  33.01269       
18.31494  57.01057       18.05525  52.59457 15.82944 70.70087 13.03857 
-18.10630      20.50794 
1 1 1 -19 24 8  o 92.99928 7.319429 91.02336       13.73043  98.92788       
19.17073  82.69788       19.67458  95.61797 10.00760 86.54145 11.46170 
9.076523       15.21587 
1 1 1 -19 24 9  o 23.40649 10.80796 -8.033570      12.03152  -10.43826      
16.49283  -5.298161      17.59044  27.26897 12.61343 30.15909 13.59112 
-2.890118      18.54231 
1 1 1 -19 24 10 o 63.31212 10.45551 44.04045       12.99128  45.82100       
18.20235  42.19177       18.54741  62.63528 14.56615 59.75709 15.22105 
2.878193       21.06782 
1 1 1 -19 24 11 o 34.07483 13.10760 9.828481       12.79282  -7.233378      
18.04589  27.06498       18.13801  29.84636 13.57577 48.43877 15.91855 
-18.59241      20.92133 
1 1 1 -19 24 12 o 113.6125 6.905755 135.1057       15.87903  107.0219       
21.31895  170.0995       23.79764  99.04958 10.75722 126.0777 9.348650 
-27.02813      14.25185 
1 1 1 -19 24 13 o 62.84059 13.09973 45.30877       16.19740  33.29737       
19.61197  71.08103       28.72768  52.72010 16.47835 75.10394 18.84166 
-22.38384      25.03086 
1 1 1 -19 24 14 o 36.20542 13.76753 12.08077       14.01239  14.64930       
19.27073  9.199163       20.41145  40.47179 15.93729 38.26589 15.90499 
2.205902       22.51591 
1 1 1 -19 24 15 o 161.5633 5.852689 271.2541       19.22869  288.7474       
26.25688  251.0214       28.23802  165.3049 7.810985 152.8522 9.126369 
12.45270       12.01258 
1 1 1 -19 24 16 o 42.96604 15.42659 20.82995       17.15107  38.26843       
19.75312  -32.58973      34.57259  55.28661 16.39406 34.53192 16.62958 
20.75469       23.35184 
1 1 1 -19 24 17 o 36.61357 14.20126 12.90241       15.11361  20.66871       
20.46999  3.595006       22.40914  43.19145 16.58857 36.07797 15.84912 
7.113480       22.94287 
1 1 1 -19 24 18 o 101.5170 8.775842 112.6983       17.93853  107.8363       
24.89503  117.9489       25.87094  95.29772 13.20084 99.85886 13.05247 
-4.561142      18.56419 
1 1 1 -19 24 19 o 38.56979 15.39251 15.59210       18.19936  19.49140       
29.65802  13.23696       23.04925  43.52474 18.67865 39.14741 16.62409 
4.377327       25.00505 
1 1 1 -19 25 1  o 47.46008 12.64778 28.05200       12.42747  43.09842       
29.32102  24.75713       13.72085  52.19755 19.89949 44.01119 13.78736 
8.186359       24.20911 
1 1 1 -19 25 2  f 39.11083 14.31448 17.77884       14.86292  -3.006231      
28.82015  25.30975       17.34780  36.35453 16.76596 44.63939 15.56123 
-8.284851      22.87465 
1 1 1 -19 25 3  o 46.72189 14.05856 26.81323       14.44756  -6.134138      
28.94195  37.74838       16.67361  36.26510 16.75154 54.97573 14.64970 
-18.71062      22.25372 
1 1 1 -19 25 4  o 116.2789 7.700529 144.3458       18.10537  139.0379       
36.75398  146.0465       20.80478  104.0279 18.02732 116.0643 8.882240 
-12.03642      20.09673 
1 1 1 -19 25 5  o 101.4938 6.907507 108.7297       14.17166  131.4473       
19.80898  84.91210       20.28295  110.3393 8.904202 86.63267 11.82187 
23.70665       14.80005 
1 1 1 -19 25 6  o 35.73177 13.81058 11.50568       14.25451  16.13503       
28.63280  9.980265       16.43607  44.71448 18.73223 36.05373 14.54337 
8.660748       23.71510 
1 1 1 -19 25 7  o 40.17308 14.52183 17.07388       15.22835  14.96781       
31.27884  17.72818       17.43408  45.57182 19.35934 41.40377 15.43988 
4.168049       24.76235 
1 1 1 -19 25 8  o 42.63960 14.82319 20.11824       15.73606  -10.93403      
31.11742  30.78787       18.24028  37.75179 17.41420 50.74603 15.89660 
-12.99425      23.57872 
1 1 1 -19 25 9  o 92.31739 9.439363 91.97098       17.47132  94.02075       
34.31146  91.25347       20.30015  85.31995 20.10554 90.90420 11.21962 
-5.584244      23.02418 
1 1 1 -19 25 10 o 92.06089 7.489312 89.51259       13.89913  94.76445       
19.78518  84.39534       19.52997  93.03309 10.64992 87.38564 11.25169 
5.647446       15.49263 
1 1 1 -19 25 11 o 24.37818 11.21958 -7.655415      12.81348  -8.219928      
17.31774  -6.972498      19.04750  28.69273 13.14526 30.64219 13.94150 
-1.949453      19.16150 
1 1 1 -19 25 12 o 70.44426 10.43135 54.64910       14.49128  67.70473       
19.78989  39.55549       21.27850  76.97263 13.11323 56.67919 17.06288 
20.29344       21.51973 
1 1 1 -19 25 13 o 135.8276 7.291540 194.2999       20.06633  211.2391       
23.88435  153.6533       36.99810  140.8724 8.375229 113.0243 16.59128 
27.84803       18.58534 
1 1 1 -19 25 14 o 32.52734 13.37479 6.442080       14.22186  19.61835       
18.59846  -12.11141      22.06956  42.81419 15.95083 31.17037 14.47842 
11.64381       21.54190 
1 1 1 -19 25 15 o 101.5269 9.099241 111.7133       18.58682  108.5693       
21.57340  120.7690       36.61328  98.76594 10.92429 96.06436 19.41032 
2.701576       22.27332 
1 1 1 -19 25 16 o 44.65257 15.19396 23.90682       16.50422  30.73966       
19.04907  3.336120       33.05201  49.49676 16.31573 41.25944 18.60839 
8.237320       24.74823 
1 1 1 -19 25 17 f 35.37489 14.06127 11.40267       15.13193  -0.2543616     
20.54591  25.22121       22.36981  33.14636 14.83242 45.57092 17.37941 
-12.42455      22.84829 
1 1 1 -19 25 18 o 37.05976 14.48634 14.26267       15.82084  -4.103125      
21.84202  34.53362       22.94695  32.26176 14.77392 50.13087 17.86020 
-17.86911      23.17877 
1 1 1 -19 25 19 o 76.54745 12.61431 70.87823       18.95157  83.77874       
31.61212  63.64045       23.67845  73.62228 20.40711 67.73799 17.16773 
5.884293       26.66797 
1 1 1 -19 26 1  o 54.66013 11.87274 36.68244       12.81925  55.92670       
30.18715  32.44849       14.15939  56.95767 20.46443 49.96390 13.58031 
6.993771       24.56049 
1 1 1 -19 26 2  o 38.68301 14.08476 17.89466       14.36299  -17.80891      
29.89791  28.60671       16.37650  32.91114 15.74798 46.61111 15.11623 
-13.69996      21.82886 
1 1 1 -19 26 3  o 29.94687 12.78280 3.975779       13.75630  40.10189       
30.69028  -5.107171      15.38876  52.38686 20.25986 27.18706 12.43195 
25.19980       23.77005 
1 1 1 -19 26 4  o 101.9192 9.937539 115.4292       20.33413  101.4481       
35.23236  122.4123       24.89966  84.22530 20.71436 102.9248 12.12949 
-18.69952      24.00436 
1 1 1 -19 26 5  f 52.50321 14.11576 33.57202       15.39680  27.97828       
31.94986  35.26400       17.57177  49.18686 20.11500 53.13914 15.38075 
-3.952282      25.32155 
1 1 1 -19 26 6  o 34.45791 13.90669 9.136821       15.03674  5.297597       
31.29847  10.28887       17.14501  41.51254 18.45991 36.35876 14.78668 
5.153774       23.65194 
1 1 1 -19 26 7  o 86.64685 9.450740 81.81023       16.38208  9.305449       
29.60401  113.8127       19.66794  42.36350 18.42137 102.2476 9.570537 
-59.88409      20.75914 
1 1 1 -19 26 8  o 75.46488 11.03826 63.55180       16.43852  99.93019       
33.34721  51.87418       18.89361  87.95914 19.18373 66.00333 14.47506 
21.95581       24.03212 
1 1 1 -19 26 9  o 77.93594 11.09080 67.65808       17.08142  97.22564       
34.63243  58.15303       19.63598  85.91529 20.16815 70.24755 14.23343 
15.66774       24.68491 
1 1 1 -19 26 10 o 57.58562 14.35880 39.49356       16.75669  96.66173       
34.77995  22.21207       19.12240  85.59972 20.28993 44.67874 16.25414 
40.92097       25.99766 
1 1 1 -19 26 11 o 31.47943 12.88839 6.021507       13.13571  7.035645       
17.71561  4.783070       19.57694  35.32285 14.76092 35.48372 15.20030 
-0.1608696     21.18806 
1 1 1 -19 26 12 o 52.17152 13.30346 32.01068       14.15756  27.79588       
19.15500  37.08524       21.01808  48.24656 16.36894 54.52515 17.06151 
-6.278595      23.64397 
1 1 1 -19 26 13 o 77.54669 9.804637 66.00576       15.11583  84.66465       
20.44158  43.49245       22.45387  86.52159 11.93599 58.37094 17.51781 
28.15065       21.19768 
1 1 1 -19 26 14 f 63.76744 15.34750 50.00011       19.66133  50.00011       
19.66133  0.000000       0.000000  63.76744 15.34750 ?        ?        
0.000000       15.34750 
1 1 1 -19 26 15 o 35.51892 14.51604 9.755361       16.62537  14.76412       
19.56962  -3.235836      31.51679  39.65303 15.91353 38.73341 17.74095 
0.9196205      23.83237 
1 1 1 -19 26 16 o 78.61653 10.11905 69.29028       15.80172  50.13829       
20.84151  95.18536       24.23431  62.16879 16.28955 89.00698 13.83876 
-26.83819      21.37430 
1 1 1 -19 26 17 o 101.1981 8.605351 112.2762       17.54088  129.7752       
23.99723  92.19995       25.70369  106.1830 11.28664 85.33406 15.37793 
20.84893       19.07534 
1 1 1 -19 26 18 o 58.56498 15.36894 45.30468       18.53374  42.45689       
29.81873  47.09740       23.65879  52.42081 20.04787 56.90663 18.13914 
-4.485821      27.03601 
1 1 1 -19 27 1  o 61.43531 12.14298 47.09471       14.63255  81.44950       
29.77139  36.15229       16.80205  69.97330 19.94974 50.73743 15.13703 
19.23587       25.04240 
1 1 1 -19 27 2  o 108.0260 8.168090 128.9400       17.81064  128.6982       
34.42424  129.0284       20.81286  93.88090 18.68869 106.3231 9.734191 
-12.44224      21.07182 
1 1 1 -19 27 3  o 34.81707 15.02246 7.649866       19.38285  10.58759       
29.30840  5.366159       25.84085  39.89363 17.79318 36.94522 16.57603 
2.948406       24.31793 
1 1 1 -19 27 4  o 33.92734 13.51714 10.47761       14.01329  51.68785       
32.13674  0.8021323      15.57168  57.61989 21.05474 29.78276 13.14276 
27.83712       24.82004 
1 1 1 -19 27 5  o 57.72379 15.54973 42.56914       18.66227  59.66386       
32.42827  34.10384       22.81992  62.74366 21.29808 50.70672 17.83782 
12.03695       27.78121 
1 1 1 -19 27 6  o 29.62701 12.08840 5.774374       11.50598  12.47300       
15.53574  -2.363682      17.12376  36.46967 14.32615 30.09620 13.49900 
6.373468       19.68404 
1 1 1 -19 27 7  o 26.46136 11.55031 -0.1362072E-02 11.73388  6.336535       
16.00539  -7.366022      17.25321  33.38614 13.99680 28.46054 13.06898 
4.925592       19.14964 
1 1 1 -19 27 8  o 82.08663 7.887646 72.21972       13.00442  73.39862       
18.41784  71.04765       18.36432  80.49010 11.58626 79.03673 11.78637 
1.453369       16.52755 
1 1 1 -19 27 9  o 81.30446 7.943599 70.83752       12.96580  69.50241       
17.37370  72.51582       19.47920  78.64294 11.17842 79.47987 12.46182 
-0.8369370     16.74079 
1 1 1 -19 27 10 o 112.2000 8.494883 135.2443       19.23845  154.2821       
36.12848  127.7094       22.72894  112.4820 16.26731 107.4962 10.53295 
4.985786       19.37959 
1 1 1 -19 27 11 o 40.40044 15.34271 16.89018       17.38794  30.51795       
35.90035  12.71355       19.87464  51.55421 21.23020 39.09902 15.91287 
12.45518       26.53189 
1 1 1 -19 27 12 o 85.82757 8.577465 79.61770       14.77005  54.97025       
19.24543  114.9384       23.03861  67.58508 14.44139 101.1142 11.40368 
-33.52908      18.40102 
1 1 1 -19 27 13 o 35.89514 14.29351 11.17170       15.66155  16.20263       
18.48615  -1.622110      29.47967  40.14606 15.66843 38.32887 17.40219 
1.817196       23.41658 
1 1 1 -19 27 14 o 37.09988 15.29972 10.88181       18.67782  10.88181       
18.67782  0.000000       0.000000  37.09988 15.29972 ?        ?        
0.000000       15.29972 
1 1 1 -19 27 15 o 111.9415 7.659915 134.6201       17.33200  162.1033       
23.69584  102.9997       25.41685  120.9663 9.714832 92.40527 13.96145 
28.56100       17.00882 
1 1 1 -19 27 16 o 49.32321 14.27188 30.74772       15.13153  34.53250       
20.36535  26.08332       22.60841  50.64141 16.87855 45.39845 17.43416 
5.242962       24.26593 
1 1 1 -19 27 17 o 31.18404 13.30029 5.370928       14.87117  17.96470       
19.81153  -10.88363      22.50752  40.00202 16.02642 30.39049 14.27957 
9.611532       21.46514 
1 1 1 -19 27 18 o 41.69709 15.53390 22.37284       17.63849  4.816946       
27.09596  35.28290       23.23578  36.76221 16.68816 48.99428 17.90305 
-12.23207      24.47476 
1 1 1 -19 28 1  o 34.43808 14.17611 13.14813       15.99896  0.000000       
0.000000  13.14813       15.99896  ?        ?        34.43808 14.17611 
0.000000       14.17611 
1 1 1 -19 28 2  o 64.36832 9.887346 48.39833       12.52816  57.26545       
30.90344  46.65446       13.70484  56.07297 20.62289 62.01340 11.28336 
-5.940430      23.50782 
1 1 1 -19 28 3  o 37.86979 12.94211 17.61486       11.97518  18.82759       
30.04412  17.38580       13.05723  41.82310 18.36276 37.74069 13.46970 
4.082413       22.77331 
1 1 1 -19 28 4  f 29.77063 12.95818 2.907680       14.67711  -0.4479516     
29.74895  3.987251       16.87369  36.87800 17.01668 31.76307 13.85806 
5.114927       21.94569 
1 1 1 -19 28 5  o 37.29428 13.52895 15.81551       13.23411  8.853809       
16.10576  30.28708       23.22101  34.03413 14.13566 47.62552 17.80743 
-13.59139      22.73591 
1 1 1 -19 28 6  o 69.52878 12.51545 57.22298       17.04475  57.22298       
17.04475  0.000000       0.000000  69.52878 12.51545 ?        ?        
0.000000       12.51545 
1 1 1 -19 28 7  o 46.35799 13.77618 26.23411       13.93707  27.53632       
16.27926  22.66009       26.96957  47.02604 15.05261 45.31419 18.50029 
1.711853       23.85040 
1 1 1 -19 28 8  o 27.43433 11.73677 2.091816       11.64434  -6.915505      
15.65422  13.24899       17.42251  27.07005 12.43719 37.75887 15.06307 
-10.68883      19.53406 
1 1 1 -19 28 9  o 86.53476 7.813503 80.43665       13.60122  84.48721       
18.23045  75.35152       20.42636  86.88358 10.53362 80.19170 12.96863 
6.691872       16.70756 
1 1 1 -19 28 10 o 88.16528 8.140588 83.81483       14.43021  76.61406       
19.29059  92.96346       21.74373  81.67791 11.96936 89.87343 12.21376 
-8.195518      17.10092 
1 1 1 -19 28 11 o 45.27583 15.59966 24.84486       17.40908  -3.858131      
33.49099  35.47217       20.37867  39.41483 18.13946 52.46714 16.84654 
-13.05231      24.75573 
1 1 1 -19 28 12 o 109.9969 11.32244 137.0739       24.96452  100.3693       
38.24962  164.3126       32.95040  81.93890 22.34083 117.3792 14.08573 
-35.44035      26.41061 
1 1 1 -19 28 13 o 76.28938 11.09753 66.40623       16.71169  72.66728       
19.92307  51.54333       30.69617  78.40106 12.94839 59.15997 20.69537 
19.24110       24.41228 
1 1 1 -19 28 14 o 39.77113 15.75834 16.59871       18.94890  16.59871       
18.94890  0.000000       0.000000  39.77113 15.75834 ?        ?        
0.000000       15.75834 
1 1 1 -19 28 15 f 52.90499 13.79990 35.05925       15.00164  29.14653       
19.89929  42.84393       22.83307  47.02407 16.64486 55.21436 17.84308 
-8.190289      24.40137 
1 1 1 -19 28 16 o 26.60599 12.16285 -4.437519      14.71686  -19.09508      
19.64862  14.29378       22.21187  26.24424 12.61277 38.88490 16.40498 
-12.64066      20.69312 
1 1 1 -19 28 17 o 90.28410 10.00156 93.46137       18.05394  107.1187       
27.16909  82.66235       24.15936  90.43005 15.32151 78.90432 15.60963 
11.52573       21.87257 
1 1 1 -19 28 18 o 30.06796 13.56373 0.3035735      17.57113  25.93071       
27.53787  -17.29522      22.82032  43.46453 18.29781 28.35095 13.61656 
15.11359       22.80835 
1 1 1 -19 29 1  o 26.66393 11.90470 1.493329       13.15570  0.000000       
0.000000  1.493329       13.15570  ?        ?        26.66393 11.90470 
0.000000       11.90470 
1 1 1 -19 29 2  o 147.2309 7.321914 238.3851       21.92174  0.000000       
0.000000  238.3851       21.92174  ?        ?        147.2309 7.321914 
0.000000       7.321914 
1 1 1 -19 29 3  f 38.94304 14.17496 19.56570       14.54588  -5.920142      
30.25025  27.23080       16.58969  34.35127 16.26630 44.24271 15.22902 
-9.891434      22.28263 
1 1 1 -19 29 4  o 82.17284 9.729026 77.31969       15.94169  107.3906       
33.37815  68.43310       18.14498  83.43121 19.94422 74.83646 12.35431 
8.594749       23.46062 
1 1 1 -19 29 5  o 40.10025 14.45949 19.83740       15.08425  23.70969       
29.47878  18.46385       17.55687  44.15025 18.77562 39.55604 15.31633 
4.594212       24.23043 
1 1 1 -19 29 6  f 56.13799 11.72085 37.53830       12.94831  42.51329       
15.73510  27.10347       22.78851  58.48397 13.50375 45.55260 17.50107 
12.93137       22.10518 
1 1 1 -19 29 7  o 31.20657 12.60116 7.791270       12.35310  -5.601104      
14.73858  39.41380       22.64775  26.41563 12.11119 53.28351 17.80022 
-26.86788      21.52972 
1 1 1 -19 29 8  o 42.13007 13.67634 21.53150       13.40346  16.65111       
16.22662  32.01287       23.77991  38.92456 14.81210 49.01609 18.08080 
-10.09153      23.37335 
1 1 1 -19 29 9  o 23.21856 10.92267 -10.62974      13.23540  -10.86490      
15.30453  -9.932168      26.35950  25.20257 11.82046 33.64574 15.69299 
-8.443172      19.64671 
1 1 1 -19 29 10 o 58.09786 14.75593 42.44004       17.46656  42.44004       
17.46656  0.000000       0.000000  58.09786 14.75593 ?        ?        
0.000000       14.75593 
1 1 1 -19 29 11 o 43.05409 15.75511 22.29723       18.00406  22.29723       
18.00406  0.000000       0.000000  43.05409 15.75511 ?        ?        
0.000000       15.75511 
1 1 1 -19 29 12 o 45.76096 19.97836 20.70576       35.12044  20.70576       
35.12044  0.000000       0.000000  45.76096 19.97836 ?        ?        
0.000000       19.97836 
1 1 1 -19 29 13 f 62.55197 15.56588 50.79370       19.72066  50.79370       
19.72066  0.000000       0.000000  62.55197 15.56588 ?        ?        
0.000000       15.56588 
1 1 1 -19 29 14 o 29.00355 13.03449 -1.430863      16.04953  -5.439115      
19.03261  8.434868       29.85970  29.75505 13.68666 39.70947 17.81719 
-9.954412      22.46724 
1 1 1 -19 29 15 o 54.04219 14.63387 38.17953       16.47792  60.81360       
20.03416  -9.150722      28.97072  68.60770 14.79489 34.24014 16.12344 
34.36756       21.88273 
1 1 1 -19 29 16 f 95.75656 10.02304 105.3000       19.22809  99.49803       
22.74882  119.8146       35.98103  90.01179 12.78775 87.57033 20.55736 
2.441460       24.21015 
1 1 1 -19 29 17 o 44.52065 16.44221 28.12780       19.67679  31.13348       
25.46578  23.67468       30.99680  45.57652 18.20178 42.84954 18.73642 
2.726982       26.12199 
1 1 1 -19 30 2  o 34.61340 12.89083 15.27586       12.14491  0.000000       
0.000000  15.27586       12.14491  ?        ?        34.61340 12.89083 
0.000000       12.89083 
1 1 1 -19 30 3  o 53.90384 13.41762 38.76371       14.64998  -1.580461      
32.79308  48.82308       16.37485  35.31534 16.78447 60.54761 13.62816 
-25.23227      21.62048 
1 1 1 -19 30 4  o 59.54537 10.42140 42.15138       12.15932  26.34224       
32.07961  44.80371       13.13978  43.23783 18.97948 60.93124 11.00986 
-17.69341      21.94168 
1 1 1 -19 30 5  o 29.19961 12.75868 3.108138       14.35034  -0.8807876     
29.38038  4.357917       16.44547  35.66868 16.61351 31.13287 13.62941 
4.535814       21.48883 
1 1 1 -19 30 6  o 66.68336 11.96011 53.67874       15.62240  51.95103       
33.32867  54.16523       17.68565  54.86849 21.14268 65.36296 13.74179 
-10.49447      25.21606 
1 1 1 -19 30 7  o 44.90759 13.28585 25.38520       12.98415  32.66395       
16.00753  11.38550       22.20011  49.89883 14.74876 37.54007 16.13675 
12.35876       21.86139 
1 1 1 -19 30 8  o 26.37703 11.66641 -0.2413618     12.33843  7.156695       
14.89919  -16.38861      22.01167  32.19066 13.50049 28.70109 13.67213 
3.489573       19.21433 
1 1 1 -19 30 9  o 118.5643 7.024690 150.6917       16.86135  156.8853       
20.49583  137.7226       29.65852  119.5956 8.482529 105.5276 14.17957 
14.06807       16.52312 
1 1 1 -19 30 10 o 54.30945 12.97117 36.26096       14.12841  35.73410       
16.68149  37.59793       26.57361  52.48014 14.92319 51.01694 19.05469 
1.463203       24.20295 
1 1 1 -19 30 11 o 110.7281 7.580265 132.6144       16.96574  130.8683       
20.05427  137.0100       31.81894  108.5102 9.174317 103.3697 15.62456 
5.140457       18.11891 
1 1 1 -19 30 12 o 28.86143 12.44618 3.044877       13.29053  2.807793       
17.35019  3.381543       20.67532  31.63088 13.91947 33.84834 15.02992 
-2.217455      20.48536 
1 1 1 -19 30 13 o 53.44165 15.73972 38.60364       18.25959  90.31020       
36.58281  21.44789       21.07215  72.78476 22.46577 41.91137 16.61416 
30.87339       27.94174 
1 1 1 -19 30 14 o 77.60639 9.781109 68.81150       15.09321  89.49612       
20.93978  46.44439       21.77475  86.03026 12.32117 56.68679 17.30471 
29.34347       21.24298 
1 1 1 -19 30 15 o 87.66920 10.20270 89.05556       17.84900  105.7728       
21.79346  54.99556       31.10756  93.93060 11.66033 56.17353 20.68621 
37.75707       23.74621 
1 1 1 -19 30 16 o 39.97228 14.79491 20.92035       15.94895  18.88151       
23.94756  22.54552       21.38054  39.85278 16.93479 41.18583 16.59651 
-1.333046      23.71142 
1 1 1 -19 31 3  o 29.86872 12.29974 8.629082       12.04951  0.000000       
0.000000  8.629082       12.04951  ?        ?        29.86872 12.29974 
0.000000       12.29974 
1 1 1 -19 31 4  o 47.39762 12.09836 28.95572       11.70047  -10.46597      
32.34320  34.89168       12.55050  33.31094 16.05241 52.24057 12.05864 
-18.92963      20.07712 
1 1 1 -19 31 5  o 67.56570 9.249187 52.68307       12.37446  74.50321       
31.54916  48.71587       13.45243  63.79773 20.99573 63.64811 10.77825 
0.1496124      23.60067 
1 1 1 -19 31 6  o 28.17108 11.69518 5.739438       11.01740  3.341002       
13.98576  9.662040       17.88583  28.90117 12.61279 34.08553 14.56321 
-5.184359      19.26576 
1 1 1 -19 31 7  o 49.87540 15.80513 34.84093       17.98221  0.000000       
0.000000  34.84093       17.98221  ?        ?        49.87540 15.80513 
0.000000       15.80513 
1 1 1 -19 31 8  o 63.16337 9.703127 45.84813       12.06453  50.74446       
15.95981  39.31956       18.42898  64.02429 12.70673 53.28576 15.84289 
10.73853       20.30906 
1 1 1 -19 31 9  o 47.23435 15.26289 30.06377       16.70726  39.01849       
33.37195  27.06870       19.30010  49.52432 20.44014 44.67099 16.31756 
4.853329       26.15459 
1 1 1 -19 31 10 o 32.02094 13.76060 6.023420       16.13567  44.80343       
36.21980  -3.578692      18.02294  51.51478 21.28069 29.30930 13.42130 
22.20548       25.15947 
1 1 1 -19 31 11 o 34.44433 14.49669 9.786997       17.27773  13.79592       
34.67285  8.462706       19.92816  41.62056 18.88752 35.05230 15.17789 
6.568260       24.23028 
1 1 1 -19 31 12 o 39.61163 15.23437 19.28661       17.27883  30.98425       
31.90562  14.43205       20.55384  46.29674 19.60370 37.80727 15.85644 
8.489471       25.21373 
1 1 1 -19 31 13 o 43.71754 15.54110 25.94440       17.36554  0.3801673      
37.35506  32.99224       19.61377  38.65562 18.23485 47.98077 16.55650 
-9.325157      24.62981 
1 1 1 -19 31 14 o 41.04406 14.30683 22.17506       14.66355  15.51066       
20.57564  29.05322       20.90303  37.77598 15.85519 44.85898 16.87123 
-7.083004      23.15223 
1 1 1 -19 31 15 o 40.14103 15.14560 21.53676       16.87475  21.05025       
26.55688  21.86621       21.85376  40.77626 17.58891 40.58565 16.62117 
0.1906090      24.19986 
1 1 1 -19 31 16 o 46.47381 15.60555 31.58764       17.40823  30.60991       
28.38183  32.17731       22.04118  43.86774 18.52757 45.36270 17.26288 
-1.494957      25.32347 
1 1 1 -19 32 3  o 38.19030 13.25328 20.56252       12.57675  0.000000       
0.000000  20.56252       12.57675  ?        ?        38.19030 13.25328 
0.000000       13.25328 
1 1 1 -19 32 4  o 37.87232 12.93572 19.44316       11.96329  0.000000       
0.000000  19.44316       11.96329  ?        ?        37.87232 12.93572 
0.000000       12.93572 
1 1 1 -19 32 5  o 21.05248 9.931214 -7.839956      11.08136  -22.93591      
28.72404  -5.200345      12.01117  29.45072 14.40344 22.98365 10.67754 
6.467070       17.92955 
1 1 1 -19 32 6  o 20.82163 9.710580 -5.970393      10.08872  -2.041267      
13.02503  -11.86284      15.95067  25.34065 11.52914 24.36487 11.61535 
0.9757805      16.36574 
1 1 1 -19 32 7  o 33.21687 12.20431 12.95281       10.81875  7.355691       
13.70937  22.19263       17.61436  30.60062 12.89790 40.40948 15.41928 
-9.808861      20.10249 
1 1 1 -19 32 8  o 40.23004 12.14104 20.47186       10.76348  5.107850       
13.64157  45.81299       17.51964  29.47629 12.65936 57.92540 14.81441 
-28.44911      19.48656 
1 1 1 -19 32 9  o 53.56394 11.45047 35.12762       12.09433  30.27799       
15.63146  42.36092       19.09033  47.00990 14.71428 54.28616 16.12108 
-7.276257      21.82657 
1 1 1 -19 32 10 o 38.90059 12.94930 19.20227       11.98847  32.04392       
15.61029  0.7380262      18.71829  48.49451 14.61814 30.82584 13.94387 
17.66867       20.20202 
1 1 1 -19 32 11 o 21.71667 10.27924 -9.718077      12.05583  1.246583       
16.09439  -23.73596      18.19776  29.36613 13.13518 23.56623 11.51260 
5.799910       17.46633 
1 1 1 -19 32 12 o 25.73941 11.57513 -1.038231      12.68119  -5.920159      
16.75583  5.507043       19.40145  27.09911 12.59673 32.86684 14.57846 
-5.767736      19.26679 
1 1 1 -19 32 13 o 94.11421 7.912197 98.54888       15.00221  108.8131       
19.99098  85.31590       22.69868  96.03331 10.40303 80.15573 14.45753 
15.87758       17.81133 
1 1 1 -19 32 14 o 80.84811 12.93079 83.49998       20.54275  38.45475       
47.16297  94.04697       22.82134  45.60753 21.17805 84.85424 13.69169 
-39.24671      25.21849 
1 1 1 -19 32 15 o 53.99150 14.31260 40.45323       15.96869  39.92766       
23.35634  40.91455       21.88198  48.79296 17.93121 50.09540 17.47616 
-1.302433      25.03886 
1 1 1 -19 33 4  o 41.28994 13.28804 24.46384       12.67323  0.000000       
0.000000  24.46384       12.67323  ?        ?        41.28994 13.28804 
0.000000       13.28804 
1 1 1 -19 33 5  o 56.32754 11.57120 40.74739       12.81068  0.000000       
0.000000  40.74739       12.81068  ?        ?        56.32754 11.57120 
0.000000       11.57120 
1 1 1 -19 33 6  o 34.54485 13.97841 14.61501       15.23535  -20.40277      
33.37095  23.83582       17.12414  31.38812 15.38750 40.22819 15.23818 
-8.840073      21.65588 
1 1 1 -19 33 7  o 55.65567 10.08166 37.28431       10.99008  45.91450       
13.86913  22.72018       18.01695  60.30485 11.73184 39.83215 15.48985 
20.47271       19.43120 
1 1 1 -19 33 8  o 32.16378 11.90716 12.17573       10.33159  5.864752       
13.07042  22.68599       16.86740  29.10227 12.44212 40.16960 15.14569 
-11.06734      19.60097 
1 1 1 -19 33 9  o 34.25467 12.45629 14.38916       11.22849  14.04075       
14.18692  14.97338       18.37089  34.55365 13.65289 36.08174 15.05076 
-1.528091      20.32060 
1 1 1 -19 33 10 o 20.68894 9.854092 -10.21875      11.42617  2.770333       
14.57856  -30.90532      18.39795  28.61594 12.66777 22.07541 10.93516 
6.540535       16.73469 
1 1 1 -19 33 11 o 53.81669 11.90050 36.61292       12.67788  31.64997       
16.61203  43.53544       19.61936  46.74078 15.22811 53.59184 16.43745 
-6.851063      22.40726 
1 1 1 -19 33 12 o 58.88315 11.46550 43.13079       13.23510  41.92149       
17.49611  44.74847       20.23589  53.90631 15.26740 53.79702 16.72591 
0.1092834      22.64618 
1 1 1 -19 33 13 o 36.00896 13.69766 16.61138       13.87360  18.91500       
20.01428  14.48065       19.24859  38.00003 15.76824 35.76682 15.19025 
2.233204       21.89477 
1 1 1 -19 33 14 o 52.06767 16.88097 43.53913       20.42456  0.000000       
0.000000  43.53913       20.42456  ?        ?        52.06767 16.88097 
0.000000       16.88097 
1 1 1 -19 34 5  o 28.79559 12.15499 7.910639       12.20446  0.000000       
0.000000  7.910639       12.20446  ?        ?        28.79559 12.15499 
0.000000       12.15499 
1 1 1 -19 34 6  o 25.58796 11.45920 1.356742       12.28915  0.000000       
0.000000  1.356742       12.28915  ?        ?        25.58796 11.45920 
0.000000       11.45920 
1 1 1 -19 34 7  o 43.62496 12.49031 25.86602       11.64485  35.78866       
15.67471  13.64431       17.39610  49.09540 14.61433 34.04881 14.44966 
15.04660       20.55167 
1 1 1 -19 34 8  o 34.34034 12.08335 15.20372       10.47204  5.336730       
13.09195  32.73090       17.44889  28.38043 12.29551 45.82402 15.62259 
-17.44359      19.88077 
1 1 1 -19 34 9  o 48.22485 11.20804 29.52141       10.78235  35.26310       
13.74887  20.34866       17.37790  50.84193 13.18659 38.01406 15.08184 
12.82787       20.03367 
1 1 1 -19 34 10 o 25.84472 11.24242 2.981804       11.03419  -7.303998      
13.74319  21.63935       18.50955  23.62557 11.11902 38.79429 15.50914 
-15.16873      19.08314 
1 1 1 -19 34 11 o 22.77928 10.55972 -4.539672      11.65237  -11.94143      
14.99824  6.730919       18.50743  23.23478 11.12732 31.77345 14.15776 
-8.538673      18.00720 
1 1 1 -19 34 12 o 86.03375 8.659826 85.54646       14.94468  89.05448       
21.02088  81.96122       21.25094  82.08752 13.02798 77.33329 14.02995 
4.754227       19.14596 
1 1 1 -19 34 13 o 57.82066 12.96930 45.01176       14.87365  57.99657       
20.76340  31.32591       21.31653  61.03469 16.38496 43.26724 16.84224 
17.76745       23.49741 
1 1 1 -19 35 7  o 48.98516 11.46032 31.69492       11.21306  13.16636       
14.58969  58.43364       17.52652  32.51133 13.47446 63.80815 13.90054 
-31.29682      19.35939 
1 1 1 -19 35 8  o 30.52796 11.98353 11.10879       10.86303  15.43437       
13.95294  4.451936       17.30924  33.99670 13.50587 29.57763 13.39134 
4.419071       19.01937 
1 1 1 -19 35 9  o 54.99197 11.48263 39.24805       12.42629  41.72728       
16.31143  35.81926       19.18246  52.72684 14.67446 45.93547 16.33343 
6.791370       21.95725 
1 1 1 -19 35 10 o 40.02849 13.29064 22.89399       12.63177  25.49318       
17.44429  20.02868       18.31560  40.22399 15.34558 37.00340 15.19239 
3.220589       21.59387 
1 1 1 -19 35 11 o 64.15430 10.47829 51.14442       13.19798  62.49424       
17.80207  37.29289       19.66639  67.19875 13.49607 46.69790 16.54526 
20.50085       21.35157 
1 1 1 -18 0  1  o 104.5954 13.71623 119.3431       27.78391  119.3431       
27.78391  119.3431       27.78391  104.5954 13.71623 104.5954 13.71623 
0.000000       0.000000 
1 1 1 -18 0  2  f 34.78862 18.27613 18.67711       17.11094  18.67711       
17.11094  18.67711       17.11094  34.78862 18.27613 34.78862 18.27613 
0.000000       0.000000 
1 1 1 -18 0  3  o 174.6471 6.976015 313.3483       24.68557  313.3483       
24.68557  313.3483       24.68557  174.6471 6.976015 174.6471 6.976015 
0.000000       0.000000 
1 1 1 -18 0  4  o 24.67147 15.61547 2.910116       16.84480  2.910116       
16.84480  2.910116       16.84480  24.67147 15.61547 24.67147 15.61547 
0.000000       0.000000 
1 1 1 -18 0  5  o 118.9473 8.200996 146.8827       19.62032  146.8827       
19.62032  146.8827       19.62032  118.9473 8.200996 118.9473 8.200996 
0.000000       0.000000 
1 1 1 -18 0  6  o 132.2599 7.893204 180.8426       21.05604  180.8426       
21.05604  180.8426       21.05604  132.2599 7.893204 132.2599 7.893204 
0.000000       0.000000 
1 1 1 -18 0  7  o 18.26594 12.57438 -10.93253      15.39376  -10.93253      
15.39376  -10.93253      15.39376  18.26594 12.57438 18.26594 12.57438 
0.000000       0.000000 
1 1 1 -18 0  8  f 95.89647 9.570182 97.05106       18.23632  97.05106       
18.23632  97.05106       18.23632  95.89647 9.570182 95.89647 9.570182 
0.000000       0.000000 
1 1 1 -18 0  9  o 118.7643 8.500235 146.5750       20.28740  146.5750       
20.28740  146.5750       20.28740  118.7643 8.500235 118.7643 8.500235 
0.000000       0.000000 
1 1 1 -18 0  10 f 67.36509 14.76079 53.00658       17.70321  53.00658       
17.70321  53.00658       17.70321  67.36509 14.76079 67.36509 14.76079 
0.000000       0.000000 
1 1 1 -18 0  11 o 32.67241 17.93325 15.75834       17.14614  15.75834       
17.14614  15.75834       17.14614  32.67241 17.93325 32.67241 17.93325 
0.000000       0.000000 
1 1 1 -18 0  12 o 130.7566 8.398574 177.2213       22.12037  177.2213       
22.12037  177.2213       22.12037  130.7566 8.398574 130.7566 8.398574 
0.000000       0.000000 
1 1 1 -18 0  13 o 180.1240 7.239619 333.3377       26.42053  333.3377       
26.42053  333.3377       26.42053  180.1240 7.239619 180.1240 7.239619 
0.000000       0.000000 
1 1 1 -18 0  14 o 222.8830 6.894641 509.2805       31.18158  509.2805       
31.18158  509.2805       31.18158  222.8830 6.894641 222.8830 6.894641 
0.000000       0.000000 
1 1 1 -18 0  15 o 300.9381 9.934183 934.8253       60.64390  934.8253       
60.64390  934.8253       60.64390  300.9381 9.934183 300.9381 9.934183 
0.000000       0.000000 
1 1 1 -18 0  16 f 23.93088 15.80045 -3.343681      19.87420  -3.343681      
19.87420  -3.343681      19.87420  23.93088 15.80045 23.93088 15.80045 
0.000000       0.000000 
1 1 1 -18 0  17 o 270.8761 7.072689 752.7294       38.89886  752.7294       
38.89886  752.7294       38.89886  270.8761 7.072689 270.8761 7.072689 
0.000000       0.000000 
1 1 1 -18 0  18 o 43.82002 23.61689 30.85512       29.20259  30.85512       
29.20259  30.85512       29.20259  43.82002 23.61689 43.82002 23.61689 
0.000000       0.000000 
1 1 1 -18 0  19 o 102.5088 13.28548 115.1106       26.41134  115.1106       
26.41134  115.1106       26.41134  102.5088 13.28548 102.5088 13.28548 
0.000000       0.000000 
1 1 1 -18 0  20 o 28.12791 18.17940 2.177834       24.34857  2.177834       
24.34857  2.177834       24.34857  28.12791 18.17940 28.12791 18.17940 
-0.000000      0.000000 
1 1 1 -18 0  21 o 35.42361 20.55900 19.20482       24.25176  19.20482       
24.25176  19.20482       24.25176  35.42361 20.55900 35.42361 20.55900 
0.000000       0.000000 
1 1 1 -18 0  22 o 53.24875 22.67092 46.19625       24.96604  46.19625       
24.96604  46.19625       24.96604  53.24875 22.67092 53.24875 22.67092 
-0.000000      0.000000 
1 1 1 -18 0  23 f 91.02311 16.10131 100.0440       27.02072  100.0440       
27.02072  100.0440       27.02072  91.02311 16.10131 91.02311 16.10131 
-0.000000      0.000000 
1 1 1 -18 0  24 o 90.29235 27.13459 130.6348       43.42303  130.6348       
43.42303  130.6348       43.42303  90.29235 27.13459 90.29235 27.13459 
-0.000000      0.000000 
1 1 1 -18 1  1  f 203.2611 5.550141 423.4752       22.94087  468.3960       
39.87434  401.2494       28.04774  212.2684 9.237550 197.3927 6.987397 
14.87567       11.58257 
1 1 1 -18 1  2  o 187.8164 5.496938 361.3681       20.99451  358.1315       
25.79321  367.7220       36.13960  186.6044 6.797231 187.8499 9.491406 
-1.245422      11.67429 
1 1 1 -18 1  3  o 53.66119 15.37088 31.74746       17.63172  31.74746       
17.63172  0.000000       0.000000  53.66119 15.37088 ?        ?        
0.000000       15.37088 
1 1 1 -18 1  4  o 110.0716 6.145263 124.6115       13.70029  137.5092       
19.27880  111.4528       19.47294  115.1229 8.290565 103.2829 9.373634 
11.84000       12.51393 
1 1 1 -18 1  5  o 105.4595 6.247033 114.4168       13.33740  101.5381       
18.66647  127.8495       19.06367  98.57309 9.427163 110.9647 8.513226 
-12.39159      12.70222 
1 1 1 -18 1  6  o 190.4723 4.600988 370.4854       17.82109  354.9234       
24.79216  387.1229       25.63461  186.0148 6.554138 194.2864 6.488328 
-8.271667      9.222534 
1 1 1 -18 1  7  f 87.66064 7.089574 79.41216       12.52974  69.94016       
17.46275  89.46299       17.98841  81.33201 10.82746 92.45927 9.712474 
-11.12727      14.54531 
1 1 1 -18 1  8  o 137.5275 5.317718 193.3651       14.87189  202.8246       
21.10001  184.0265       20.96471  140.2991 7.422053 133.5388 7.753606 
6.760284       10.73337 
1 1 1 -18 1  9  o 42.01781 12.71702 18.68730       11.79656  23.50103       
16.71991  13.91602       16.64603  47.42258 15.26292 40.55684 15.09422 
6.865746       21.46607 
1 1 1 -18 1  10 o 151.0543 5.199775 233.1921       15.97236  251.4209       
22.85321  215.7845       22.33246  156.4847 7.181644 144.6901 7.616906 
11.79459       10.46868 
1 1 1 -18 1  11 f 91.95850 7.310376 87.38753       13.55763  105.7123       
19.32865  69.63992       19.02180  100.6636 9.556891 80.87740 11.92342 
19.78616       15.28078 
1 1 1 -18 1  12 o 58.92238 11.31931 37.30847       13.06997  34.26499       
18.51226  40.33327       18.45534  55.89836 15.66013 60.52143 15.05693 
-4.623070      21.72443 
1 1 1 -18 1  13 o 97.24520 7.269027 97.67419       14.27066  97.26083       
20.08380  98.09570       20.28115  96.25481 10.42730 96.65443 10.48680 
-0.3996277     14.78856 
1 1 1 -18 1  14 o 282.3989 5.442054 815.6922       31.25196  787.9955       
37.39868  879.7975       56.89703  277.1641 6.635412 291.4698 9.599413 
-14.30569      11.66951 
1 1 1 -18 1  15 o 166.2370 8.238516 284.9076       27.85019  270.7879       
38.36295  300.6408       40.49576  160.4960 11.83784 169.1486 11.84787 
-8.652603      16.74833 
1 1 1 -18 1  16 o 219.7788 5.115099 493.8334       22.86079  506.4950       
32.83369  481.9199       31.84888  221.9572 7.274429 216.5190 7.233471 
5.438248       10.25868 
1 1 1 -18 1  17 f 74.02017 10.54073 58.09192       15.41797  88.69337       
22.78571  32.24808       20.93969  91.06668 12.64543 54.53397 17.02402 
36.53271       21.20670 
1 1 1 -18 1  18 o 165.4014 7.066991 281.2963       23.76978  303.8353       
30.51239  246.5028       37.91042  171.1645 8.795917 152.6699 12.31587 
18.49463       15.13436 
1 1 1 -18 1  19 o 169.4905 6.294729 294.9224       21.69571  306.1188       
31.09011  284.2946       30.29025  171.6225 8.939255 165.3338 9.043550 
6.288742       12.71598 
1 1 1 -18 1  20 o 85.50463 10.92007 77.90417       18.55380  77.60509       
25.77387  78.22585       26.73033  83.39363 15.77617 83.48737 16.32960 
-0.9374237E-01 22.70558 
1 1 1 -18 1  21 o 36.89784 14.88663 8.229114       17.22455  -1.426412      
24.35691  17.88827       24.36148  37.83342 16.57422 46.24799 18.00433 
-8.414570      24.47163 
1 1 1 -18 1  22 o 105.5368 9.062234 117.7416       19.26005  143.2637       
27.28247  92.38587       27.19339  115.0136 11.83382 90.22474 15.37238 
24.78889       19.39973 
1 1 1 -18 1  23 o 32.27270 14.15796 -0.8313616     17.82792  19.85933       
24.84020  -22.81064      25.60202  46.13014 18.11700 31.62444 14.97201 
14.50570       23.50291 
1 1 1 -18 1  24 o 63.28013 19.59337 52.12665       27.80143  38.20523       
38.61968  67.10122       40.05384  56.23682 22.42903 68.50272 23.65849 
-12.26590      32.60040 
1 1 1 -18 2  1  o 99.42184 6.975957 102.2710       14.01452  102.7944       
19.58695  101.7220       20.06059  98.83279 9.878033 98.20403 10.19382 
0.6287613      14.19470 
1 1 1 -18 2  2  o 113.2393 7.103098 132.5255       16.27391  128.5664       
20.21594  139.8148       27.43089  110.9747 9.036629 114.6852 11.93692 
-3.710457      14.97167 
1 1 1 -18 2  3  o 23.52836 10.87333 -9.358004      12.21520  9.693027       
16.56975  -32.03636      18.07850  37.63753 14.79193 23.59494 11.51525 
14.04259       18.74573 
1 1 1 -18 2  4  o 100.1915 6.835242 103.6058       13.84318  123.7799       
19.38335  82.60384       19.77700  109.0453 8.816618 88.22304 11.28209 
20.82230       14.31846 
1 1 1 -18 2  5  o 114.7687 5.899508 135.2781       13.72207  113.7548       
19.24482  157.5375       19.57118  104.4570 9.152239 123.4221 7.838465 
-18.96507      12.05010 
1 1 1 -18 2  6  o 129.2511 5.443315 170.8986       14.30701  208.2140       
20.59066  136.0667       19.89367  142.3600 7.112644 114.5009 8.606841 
27.85910       11.16546 
1 1 1 -18 2  7  o 29.19424 11.92730 3.563913       11.21964  -10.54996      
15.91816  17.49769       15.81628  27.41245 12.57495 42.55132 14.85705 
-15.13886      19.46436 
1 1 1 -18 2  8  o 129.2256 5.489773 170.7902       14.42628  167.5332       
20.08561  174.2607       20.73350  127.3812 7.791503 129.8993 7.886326 
-2.518051      11.08610 
1 1 1 -18 2  9  o 127.3340 5.664196 165.8738       14.66676  170.9345       
20.67786  160.7498       20.80659  128.6459 7.943061 124.6619 8.254302 
3.984062       11.45538 
1 1 1 -18 2  10 o 58.75352 10.73246 36.92044       12.35033  25.85152       
17.01250  49.25367       17.95784  49.29292 15.33774 67.31310 13.58735 
-18.02018      20.49054 
1 1 1 -18 2  11 o 56.64443 11.38406 34.55415       12.65819  37.43318       
18.02518  31.75286       17.78011  58.33713 15.08312 53.94402 15.43017 
4.393116       21.57755 
1 1 1 -18 2  12 o 35.87383 13.23305 10.95136       12.73787  7.097446       
17.50635  15.28721       18.56870  37.03340 14.98452 42.57001 15.92263 
-5.536610      21.86472 
1 1 1 -18 2  13 o 126.2416 7.178829 164.2009       18.35310  149.8628       
21.93269  197.6916       33.52038  120.1153 9.045698 136.9629 12.16176 
-16.84763      15.15695 
1 1 1 -18 2  14 o 275.2007 5.456731 774.6810       30.53750  784.4172       
37.12066  754.2963       53.71209  276.5422 6.600894 269.7732 9.790884 
6.769012       11.80818 
1 1 1 -18 2  15 o 99.55948 9.029613 103.2741       18.08226  102.6371       
21.67185  104.7336       32.80464  98.68590 10.98559 97.36571 17.19715 
1.320190       20.40650 
1 1 1 -18 2  16 o 46.37793 17.51113 18.24568       22.56765  19.79305       
31.79123  16.67387       32.04119  51.71312 20.43627 50.52161 20.33167 
1.191513       28.82738 
1 1 1 -18 2  17 o 50.68325 17.00249 26.66495       20.66415  14.77729       
26.55779  44.90411       32.89622  46.74016 18.61272 64.11344 21.45271 
-17.37328      28.40162 
1 1 1 -18 2  18 o 145.9743 9.313622 221.7517       27.50272  221.7517       
27.50272  0.000000       0.000000  145.9743 9.313622 ?        ?        
0.000000       9.313622 
1 1 1 -18 2  19 o 161.0081 6.500833 266.3251       21.28473  263.7671       
29.01837  269.3041       31.31496  159.2462 8.997749 160.6539 9.629795 
-1.407730      13.17924 
1 1 1 -18 2  20 f 26.36873 12.38849 -16.31182      16.93282  -5.040830      
23.07530  -29.46191      24.92474  35.78436 15.88448 30.35924 14.48592 
5.425121       21.49788 
1 1 1 -18 2  21 f 65.18455 13.65506 47.32368       17.52079  20.77076       
23.47576  80.71186       26.32449  47.34295 17.86371 84.55912 15.89250 
-37.21618      23.90991 
1 1 1 -18 2  22 o 123.4936 7.916043 159.5817       19.77474  186.5688       
28.03079  132.8437       27.90107  132.1804 10.51532 110.2027 12.68146 
21.97769       16.47396 
1 1 1 -18 2  23 o 110.6447 9.046068 130.3755       20.17562  144.9289       
28.24461  115.2129       28.82966  114.5652 12.31706 100.5170 14.52555 
14.04816       19.04472 
1 1 1 -18 2  24 o 104.3444 12.02183 121.6803       25.04238  161.7512       
43.53118  101.8597       30.61563  112.7405 19.70491 91.36452 17.10709 
21.37598       26.09475 
1 1 1 -18 3  1  o 112.2674 6.354502 129.9226       14.44778  134.0040       
20.08962  125.5504       20.79303  113.3298 8.785848 109.4630 9.433238 
3.866776       12.89097 
1 1 1 -18 3  2  o 123.3331 6.924188 157.0009       17.29576  150.5284       
21.08475  170.3151       30.24063  120.2443 8.681247 126.6993 11.87578 
-6.455063      14.71048 
1 1 1 -18 3  3  o 86.98634 8.665367 79.04456       15.12412  67.76438       
18.85673  99.38735       25.32291  79.47053 12.04594 96.05793 13.32237 
-16.58740      17.96080 
1 1 1 -18 3  4  f 43.42669 12.82006 20.26009       12.10119  7.468492       
17.22408  32.72887       17.00535  36.88210 14.88426 54.47063 14.91491 
-17.58854      21.07121 
1 1 1 -18 3  5  o 115.0251 5.915565 135.8961       13.79011  137.3645       
19.75992  134.5019       19.25423  115.0334 8.507488 113.8587 8.374666 
1.174721       11.93786 
1 1 1 -18 3  6  o 247.8781 4.395982 627.2486       22.15876  691.4863       
32.18386  569.3522       30.55406  259.7834 6.092218 235.6413 6.376262 
24.14209       8.818834 
1 1 1 -18 3  7  o 134.6727 5.409772 185.4939       14.81529  191.5301       
20.60713  179.0361       21.31474  136.2896 7.463749 131.6181 8.001637 
4.671555       10.94229 
1 1 1 -18 3  8  o 171.2728 5.491545 300.0282       19.12645  301.8436       
23.53279  296.4952       32.82933  171.5333 6.746424 168.9871 9.592925 
2.546204       11.72768 
1 1 1 -18 3  9  o 90.32349 8.283931 84.72706       15.04605  81.84407       
17.94126  91.56084       27.62246  88.29002 10.17933 91.75684 15.34571 
-3.466812      18.41493 
1 1 1 -18 3  10 o 230.5585 5.217568 543.3133       24.46249  529.1510       
29.63146  573.6230       43.34882  227.2319 6.412571 235.6753 9.045068 
-8.443359      11.08757 
1 1 1 -18 3  11 o 95.15539 7.385113 93.57247       14.17837  98.90406       
19.53910  87.64281       20.60590  97.20331 10.02899 91.06159 11.37586 
6.141716       15.16545 
1 1 1 -18 3  12 o 158.6252 5.364246 257.2745       17.30343  292.6345       
24.70055  223.2005       24.24724  168.7989 7.195910 146.9972 8.143309 
21.80168       10.86713 
1 1 1 -18 3  13 o 124.1137 7.096282 158.6909       17.83593  145.6414       
21.45405  187.8932       32.09391  118.4157 8.976152 133.5748 11.94127 
-15.15908      14.93872 
1 1 1 -18 3  14 f 108.4057 8.025893 121.6859       17.56708  110.0168       
21.32717  146.3096       30.98072  102.4148 10.38402 117.2307 13.22691 
-14.81593      16.81603 
1 1 1 -18 3  15 o 185.7138 5.394223 352.8000       20.37157  365.7499       
28.99334  340.1729       28.62962  188.5454 7.561900 181.7811 7.744892 
6.764252       10.82431 
1 1 1 -18 3  16 o 333.0936 5.748853 1136.040       38.94027  1148.203       
68.85701  1130.321       47.21565  332.4008 10.18673 331.6964 6.999933 
0.7044983      12.35995 
1 1 1 -18 3  17 o 145.1580 7.200455 216.6558       21.25457  280.3772       
35.72898  181.7547       26.44221  163.6688 10.79566 131.9449 9.927692 
31.72394       14.66647 
1 1 1 -18 3  18 o 93.14519 9.203764 90.73727       17.20517  107.6009       
24.22222  73.56497       24.44287  100.5638 12.08671 81.78064 15.25899 
18.78312       19.46601 
1 1 1 -18 3  19 o 150.1338 6.662670 231.7061       20.34127  251.4567       
27.93932  209.4290       29.67266  155.5106 8.871729 141.2820 10.40119 
14.22858       13.67086 
1 1 1 -18 3  20 o 49.55249 15.42252 26.80226       17.19984  23.87833       
23.52805  30.15842       25.20716  49.45962 18.02407 53.61222 18.75401 
-4.152599      26.01115 
1 1 1 -18 3  21 o 70.84583 12.58987 55.06871       17.47336  73.29845       
24.70467  36.82006       24.71747  80.58510 15.63961 57.04895 18.57479 
23.53614       24.28210 
1 1 1 -18 3  22 o 78.97855 11.53821 68.00921       17.98430  90.78562       
25.14388  44.15176       25.73365  90.03609 14.20386 60.91211 18.84908 
29.12397       23.60164 
1 1 1 -18 3  23 o 95.48682 14.94951 104.8583       28.07588  104.8583       
28.07588  0.000000       0.000000  95.48682 14.94951 ?        ?        
0.000000       14.94951 
1 1 1 -18 3  24 o 92.29614 10.49039 93.45268       19.33935  83.01822       
27.40784  103.7995       27.29246  82.36909 16.92875 94.20837 14.72855 
-11.83928      22.43909 
1 1 1 -18 4  1  o 45.65544 13.03588 22.74513       12.70208  12.80175       
17.38910  34.12000       18.59874  39.96291 15.30335 55.31882 15.76686 
-15.35591      21.97240 
1 1 1 -18 4  2  o 190.2214 4.784317 370.0458       18.50678  381.5203       
26.12377  358.4852       26.22157  192.6242 6.669197 186.6425 6.908705 
5.981705       9.602521 
1 1 1 -18 4  3  o 175.0780 5.567914 313.9915       19.82327  311.6462       
24.59775  318.3370       33.48215  174.0632 6.949237 174.8306 9.452814 
-0.7674561     11.73233 
1 1 1 -18 4  4  o 164.6413 5.735534 277.6914       19.20278  243.2067       
23.26649  351.3728       34.00917  153.6862 7.444653 184.1644 9.081113 
-30.47815      11.74263 
1 1 1 -18 4  5  o 153.2781 5.799129 240.6391       18.07566  226.0537       
22.31349  268.4810       30.82887  148.2197 7.403040 160.6618 9.478099 
-12.44206      12.02661 
1 1 1 -18 4  6  o 76.44081 8.489421 61.01559       12.97348  63.67021       
17.44700  57.73236       19.40303  77.31335 11.44285 72.89759 13.58889 
4.415756       17.76504 
1 1 1 -18 4  7  o 27.13011 11.66357 -0.4304044     11.60087  13.34196       
15.97755  -15.78629      16.87110  39.70715 14.78605 26.63595 12.46653 
13.07120       19.34015 
1 1 1 -18 4  8  o 165.9905 4.887084 281.4753       16.49622  263.4953       
22.89459  300.8884       23.78951  160.1987 7.027848 171.2345 6.831921 
-11.03577      9.801315 
1 1 1 -18 4  9  o 35.89295 12.88013 11.65631       11.95465  20.19077       
16.79463  2.890769       17.02048  44.96746 15.32692 34.38966 14.42651 
10.57780       21.04848 
1 1 1 -18 4  10 o 71.47285 8.964684 53.53331       12.74284  27.46707       
17.39761  83.70241       18.71680  50.58730 15.47260 89.20174 10.52069 
-38.61444      18.71059 
1 1 1 -18 4  11 o 69.77902 9.508903 51.25275       13.14160  43.34467       
18.37631  59.53060       18.80104  62.80424 14.65611 74.35179 12.90270 
-11.54755      19.52642 
1 1 1 -18 4  12 o 103.5032 6.968198 110.4491       14.58110  92.38164       
20.13931  130.3539       21.13855  93.68348 10.76707 111.8901 9.376812 
-18.20660      14.27776 
1 1 1 -18 4  13 o 96.30731 8.403819 96.33415       16.29350  90.27695       
19.57291  110.0057       29.40546  92.63408 10.58022 100.9143 14.76616 
-8.280228      18.16536 
1 1 1 -18 4  14 o 288.4822 4.770465 850.1169       27.98538  893.1724       
39.54611  806.9253       39.60858  295.0762 6.590496 280.3302 6.948130 
14.74597       9.576594 
1 1 1 -18 4  15 o 33.46160 13.23018 6.975566       13.33024  3.341012       
18.23625  11.14592       19.53423  35.60680 14.93477 40.67052 16.03622 
-5.063721      21.91364 
1 1 1 -18 4  16 o 200.2766 6.466970 411.4847       26.33798  317.1360       
48.40638  451.1628       31.39138  172.5793 13.91127 209.4326 7.370800 
-36.85332      15.74332 
1 1 1 -18 4  17 o 71.09395 12.73229 54.65208       17.73133  40.33202       
29.70312  62.58027       22.10125  61.04779 20.38519 75.46506 14.93061 
-14.41727      25.26814 
1 1 1 -18 4  18 o 77.84885 10.54379 64.24689       16.26220  41.52695       
22.35489  89.78430       23.70050  60.93274 17.25767 91.35559 13.13542 
-30.42285      21.68793 
1 1 1 -18 4  19 o 127.9267 8.273170 169.9215       21.40685  170.2410       
26.61906  169.3368       36.01609  127.2999 10.37304 125.1347 14.41728 
2.165283       17.76113 
1 1 1 -18 4  20 o 71.53519 12.34752 55.63193       17.31267  80.84290       
23.81594  27.38045       25.21121  85.81039 14.14091 51.99668 18.69978 
33.81371       23.44455 
1 1 1 -18 4  21 o 106.7234 8.915264 119.6694       19.17123  151.6964       
27.79154  90.59305       26.48039  118.9671 11.63673 90.10677 14.97737 
28.86036       18.96668 
1 1 1 -18 4  22 o 91.44279 11.52338 90.84090       20.95213  104.7638       
34.72204  82.86826       26.27489  93.69440 18.87632 85.00254 15.78150 
8.691856       24.60429 
1 1 1 -18 4  23 o 141.2841 10.60042 215.7605       30.23363  191.2357       
39.64360  249.8531       46.74136  128.8353 15.43919 146.9005 15.90060 
-18.06512      22.16298 
1 1 1 -18 4  24 o 65.98992 15.85700 52.89427       21.01417  105.5571       
35.21236  23.76335       26.18908  90.41784 19.70733 47.49385 18.61790 
42.92399       27.11098 
1 1 1 -18 5  1  o 150.8807 5.971427 233.6878       18.32160  206.2032       
22.47232  288.1753       31.64110  141.0305 7.867148 166.1397 9.403996 
-25.10916      12.26080 
1 1 1 -18 5  2  o 157.5381 5.251644 254.1278       16.82412  260.9678       
23.45369  246.8773       24.14726  159.1397 7.247384 154.6582 7.677918 
4.481506       10.55817 
1 1 1 -18 5  3  o 66.29536 9.758595 46.62505       12.76235  60.87503       
17.96619  32.11028       18.13234  75.17914 12.16763 53.92510 15.62876 
21.25404       19.80680 
1 1 1 -18 5  4  o 112.1598 7.076850 129.8875       16.05817  108.7761       
19.12916  180.2659       29.55017  102.0092 9.324707 130.8180 11.21661 
-28.80883      14.58638 
1 1 1 -18 5  5  o 111.1305 6.935770 127.3855       15.59570  118.5622       
19.27500  144.1123       26.53910  106.6815 8.968129 116.9112 11.30401 
-10.22974      14.42942 
1 1 1 -18 5  6  o 147.0692 5.149647 221.1606       15.40106  231.5551       
21.63822  210.4885       21.92539  150.1093 7.088633 142.8179 7.576512 
7.291412       10.37556 
1 1 1 -18 5  7  f 109.8394 6.057683 123.9632       13.47826  122.9970       
18.93801  124.9549       19.18671  108.8298 8.627981 109.6855 8.672750 
-0.8556900     12.23351 
1 1 1 -18 5  8  o 192.7075 4.652843 379.2303       18.23343  374.2531       
25.11991  384.7728       26.50797  191.0540 6.465626 193.6529 6.731333 
-2.598877      9.333550 
1 1 1 -18 5  9  o 86.90854 7.288718 78.13152       12.76250  69.81063       
17.42477  87.76137       18.74529  81.26403 10.81268 91.42175 10.26013 
-10.15771      14.90585 
1 1 1 -18 5  10 o 102.9017 6.526467 108.9896       13.58621  99.13773       
18.54998  120.3897       19.95440  97.45008 9.480772 107.5450 9.213192 
-10.09496      13.21998 
1 1 1 -18 5  11 f 60.81971 11.13445 39.65311       13.26349  35.27054       
17.88365  45.01069       19.77316  56.63261 15.20764 63.84263 15.40688 
-7.210022      21.64820 
1 1 1 -18 5  12 o 26.74666 12.08327 -6.879720      14.00448  -9.987864      
16.90127  -0.7079259E-01 25.01543  28.65649 13.07457 39.54790 17.06491 
-10.89141      21.49780 
1 1 1 -18 5  13 o 116.3074 8.784267 140.4483       20.62288  135.4746       
27.78106  146.5534       30.77914  113.1127 12.27474 117.3745 13.11974 
-4.261780      17.96655 
1 1 1 -18 5  14 o 84.59088 9.753215 75.10564       16.46997  60.02679       
25.85314  85.40539       21.36694  73.16360 17.59281 89.59116 12.03217 
-16.42755      21.31385 
1 1 1 -18 5  15 o 32.79875 13.62254 3.495588       14.95769  -6.171096      
23.87091  9.744730       19.19289  36.34878 16.14451 39.65558 15.81297 
-3.306801      22.59856 
1 1 1 -18 5  16 o 154.1208 6.774014 243.9113       21.23043  220.6624       
34.46401  258.1291       26.95133  144.7118 11.81453 157.9125 8.423331 
-13.20071      14.50985 
1 1 1 -18 5  17 o 113.7133 10.76699 135.9485       24.60106  0.000000       
0.000000  135.9485       24.60106  ?        ?        113.7133 10.76699 
0.000000       10.76699 
1 1 1 -18 5  18 o 97.44341 10.02291 99.76401       19.57765  102.0119       
32.21735  98.44796       24.65120  95.74612 17.17810 95.76651 12.99376 
-0.2038574E-01 21.53892 
1 1 1 -18 5  19 o 150.4523 7.520912 233.4724       23.01022  222.7270       
28.40152  253.9986       39.25408  145.9982 9.620176 154.5061 12.60340 
-8.507965      15.85539 
1 1 1 -18 5  20 o 73.46914 11.93397 58.42000       17.21774  52.75086       
23.25151  65.30264       25.61947  68.00347 16.89023 75.70848 17.05076 
-7.705009      24.00017 
1 1 1 -18 5  21 o 185.1566 5.989806 352.8785       22.55296  376.9656       
32.05980  329.2813       31.73211  190.3161 8.283881 177.6171 8.785428 
12.69907       12.07503 
1 1 1 -18 5  22 o 28.64587 13.05617 -8.184171      16.79862  -18.44501      
22.86761  3.843815       24.75857  30.86277 14.46680 39.56819 17.02559 
-8.705416      22.34186 
1 1 1 -18 5  23 o 43.49662 16.84921 17.84820       21.25389  36.51968       
25.37307  -26.06624      38.91235  55.09518 18.83864 39.23598 18.53990 
15.85920       26.43147 
1 1 1 -18 5  24 o 26.87885 12.66430 -15.14635      17.92007  -27.28931      
25.79497  -3.819005      24.91361  30.27207 14.52266 35.79798 16.14952 
-5.525911      21.71899 
1 1 1 -18 6  1  o 69.62473 10.92896 51.98247       14.96412  30.10301       
24.69743  64.67386       18.80997  53.53706 18.57265 77.31532 12.38169 
-23.77827      22.32151 
1 1 1 -18 6  2  o 225.7699 6.385413 523.7474       29.31612  523.7474       
29.31612  0.000000       0.000000  225.7699 6.385413 ?        ?        
0.000000       6.385413 
1 1 1 -18 6  3  o 89.56627 7.561684 83.27943       13.64380  86.00735       
19.00411  80.37772       19.60018  90.17514 10.56374 86.87109 11.36789 
3.304054       15.51842 
1 1 1 -18 6  4  o 157.6101 5.875486 254.6262       18.83126  240.1944       
22.75184  286.0179       33.55537  152.7377 7.325191 165.4958 10.01785 
-12.75813      12.41031 
1 1 1 -18 6  5  o 38.49226 13.56374 14.06624       13.19976  9.851689       
17.02027  20.42639       20.90858  38.11094 14.98730 46.74897 16.99800 
-8.638031      22.66167 
1 1 1 -18 6  6  o 100.3765 7.129943 104.0716       14.45889  96.95068       
17.70125  118.3484       25.06394  96.37316 9.141637 105.6908 11.86673 
-9.317596      14.97961 
1 1 1 -18 6  7  o 91.31081 7.229700 86.21793       13.31461  95.81871       
18.32198  75.47399       19.38211  95.72327 9.539534 84.25227 11.62215 
11.47101       15.03586 
1 1 1 -18 6  8  o 50.36556 12.97259 27.66540       13.36761  32.11533       
20.40699  24.32085       17.69175  54.43944 16.77526 48.24691 15.71503 
6.192524       22.98633 
1 1 1 -18 6  9  o 85.19361 8.599278 75.61678       14.69388  109.6904       
24.88041  57.36723       18.20850  101.6675 12.28340 72.97343 12.73356 
28.69412       17.69253 
1 1 1 -18 6  10 o 37.58873 14.51031 10.36269       15.72032  -1.437513      
21.79096  23.16877       22.70072  36.48991 15.83587 49.34500 17.74452 
-12.85508      23.78325 
1 1 1 -18 6  11 o 117.6296 8.453300 143.4026       20.08577  98.21697       
25.65930  214.9020       32.27721  95.69587 13.56540 143.1999 11.17254 
-47.50402      17.57401 
1 1 1 -18 6  12 o 220.7052 5.394598 498.1935       24.21157  489.6010       
29.22943  516.9770       43.21622  218.4820 6.578900 223.4518 9.510680 
-4.969757      11.56438 
1 1 1 -18 6  13 o 54.43913 12.09188 32.18726       13.03798  49.89651       
17.74807  11.42677       19.21630  67.74397 13.35809 40.63012 15.94179 
27.11384       20.79854 
1 1 1 -18 6  14 o 45.34845 13.36202 22.10619       13.15698  26.39336       
18.17513  17.38609       19.07074  49.86100 15.89917 44.06638 16.20153 
5.794617       22.69963 
1 1 1 -18 6  15 o 63.56173 11.34262 43.37468       14.12312  60.48790       
19.62529  24.99214       20.34010  74.68832 13.41451 49.48626 16.86733 
25.20205       21.55124 
1 1 1 -18 6  16 o 282.2887 5.538795 815.6650       31.79510  776.9790       
51.88421  838.9295       40.23519  273.8489 9.316928 285.7508 6.924161 
-11.90192      11.60815 
1 1 1 -18 6  17 o 99.03780 9.929383 102.8778       19.72813  113.3505       
35.00802  98.00437       23.88121  100.9100 17.70587 95.76896 12.56579 
5.141068       21.71168 
1 1 1 -18 6  18 o 93.19049 8.928786 90.73929       16.71345  97.54858       
23.56028  83.84130       23.71324  95.50940 12.42482 87.97198 13.70159 
7.537422       18.49621 
1 1 1 -18 6  19 o 56.80139 15.58414 36.01832       18.54400  41.26159       
23.10215  26.52001       31.09384  60.49971 17.67183 53.90515 20.50612 
6.594559       27.07018 
1 1 1 -18 6  20 o 108.9480 8.299133 123.8204       18.24839  130.6095       
25.01875  116.1027       26.67507  110.7652 11.26410 103.6352 12.93940 
7.129936       17.15541 
1 1 1 -18 6  21 o 53.79986 15.02916 32.77080       17.07604  24.46802       
23.90162  41.42669       24.40458  49.38535 18.14076 59.77195 18.33271 
-10.38660      25.79100 
1 1 1 -18 6  22 o 111.3851 8.438484 130.7035       18.97169  142.1490       
27.15435  119.7890       26.51704  114.3132 11.85362 104.3161 12.76681 
9.997086       17.42124 
1 1 1 -18 6  23 o 166.0227 7.952353 289.8220       26.84816  297.9798       
32.51217  272.3322       47.60475  166.8359 9.623934 153.5826 15.45230 
13.25331       18.20422 
1 1 1 -18 6  24 o 132.7496 7.967334 187.1517       21.40839  190.1285       
30.67904  184.3263       29.88850  130.7031 11.66521 128.8059 11.53290 
1.897202       16.40381 
1 1 1 -18 7  1  o 100.5120 8.115527 105.2245       16.44624  106.7893       
26.77430  104.2764       20.84157  99.19556 13.63361 99.27743 10.48202 
-0.8186340E-01 17.19733 
1 1 1 -18 7  2  o 136.3669 5.487947 190.5752       15.21844  185.9900       
21.60584  195.0900       21.43938  133.9091 7.970354 137.2415 7.713294 
-3.332352      11.09150 
1 1 1 -18 7  3  o 24.62818 11.13985 -5.968592      11.94528  -17.59987      
16.90344  5.634470       16.88293  26.00969 12.26849 35.50886 14.58329 
-9.499170      19.05750 
1 1 1 -18 7  4  o 130.0370 6.635317 174.1801       17.48770  170.4847       
29.16212  176.2552       21.85290  127.0620 11.40786 130.3445 8.287562 
-3.282486      14.10046 
1 1 1 -18 7  5  o 251.2372 5.981434 647.0367       30.55911  645.0668       
42.91275  649.0635       43.52804  249.8487 8.446131 250.5754 8.542388 
-0.7266998     12.01289 
1 1 1 -18 7  6  o 58.10498 13.82877 37.11956       16.10370  40.15181       
21.89930  33.54929       23.76282  60.06368 17.10513 55.87654 18.21350 
4.187141       24.98634 
1 1 1 -18 7  7  f 314.3086 5.118233 1010.067       32.71356  974.4443       
39.35186  1089.755       58.85743  308.2857 6.277120 324.6451 8.915401 
-16.35944      10.90351 
1 1 1 -18 7  8  o 249.5226 5.054485 636.4171       25.64709  631.5527       
31.11129  646.7342       45.30833  248.2482 6.162834 250.1496 8.906907 
-1.901382      10.83114 
1 1 1 -18 7  9  o 54.69904 12.62407 32.60127       13.75696  33.00016       
16.57638  31.71857       24.65881  54.81508 14.60694 55.09159 18.57287 
-0.2765083     23.62868 
1 1 1 -18 7  10 o 89.27711 8.107989 82.77048       14.55938  83.19753       
17.18368  81.68378       27.41120  89.13004 9.633965 86.12983 16.24604 
3.000206       18.88775 
1 1 1 -18 7  11 f 203.5471 5.393528 423.7614       22.32489  435.5150       
27.30186  400.0440       38.78296  206.0717 6.515122 196.4753 9.706921 
9.596329       11.69064 
1 1 1 -18 7  12 o 60.53722 11.02047 39.29499       13.06688  33.42002       
17.66493  46.39384       19.41792  55.14252 15.24383 64.84783 15.02015 
-9.705311      21.40045 
1 1 1 -18 7  13 o 84.99300 8.000277 75.06194       13.66465  73.77361       
18.95584  76.45567       19.71604  83.32058 11.49364 84.76460 11.75447 
-1.444023      16.43993 
1 1 1 -18 7  14 o 66.30897 10.63821 46.84076       13.85973  35.84404       
18.83542  59.82556       20.46735  56.96692 15.73773 74.05445 14.10636 
-17.08754      21.13446 
1 1 1 -18 7  15 o 167.4753 6.178716 287.5498       21.04265  315.1189       
34.39361  271.0562       26.60266  173.9964 9.759841 162.1312 8.068765 
11.86523       12.66331 
1 1 1 -18 7  16 o 78.21777 10.84376 64.93278       16.78394  29.20295       
25.65324  91.67410       22.19311  53.74750 18.91223 92.77568 12.04778 
-39.02818      22.42368 
1 1 1 -18 7  17 o 74.90834 12.62339 60.55261       18.54537  54.00979       
32.27740  63.77697       22.65884  68.84748 21.07791 76.04717 15.18389 
-7.199692      25.97746 
1 1 1 -18 7  18 o 41.67763 14.74506 16.68604       15.61417  7.602872       
21.13941  27.59103       23.16256  39.78143 16.32594 51.84748 17.98630 
-12.06605      24.29080 
1 1 1 -18 7  19 f 240.5775 5.401563 593.0374       26.42566  639.3451       
37.59727  547.8253       37.14980  248.9434 7.426845 230.2025 7.935876 
18.74081       10.86905 
1 1 1 -18 7  20 f 90.55885 9.675530 86.64038       17.54214  114.9772       
24.38119  56.22695       25.25874  103.5920 11.78351 69.79977 17.75380 
33.79224       21.30841 
1 1 1 -18 7  21 o 159.3451 6.610253 262.2371       21.41945  233.3503       
29.46893  294.5913       31.18741  148.6470 9.803974 167.4507 9.194042 
-18.80363      13.44055 
1 1 1 -18 7  22 o 27.49014 12.70444 -10.92405      16.67698  -7.738302      
23.41646  -14.20308      23.75684  34.37709 15.56894 32.67160 15.12158 
1.705490       21.70379 
1 1 1 -18 7  23 o 48.82573 17.29001 27.15208       21.47399  23.87025       
25.82261  34.51011       38.66539  48.06091 18.58471 55.67917 22.36024 
-7.618256      29.07528 
1 1 1 -18 7  24 o 27.61648 12.83503 -10.98180      17.38386  -32.42463      
24.46967  10.86828       24.70094  28.16154 13.66501 40.90111 17.28005 
-12.73956      22.03027 
1 1 1 -18 8  1  f 75.74274 9.939556 60.87351       14.93986  79.12562       
25.00157  50.73648       18.63228  84.50784 15.10279 67.70695 13.99512 
16.80089       20.59023 
1 1 1 -18 8  2  o 261.9891 5.102543 702.7514       27.18450  706.8723       
45.60937  700.4808       33.85524  261.1056 8.589869 261.0587 6.377292 
0.4690552E-01  10.69840 
1 1 1 -18 8  3  o 27.20144 11.81489 -1.260479      12.15032  1.232350       
17.64523  -3.508272      16.75557  33.91023 14.47602 30.93946 13.64423 
2.970770       19.89272 
1 1 1 -18 8  4  o 113.9915 6.337140 133.8116       14.63184  123.8155       
20.44203  144.3132       20.95252  108.8298 9.326984 117.7147 8.816989 
-8.884880      12.83479 
1 1 1 -18 8  5  o 65.15951 9.532458 44.94805       12.25732  49.53323       
16.77030  39.68941       17.95970  67.55114 12.67388 59.82762 14.83512 
7.723518       19.51174 
1 1 1 -18 8  6  o 186.8410 8.791320 361.1089       33.40241  0.000000       
0.000000  361.1089       33.40241  ?        ?        186.8410 8.791320 
0.000000       8.791320 
1 1 1 -18 8  7  o 55.10007 11.71094 32.91672       12.71748  32.39273       
16.07365  33.79378       20.79526  54.26664 14.34717 55.57143 16.89922 
-1.304783      22.16811 
1 1 1 -18 8  8  o 132.6942 6.195264 180.4890       16.71719  163.4461       
20.04734  219.3915       30.28822  125.7237 7.881140 144.9109 10.34631 
-19.18713      13.00610 
1 1 1 -18 8  9  o 99.60285 7.359255 102.5495       14.80031  92.00893       
17.62212  127.7862       27.26731  93.83126 9.360398 109.7117 12.44188 
-15.88039      15.56976 
1 1 1 -18 8  10 o 127.3097 6.452217 166.6361       16.64947  173.0914       
20.95302  155.5782       27.42367  129.3785 8.003331 121.6440 11.21243 
7.734528       13.77577 
1 1 1 -18 8  11 o 115.0185 6.290369 136.0134       14.65705  119.7237       
19.86989  155.4568       21.70828  107.1969 9.204388 122.3712 8.781984 
-15.17432      12.72179 
1 1 1 -18 8  12 o 97.14563 7.176499 97.50391       14.07674  77.94740       
18.93774  121.6510       21.04335  85.79300 11.11622 107.9136 9.692680 
-22.12061      14.74850 
1 1 1 -18 8  13 o 219.5295 6.764124 494.7935       30.19645  0.000000       
0.000000  494.7935       30.19645  ?        ?        219.5295 6.764124 
0.000000       6.764124 
1 1 1 -18 8  14 o 113.3799 6.710976 132.4302       15.40407  109.9321       
20.79580  159.7818       22.92943  102.3834 10.12088 123.9136 9.164625 
-21.53011      13.65367 
1 1 1 -18 8  15 o 114.0394 7.866645 134.6467       18.13142  152.3064       
28.92141  123.2115       23.27277  119.9503 12.01846 108.2291 10.71510 
11.72119       16.10145 
1 1 1 -18 8  16 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -18 8  17 f 37.62302 14.42177 10.90201       15.45296  8.861903       
22.02671  12.87929       21.68488  41.05436 16.73540 42.85462 16.89640 
-1.800262      23.78155 
1 1 1 -18 8  18 o 133.2475 6.962947 183.1644       18.80152  204.9910       
26.82792  162.0972       26.35706  140.1492 9.468908 124.1641 10.53830 
15.98515       14.16743 
1 1 1 -18 8  19 o 89.21763 9.809875 83.96474       17.50384  89.58178       
24.10203  77.69580       25.46226  90.81810 13.45789 83.59433 15.55084 
7.223770       20.56559 
1 1 1 -18 8  20 o 35.30336 14.39230 6.544504       16.29238  1.066567       
21.70776  13.61049       24.65430  36.90586 15.91086 44.41184 17.84813 
-7.505978      23.91048 
1 1 1 -18 8  21 o 170.1358 6.275990 298.6311       21.71348  285.9941       
30.46245  311.6831       30.95854  164.9518 9.116858 172.3741 8.861937 
-7.422272      12.71420 
1 1 1 -18 8  22 o 92.46481 9.992634 91.81943       18.49040  99.94987       
25.91339  83.38593       26.39192  94.28477 13.93538 84.79331 15.88972 
9.491463       21.13476 
1 1 1 -18 8  23 o 51.21903 18.63515 30.42695       25.13587  30.42695       
25.13587  0.000000       0.000000  51.21903 18.63515 ?        ?        
0.000000       18.63515 
1 1 1 -18 8  24 o 166.3462 7.759357 292.8702       26.24762  274.9274       
42.99719  303.5283       33.13863  154.2941 13.85129 167.1834 9.790132 
-12.88927      16.96186 
1 1 1 -18 9  1  o 77.31197 8.726744 62.82518       13.47978  68.18240       
18.57100  56.85969       19.59693  79.55210 11.84069 71.76041 13.93158 
7.791695       18.28363 
1 1 1 -18 9  2  o 100.7359 7.648620 105.3947       15.55121  76.70816       
24.97124  123.5691       19.87606  83.14268 15.33442 108.6753 9.076990 
-25.53260      17.81954 
1 1 1 -18 9  3  o 62.91822 10.12675 42.27449       12.51717  50.70041       
17.79035  34.01398       17.61486  68.01178 13.33981 55.28228 15.19752 
12.72950       20.22165 
1 1 1 -18 9  4  o 119.4655 5.964694 146.3974       14.49046  163.6829       
20.36082  128.6570       20.62699  125.6375 8.011138 110.9612 9.225043 
14.67632       12.21801 
1 1 1 -18 9  5  o 116.7969 5.664032 139.7634       13.45266  116.0930       
18.31145  167.5194       19.82891  105.5952 8.602374 127.2382 7.699809 
-21.64300      11.54504 
1 1 1 -18 9  6  o 131.7640 5.331674 177.6808       14.28603  172.2757       
19.30530  184.2236       21.24001  129.1587 7.380867 133.4392 7.862178 
-4.280548      10.78383 
1 1 1 -18 9  7  o 37.57780 12.36673 14.32928       10.94551  28.59576       
15.38190  -0.3042917     15.57854  51.10359 14.25998 31.36435 13.50039 
19.73924       19.63690 
1 1 1 -18 9  8  o 112.7067 6.964014 131.0011       15.88283  139.0156       
19.83248  116.6688       26.52150  115.7298 8.486316 104.6052 12.73040 
11.12460       15.29969 
1 1 1 -18 9  9  o 40.73650 12.67384 17.43983       11.61653  22.30731       
16.04008  12.07091       16.84604  46.18980 14.95813 39.39370 15.06792 
6.796108       21.23177 
1 1 1 -18 9  10 o 68.40840 9.320977 49.29853       12.62893  59.45530       
17.00052  36.79231       18.86459  74.60936 11.58057 57.68401 15.67366 
16.92535       19.48777 
1 1 1 -18 9  11 o 165.0837 5.121594 278.6449       17.19337  281.3570       
23.58313  275.5679       25.11973  165.4844 7.007980 163.6373 7.548860 
1.847137       10.30034 
1 1 1 -18 9  12 o 22.43108 10.45576 -10.47314      11.67247  -9.239679      
15.59058  -12.04640      17.60759  27.51600 12.55545 28.60823 13.16106 
-1.092228      18.18936 
1 1 1 -18 9  13 o 68.19355 9.697963 49.14926       13.06964  55.38007       
17.91787  42.06488       19.10580  71.56957 12.78028 61.60013 15.31701 
9.969440       19.94859 
1 1 1 -18 9  14 o 77.55077 10.21459 63.55521       15.71666  67.24926       
24.56065  60.99359       20.45247  77.88679 16.04101 74.78399 13.96237 
3.102798       21.26644 
1 1 1 -18 9  15 o 121.0450 7.506180 151.4211       18.38528  129.1128       
28.12739  168.0622       24.29335  110.0142 12.81272 126.9558 9.478209 
-16.94157      15.93745 
1 1 1 -18 9  16 o 53.04021 13.29680 30.88283       14.31464  47.84055       
19.94111  12.85437       20.56104  65.65685 15.23045 42.16285 16.50527 
23.49400       22.45864 
1 1 1 -18 9  17 o 52.79975 13.78490 30.69488       14.96023  44.10770       
20.62325  15.79786       21.73436  62.79577 16.08022 44.41021 17.08456 
18.38556       23.46179 
1 1 1 -18 9  18 o 38.00991 15.41853 7.861770       18.58555  -11.09947      
31.32362  18.16406       23.08902  40.09560 18.09645 46.30820 17.65753 
-6.212601      25.28379 
1 1 1 -18 9  19 o 176.6807 6.098649 320.7093       21.91160  319.4709       
30.43762  322.0413       31.56869  175.4743 8.529936 175.8348 8.857189 
-0.3605347     12.29673 
1 1 1 -18 9  20 o 34.82941 14.81207 2.472755       18.34711  1.547634       
22.46124  4.327598       31.80446  37.61477 16.20065 44.68217 19.26112 
-7.067398      25.16847 
1 1 1 -18 9  21 o 185.7983 6.115663 356.0577       23.10664  328.2324       
32.30024  385.2229       33.06876  176.7147 9.018403 192.0102 8.469198 
-15.29549      12.37170 
1 1 1 -18 9  22 o 70.27977 14.76025 57.01870       20.42361  56.39912       
24.13414  58.58186       38.33402  68.49740 17.31683 67.14445 23.14753 
1.352943       28.90814 
1 1 1 -18 9  23 o 47.54721 15.49143 26.36326       17.19144  18.18122       
24.17753  34.73040       24.44949  44.44338 17.73986 53.45931 18.48296 
-9.015926      25.61879 
1 1 1 -18 10 1  f 80.51534 8.344159 67.92389       13.46361  70.58995       
19.36256  65.42815       18.73385  80.82014 12.15779 77.71320 12.26097 
3.106941       17.26682 
1 1 1 -18 10 2  o 125.9113 6.521018 163.5199       16.63951  169.4617       
27.14560  159.9437       21.05989  126.7205 10.63247 123.9422 8.405442 
2.778244       13.55363 
1 1 1 -18 10 3  o 125.5014 6.512064 162.3725       16.56242  182.9731       
28.57943  151.9553       20.32307  131.7355 10.76241 120.8716 8.318908 
10.86395       13.60271 
1 1 1 -18 10 4  o 80.21222 7.914508 67.07270       12.74139  80.57783       
18.13328  53.90260       17.90695  87.25607 10.42596 70.32404 13.00066 
16.93204       16.66487 
1 1 1 -18 10 5  o 56.26485 10.46703 34.03035       11.53525  42.17555       
15.60079  24.20630       17.13330  62.13985 12.77283 47.78479 15.45789 
14.35507       20.05222 
1 1 1 -18 10 6  o 111.9499 5.729460 128.7420       12.99963  115.4884       
17.42609  145.3722       19.52011  105.4431 8.191291 118.3800 8.158532 
-12.93692      11.56109 
1 1 1 -18 10 7  o 45.03055 12.41963 22.01475       11.74157  10.95262       
16.03981  34.78641       17.23469  38.07720 14.66876 56.08717 14.86961 
-18.00996      20.88726 
1 1 1 -18 10 8  o 169.2150 4.803731 292.6380       16.52985  303.1578       
23.10141  281.6012       23.66217  171.8365 6.611069 165.5098 7.030390 
6.326675       9.650524 
1 1 1 -18 10 9  o 126.5353 5.635504 163.9335       14.50094  157.7454       
19.63168  171.3635       21.51189  123.4812 7.859047 128.6046 8.269498 
-5.123436      11.40830 
1 1 1 -18 10 10 o 132.2325 5.567529 178.9897       14.97105  165.9442       
19.90252  195.9914       22.72080  126.6931 7.762518 137.6106 8.155698 
-10.91750      11.25931 
1 1 1 -18 10 11 o 136.8810 5.548276 191.7869       15.44374  179.2882       
20.64986  207.6515       23.26471  131.7107 7.743896 141.6720 8.109038 
-9.961334      11.21269 
1 1 1 -18 10 12 o 97.26135 7.033848 97.72035       13.81801  114.6291       
19.01702  78.80810       20.11218  104.8812 9.003772 86.00246 11.81188 
18.87878       14.85222 
1 1 1 -18 10 13 o 264.2491 4.707193 713.4879       25.29455  653.6186       
34.25076  785.3146       37.51556  252.2938 6.675936 276.5473 6.670995 
-24.25346      9.437706 
1 1 1 -18 10 14 o 100.1268 13.47688 107.7557       26.74349  107.7557       
26.74349  0.000000       0.000000  100.1268 13.47688 ?        ?        
0.000000       13.47688 
1 1 1 -18 10 15 o 57.69804 12.07343 36.18890       13.71096  34.55186       
18.99732  37.96873       19.80857  55.89118 15.93662 58.42779 16.13828 
-2.536610      22.68083 
1 1 1 -18 10 16 o 233.3779 4.940885 556.9471       23.44854  562.8342       
32.78484  550.7817       33.55093  233.9812 6.890339 231.3722 7.130860 
2.609024       9.915944 
1 1 1 -18 10 17 f 96.82681 8.248058 97.56677       16.08568  100.3281       
21.66339  94.17342       24.01512  97.29898 11.15007 93.56918 12.96999 
3.729805       17.10394 
1 1 1 -18 10 18 o 62.66014 15.08091 43.84368       18.98431  36.17272       
33.26702  47.54820       23.11823  59.17094 21.45214 64.75243 17.24778 
-5.581493      27.52599 
1 1 1 -18 10 19 f 37.79487 14.74710 10.53065       16.37288  10.15968       
22.26377  10.96757       24.16204  41.49221 16.85948 43.04884 17.53579 
-1.556629      24.32583 
1 1 1 -18 10 20 o 35.32803 14.87564 3.847028       18.20675  19.36066       
22.34098  -26.83029      31.41623  46.03158 17.41272 35.67832 16.79748 
10.35326       24.19417 
1 1 1 -18 10 21 o 202.8865 5.904225 424.3829       24.35946  436.1855       
34.57816  412.7544       34.32222  204.3027 8.322930 198.6258 8.497441 
5.676865       11.89444 
1 1 1 -18 10 22 f 76.73704 14.10076 67.26704       21.19301  86.45184       
25.65740  26.06991       37.59824  86.55179 15.12833 53.04666 21.77171 
33.50513       26.51177 
1 1 1 -18 10 23 o 66.38461 13.84566 51.39463       18.08597  37.39324       
25.30848  66.00741       25.85513  54.85053 18.81390 72.75701 17.65457 
-17.90648      25.80013 
1 1 1 -18 11 1  o 48.79230 12.82874 26.30583       12.89751  11.36536       
18.29138  41.07908       18.18872  39.53079 15.53968 60.45659 14.89230 
-20.92580      21.52353 
1 1 1 -18 11 2  o 28.00945 11.87688 1.085543       11.73735  -0.1482067     
16.64548  2.305645       16.55316  32.26374 13.92105 33.37381 14.12537 
-1.110073      19.83234 
1 1 1 -18 11 3  o 132.3160 6.145665 179.8395       16.53609  173.8666       
26.58887  183.6069       21.11666  128.5670 10.25527 133.0524 7.839242 
-4.485413      12.90830 
1 1 1 -18 11 4  o 128.1763 6.365341 168.8120       16.59131  185.8557       
27.72067  159.2987       20.71041  132.9938 10.33101 123.8061 8.273767 
9.187737       13.23574 
1 1 1 -18 11 5  o 79.80963 7.516083 66.23499       12.05459  60.10923       
17.74630  71.48296       16.42571  74.68261 12.09913 82.25652 10.02732 
-7.573906      15.71420 
1 1 1 -18 11 6  o 140.1259 5.076429 200.8896       14.46532  223.9153       
20.16256  176.4676       20.76484  147.5956 6.717704 130.5436 7.858694 
17.05197       10.33860 
1 1 1 -18 11 7  o 200.9317 4.460919 412.4230       18.22738  364.7201       
24.55165  471.0033       27.20720  188.4895 6.405341 214.2505 6.244684 
-25.76105      8.945640 
1 1 1 -18 11 8  o 96.19858 6.570293 95.45364       12.77614  105.9037       
17.73721  84.18540       18.41844  100.8196 8.737850 89.35658 10.32639 
11.46304       13.52717 
1 1 1 -18 11 9  o 72.88335 8.652777 55.65211       12.57382  54.16024       
17.25898  57.33962       18.35580  70.82005 12.43797 72.77872 12.87374 
-1.958664      17.90073 
1 1 1 -18 11 10 o 228.4042 4.514602 532.8591       20.96887  520.1894       
28.84412  547.0598       30.53717  225.1876 6.298852 230.8627 6.504646 
-5.675125      9.054609 
1 1 1 -18 11 11 o 37.08808 13.09128 12.95875       12.30128  14.90164       
16.25620  10.35565       18.81659  40.83725 14.96674 39.67031 15.70802 
1.166943       21.69667 
1 1 1 -18 11 12 o 61.24655 11.00283 40.27816       13.19999  39.06619       
17.93434  41.71080       19.49887  59.39420 14.87979 61.23869 15.61100 
-1.844490      21.56644 
1 1 1 -18 11 13 o 143.0652 6.243860 209.9619       18.16514  197.6759       
28.21571  218.6588       23.73913  137.4706 10.16531 145.3574 8.062737 
-7.886826      12.97464 
1 1 1 -18 11 14 o 68.93280 11.80682 51.13174       15.95514  36.34874       
24.57029  61.91061       20.98050  57.68150 18.49576 75.19559 14.24198 
-17.51410      23.34367 
1 1 1 -18 11 15 o 75.05804 9.472196 59.34795       14.13578  59.21420       
18.92058  59.51693       21.26642  73.87182 13.07357 73.50118 14.74111 
0.3706360      19.70326 
1 1 1 -18 11 16 o 123.5412 6.697965 157.2955       16.76410  181.7327       
23.90299  133.6397       23.51773  132.1453 8.947801 112.7626 10.37230 
19.38265       13.69846 
1 1 1 -18 11 17 o 79.00050 9.793262 65.89087       15.39560  94.95078       
21.42339  34.85549       22.13959  94.50622 11.37597 56.20855 17.49815 
38.29767       20.87098 
1 1 1 -18 11 18 o 49.28018 16.19033 25.88770       18.76315  33.33775       
32.35441  22.11250       23.03161  57.43705 21.10496 48.34788 17.80031 
9.089169       27.60925 
1 1 1 -18 11 19 o 35.52150 14.38125 7.074623       16.13536  -2.683815      
22.06100  18.29947       23.66057  35.74386 15.71338 46.30611 17.82230 
-10.56225      23.76015 
1 1 1 -18 11 20 f 28.42796 13.12662 -11.94838      17.74756  -34.91812      
21.88300  32.19663       30.33679  26.36531 12.82311 55.37970 20.42313 
-29.01438      24.11506 
1 1 1 -18 11 21 o 110.5074 8.611627 128.7213       19.19931  127.1836       
26.93770  130.3090       27.37135  107.7758 12.52456 109.0784 12.56972 
-1.302574      17.74436 
1 1 1 -18 11 22 o 88.18009 12.20763 86.36846       21.30321  61.06685       
24.70646  159.7009       42.06147  70.96947 17.28076 114.6404 18.68621 
-43.67092      25.45190 
1 1 1 -18 11 23 o 33.27845 14.34148 2.812263       17.62289  30.94133       
24.69684  -26.36904      25.15452  50.90237 18.47905 30.01772 14.38489 
20.88465       23.41795 
1 1 1 -18 12 1  o 89.08385 7.578196 82.67393       13.59787  88.02617       
18.30386  76.08200       20.31332  91.14355 10.04231 83.82152 12.28150 
7.322037       15.86453 
1 1 1 -18 12 2  o 95.06885 7.128983 93.75250       13.68181  96.27185       
18.82589  90.93229       19.91828  95.51102 9.833375 92.45316 10.79787 
3.057869       14.60443 
1 1 1 -18 12 3  o 98.22980 6.884334 99.87181       13.66480  103.4268       
19.11893  96.15933       19.53776  99.16266 9.601456 95.36779 10.23447 
3.794868       14.03326 
1 1 1 -18 12 4  o 110.0702 7.074675 125.3297       15.75146  155.7980       
25.97769  107.6150       19.80815  121.5436 10.61690 101.1675 9.749022 
20.37614       14.41395 
1 1 1 -18 12 5  o 87.50761 7.934510 79.73716       13.96591  84.58069       
23.15886  76.96906       17.50761  88.37012 13.29939 85.27996 10.30446 
3.090164       16.82426 
1 1 1 -18 12 6  o 66.95787 8.847798 47.22733       11.75218  54.95385       
16.44114  39.15502       16.80501  71.46800 11.71909 59.47789 14.10750 
11.99012       18.34008 
1 1 1 -18 12 7  o 134.3455 5.213170 184.7197       14.24218  192.0417       
19.54622  176.4325       20.79467  136.4331 7.069418 130.5269 7.871128 
5.906158       10.57976 
1 1 1 -18 12 8  o 135.5785 5.318017 188.1475       14.66195  163.5127       
19.80378  218.0308       21.81161  125.6843 7.786808 145.3149 7.405746 
-19.63062      10.74614 
1 1 1 -18 12 9  o 163.5255 4.963804 273.4503       16.50636  274.6919       
22.85606  272.0967       23.86357  163.4682 6.875694 162.6041 7.216929 
0.8641052      9.967910 
1 1 1 -18 12 10 o 73.65058 8.872809 56.91800       13.02142  61.91792       
17.61085  50.88765       19.34059  76.02307 11.77209 67.96113 14.43990 
8.061943       18.63043 
1 1 1 -18 12 11 o 127.8942 5.589874 167.5136       14.53799  177.9458       
20.40823  156.7656       20.71483  131.1835 7.683760 122.9161 8.336749 
8.267349       11.33762 
1 1 1 -18 12 12 o 134.4851 6.421041 185.6564       17.56026  191.5675       
28.01915  181.8327       22.53507  135.2563 10.26352 132.3903 8.414182 
2.865997       13.27171 
1 1 1 -18 12 13 o 59.43408 12.68866 38.57349       14.86910  32.01511       
21.59757  44.48302       20.50138  54.34277 17.33194 63.09889 15.96499 
-8.756119      23.56432 
1 1 1 -18 12 14 o 142.3381 5.776266 207.6300       16.71936  209.6617       
23.13919  205.4106       24.18496  142.2970 8.029316 140.6920 8.493087 
1.605011       11.68771 
1 1 1 -18 12 15 o 35.45321 13.43222 10.02003       13.30745  1.375096       
18.12602  20.12744       19.59935  34.45018 14.68835 45.87548 16.48885 
-11.42530      22.08234 
1 1 1 -18 12 16 o 164.0953 5.556829 275.8688       18.54277  292.9189       
26.11635  258.5362       26.33184  168.5313 7.620450 157.9450 8.226757 
10.58627       11.21387 
1 1 1 -18 12 17 o 62.70637 12.56773 42.93639       15.46762  39.33356       
21.31926  46.94063       22.47554  59.17976 16.88530 64.42425 16.93323 
-5.244484      23.91334 
1 1 1 -18 12 18 o 115.7689 7.640842 139.0707       17.88692  109.6932       
25.01236  169.8193       25.58936  101.0442 12.43526 127.1159 9.979595 
-26.07161      15.94453 
1 1 1 -18 12 19 o 160.5113 6.358660 265.2983       20.75500  260.4482       
28.69096  270.6227       30.06094  157.8190 8.977030 160.7528 9.234643 
-2.933746      12.87889 
1 1 1 -18 12 20 o 112.2608 8.562003 132.2747       19.39848  175.6710       
26.54194  82.51413       28.42161  128.6410 10.23069 84.49668 17.12725 
44.14431       19.95018 
1 1 1 -18 12 21 o 177.1183 6.234972 324.4286       22.45687  326.3375       
31.45138  322.4432       32.07545  176.1884 8.778312 174.7426 9.057642 
1.445709       12.61347 
1 1 1 -18 12 22 o 52.84624 16.72683 33.30391       20.14525  41.71796       
23.65775  11.11018       38.42253  58.23750 18.08131 47.85424 20.89424 
10.38325       27.63156 
1 1 1 -18 12 23 o 43.77017 15.81837 21.33793       18.06744  27.57842       
25.09007  14.61660       26.03876  48.91386 18.46499 43.08913 17.94148 
5.824730       25.74593 
1 1 1 -18 13 1  o 82.88667 10.04596 73.03190       16.58687  68.14210       
28.92120  75.42861       20.24785  76.32727 18.76498 83.38315 12.31156 
-7.055878      22.44324 
1 1 1 -18 13 2  o 40.92730 12.56355 17.96773       11.45874  26.55847       
15.85000  8.561538       16.58520  49.09309 14.71452 36.73201 14.68219 
12.36108       20.78662 
1 1 1 -18 13 3  f 208.0890 4.513149 442.8406       19.09767  435.6585       
26.12924  451.0774       27.98223  205.8502 6.242006 209.3353 6.573375 
-3.485123      9.064871 
1 1 1 -18 13 4  o 140.7994 5.936545 203.5251       16.99753  192.3590       
26.63189  211.1999       22.07937  135.4675 9.732394 142.7892 7.631599 
-7.321686      12.36773 
1 1 1 -18 13 5  o 124.0306 6.364956 158.4981       15.99965  168.3535       
27.00822  153.1695       19.85944  126.3987 10.60559 121.4317 8.088644 
4.967072       13.33809 
1 1 1 -18 13 6  o 95.33454 7.535122 94.31388       14.48898  109.9669       
24.66965  86.07119       17.90188  101.4330 12.20501 90.37772 9.902734 
11.05533       15.71707 
1 1 1 -18 13 7  o 114.4387 5.803960 134.6140       13.46248  143.2068       
18.65372  125.2732       19.44879  117.5271 7.850217 109.6117 8.799557 
7.915443       11.79229 
1 1 1 -18 13 8  o 69.33597 8.660025 50.50130       11.94411  44.96532       
16.18817  57.11610       17.69533  64.18556 12.85076 72.68642 12.41760 
-8.500854      17.87005 
1 1 1 -18 13 9  o 132.0210 5.557641 178.5356       14.92056  179.2036       
20.37520  177.7631       21.91000  131.6229 7.645296 130.9016 8.273444 
0.7213287      11.26501 
1 1 1 -18 13 10 o 262.9349 4.573438 706.4508       24.45358  702.0964       
35.01043  710.5988       34.17006  261.4268 6.585609 263.0851 6.387016 
-1.658295      9.174106 
1 1 1 -18 13 11 o 110.3935 7.079727 125.8858       15.80941  129.7791       
24.70827  123.1871       20.57162  110.8534 11.11033 108.5486 9.412687 
2.304832       14.56153 
1 1 1 -18 13 12 o 139.0502 6.228955 198.4179       17.61320  238.0293       
29.46483  176.3937       21.97071  151.0455 9.643105 130.3827 8.330037 
20.66287       12.74280 
1 1 1 -18 13 13 o 210.0097 4.891640 451.0266       20.89033  446.6321       
29.18966  455.6409       29.91030  208.3967 6.887898 210.4527 6.988995 
-2.056015      9.812706 
1 1 1 -18 13 14 o 133.8378 5.886516 183.6687       16.02096  191.7902       
22.25155  174.9269       23.08558  136.0339 8.080086 129.6612 8.807697 
6.372711       11.95254 
1 1 1 -18 13 15 f 109.6998 6.954850 124.2975       15.43451  112.3887       
21.68925  136.5153       21.96882  103.2600 10.47401 114.2229 9.545542 
-10.96293      14.17118 
1 1 1 -18 13 16 o 96.65633 7.897769 97.10502       15.38774  134.9497       
21.92696  60.38107       21.59983  113.5118 9.588904 73.85383 14.89622 
39.65798       17.71565 
1 1 1 -18 13 17 o 49.72262 13.90185 27.24184       14.60401  32.47264       
19.97271  21.23204       21.40833  54.17978 16.57932 47.16713 17.19233 
7.012657       23.88409 
1 1 1 -18 13 18 o 33.92571 13.88792 5.483704       15.24935  26.09303       
21.20153  -16.60561      21.94959  49.93484 17.21457 31.03968 14.42480 
18.89517       22.45921 
1 1 1 -18 13 19 o 157.2069 6.524116 254.8181       20.85666  238.1695       
29.06070  272.5023       29.95100  150.5262 9.543218 161.2443 9.172215 
-10.71806      13.23641 
1 1 1 -18 13 20 o 71.34603 12.44638 56.13772       17.40101  58.49565       
23.75332  53.40665       25.56379  70.88106 16.74569 67.07394 18.25424 
3.807121       24.77166 
1 1 1 -18 13 21 o 131.2705 7.752082 180.6725       20.60184  170.9279       
27.94422  192.2760       30.49317  125.7429 11.04017 133.1755 11.36860 
-7.432625      15.84710 
1 1 1 -18 13 22 o 48.76651 15.38634 27.88296       17.05625  27.60142       
23.50970  28.19583       24.78300  49.32434 18.01060 49.89920 18.44791 
-0.5748634     25.78192 
1 1 1 -18 13 23 o 41.69599 16.17165 17.43049       19.59765  2.375499       
32.46565  26.06119       24.58140  41.48827 18.59944 47.79115 18.22014 
-6.302879      26.03676 
1 1 1 -18 14 1  o 96.55585 7.694844 97.21787       14.98336  105.3686       
29.14041  94.28853       17.46956  97.24763 15.23590 94.57855 9.199611 
2.669083       17.79791 
1 1 1 -18 14 2  o 151.8686 5.219843 236.4783       16.12044  257.1674       
22.90324  216.1661       22.69370  157.8021 7.137281 144.2764 7.763534 
13.52573       10.54577 
1 1 1 -18 14 3  o 81.85846 8.017322 70.04243       13.17447  76.99670       
18.38950  62.70963       18.88336  84.92989 10.89924 75.87663 12.68616 
9.053268       16.72519 
1 1 1 -18 14 4  o 28.79647 11.87511 3.179579       11.25170  -2.051881      
15.91707  8.404796       15.90756  30.69223 13.42330 36.19446 14.40765 
-5.502226      19.69176 
1 1 1 -18 14 5  o 63.88104 10.75285 43.85601       13.47225  59.30844       
22.68449  35.43580       16.74527  72.70358 15.79511 56.38297 14.51759 
16.32061       21.45334 
1 1 1 -18 14 6  o 82.91742 8.242102 71.82430       13.71329  70.53299       
22.35175  72.60376       17.36567  80.14530 14.23608 82.67677 10.57098 
-2.531471      17.73166 
1 1 1 -18 14 7  o 43.99794 14.94414 19.72878       15.96568  8.992356       
20.01968  38.48843       26.46304  39.60448 16.02436 59.01725 19.21967 
-19.41277      25.02351 
1 1 1 -18 14 8  o 170.3474 6.569365 298.2641       22.75676  318.9813       
30.56779  272.5058       34.08449  175.5033 8.565001 161.1900 10.45483 
14.31329       13.51528 
1 1 1 -18 14 9  f 116.5939 8.351567 141.2988       19.67023  139.1987       
24.61547  145.0090       32.71838  114.9444 10.65205 115.8275 14.18745 
-0.8831940     17.74119 
1 1 1 -18 14 10 o 95.47879 7.688332 94.62109       14.80111  93.37073       
22.67784  95.54896       19.53572  93.41663 12.23169 95.20656 10.25212 
-1.789932      15.95996 
1 1 1 -18 14 11 o 78.02593 9.277757 64.03952       14.43231  46.13402       
21.93393  77.71065       19.16573  64.02393 16.67983 85.41756 11.31214 
-21.39364      20.15394 
1 1 1 -18 14 12 o 93.98036 8.181845 91.94205       15.48050  89.61673       
24.14146  93.56592       20.17426  91.02827 13.44654 94.04060 10.74222 
-3.012337      17.21060 
1 1 1 -18 14 13 o 175.8928 5.097583 316.6023       18.23324  290.0178       
24.67735  348.5639       27.05818  167.8018 7.231868 183.9605 7.233068 
-16.15869      10.22825 
1 1 1 -18 14 14 o 87.03199 8.114613 78.92970       14.19585  79.04843       
19.79645  78.80403       20.36765  86.03488 11.61182 85.76086 12.00812 
0.2740250      16.70417 
1 1 1 -18 14 15 o 116.2581 6.914983 139.5703       16.27431  167.5473       
22.32271  107.8300       23.77673  126.8694 8.705098 100.5820 11.85219 
26.28736       14.70555 
1 1 1 -18 14 16 o 85.33321 8.834318 76.31157       15.10798  78.42684       
21.22650  74.13980       21.50811  85.25387 12.62541 82.61409 13.25043 
2.639778       18.30232 
1 1 1 -18 14 17 o 193.0889 5.377091 382.1477       21.11330  407.6173       
29.86284  356.6922       29.85459  198.7130 7.390154 185.6843 7.906506 
13.02870       10.82253 
1 1 1 -18 14 18 o 156.5807 6.257153 252.2769       19.92354  269.4413       
27.51006  233.3433       28.89307  160.8343 8.440756 149.1275 9.578287 
11.70679       12.76675 
1 1 1 -18 14 19 o 85.42345 11.93696 79.12183       20.16939  60.95272       
35.06258  88.10732       24.65742  70.73962 22.02041 89.21377 14.05666 
-18.47415      26.12447 
1 1 1 -18 14 20 o 27.41033 12.66588 -11.10350      16.56779  -21.39247      
22.54915  0.9673169      24.42376  29.87297 14.11494 38.33627 16.70072 
-8.463299      21.86654 
1 1 1 -18 14 21 o 38.10739 18.33837 -42.77045      41.86554  0.000000       
0.000000  -42.77045      41.86554  ?        ?        38.10739 18.33837 
0.000000       18.33837 
1 1 1 -18 14 22 o 35.96652 14.70706 8.723723       17.07758  43.54698       
23.85708  -27.87222      24.45677  58.85184 18.13846 29.26118 14.06494 
29.59067       22.95270 
1 1 1 -18 14 23 o 129.4982 8.995567 181.1605       23.54185  180.2703       
39.86452  181.6373       29.17193  121.1736 16.61563 127.4780 11.37269 
-6.304443      20.13497 
1 1 1 -18 15 1  o 126.5425 6.637724 165.7115       17.02117  153.4318       
32.07192  170.5265       20.08283  118.5394 13.54824 127.9688 7.753965 
-9.429428      15.61021 
1 1 1 -18 15 2  o 169.6510 4.951233 294.9320       17.08131  292.2825       
24.13504  297.5911       24.17825  168.2150 7.055569 169.7550 7.004073 
-1.540070      9.941735 
1 1 1 -18 15 3  o 203.3915 4.638844 423.3658       19.18642  418.0386       
27.10598  428.7150       27.16151  201.4323 6.617356 204.0166 6.546918 
-2.584335      9.308681 
1 1 1 -18 15 4  o 37.02738 12.77140 13.54123       11.67022  20.81389       
16.58897  6.415382       16.42069  44.85867 15.23307 35.40873 14.44360 
9.449944       20.99200 
1 1 1 -18 15 5  o 114.3747 7.141105 135.4264       16.52607  113.8808       
19.31367  194.3247       31.93279  104.2129 9.208392 135.1925 11.73167 
-30.97968      14.91397 
1 1 1 -18 15 6  o 90.54686 8.767550 85.85850       15.94151  94.39519       
18.87754  64.63723       29.76367  94.59413 9.963468 74.58957 19.42907 
20.00456       21.83482 
1 1 1 -18 15 7  o 140.2565 7.054158 203.1648       20.05541  195.9097       
25.94678  213.9322       31.60950  136.9121 9.375903 142.3855 11.00229 
-5.473328      14.45538 
1 1 1 -18 15 8  o 66.45123 12.68265 48.16117       16.51294  53.31014       
20.48020  38.59455       27.91599  69.21834 14.98437 59.26479 19.76171 
9.953552       24.80034 
1 1 1 -18 15 9  o 104.6343 8.885074 114.3456       18.72666  102.2215       
23.53083  135.2890       30.92691  97.78751 12.09081 111.8774 13.89292 
-14.08990      18.41741 
1 1 1 -18 15 10 o 196.7171 6.574309 397.8101       26.29926  400.8673       
34.41605  393.5193       40.77214  196.7073 8.603775 193.8247 10.38206 
2.882629       13.48377 
1 1 1 -18 15 11 o 24.25859 10.97403 -5.821513      11.59640  19.06749       
16.03868  -33.08539      16.78644  43.54869 14.97489 22.02405 10.82037 
21.52464       18.47506 
1 1 1 -18 15 12 o 41.50190 13.43061 17.97324       12.93303  22.08869       
17.36642  12.84878       19.37874  46.24377 15.58650 41.28674 16.06205 
4.957031       22.38143 
1 1 1 -18 15 13 o 76.98361 8.567369 62.10302       13.18461  68.99605       
17.41195  52.83885       20.18576  80.48949 10.91984 68.99093 14.82934 
11.49857       18.41608 
1 1 1 -18 15 14 o 122.7734 6.244493 155.1919       15.53884  134.8548       
21.00467  179.7763       23.09411  113.5920 9.171407 131.4235 8.690307 
-17.83156      12.63472 
1 1 1 -18 15 15 o 152.0292 5.613535 236.9546       17.35462  241.0703       
24.14822  232.5582       24.95808  152.5679 7.809596 149.6919 8.230624 
2.876068       11.34606 
1 1 1 -18 15 16 o 235.7905 4.909858 569.0269       23.54217  549.0520       
32.54477  590.9523       34.09674  230.8637 6.932249 239.4796 7.001531 
-8.615860      9.852792 
1 1 1 -18 15 17 o 94.71954 8.289166 93.71929       15.80548  98.93781       
21.97955  88.13110       22.74473  96.21424 11.45925 90.22067 12.75260 
5.993568       17.14477 
1 1 1 -18 15 18 o 52.29522 14.68897 30.65377       16.26526  32.35798       
22.95447  28.93521       23.05093  54.09797 17.91407 51.98112 17.94799 
2.116852       25.35831 
1 1 1 -18 15 19 o 141.9526 8.042935 210.3826       23.12175  197.8261       
40.91169  216.2755       28.02705  133.1489 15.39358 143.0991 9.688480 
-9.950195      18.18871 
1 1 1 -18 15 20 o 120.7314 7.841708 152.7223       19.14799  164.3580       
27.16508  141.2324       26.99441  123.5918 10.92099 113.9721 11.81909 
9.619644       16.09220 
1 1 1 -18 15 21 f 132.4313 10.47707 189.5578       27.98474  189.5578       
27.98474  0.000000       0.000000  132.4313 10.47707 ?        ?        
0.000000       10.47707 
1 1 1 -18 15 22 o 43.21083 15.54951 20.58024       17.43477  9.495770       
24.05717  32.84242       25.30295  40.15891 17.01468 51.96755 18.72908 
-11.80864      25.30371 
1 1 1 -18 15 23 o 31.35732 14.23653 -4.901738      19.72793  -28.72991      
32.47591  9.033353       24.83538  33.80842 16.23933 39.66569 17.05955 
-5.857269      23.55300 
1 1 1 -18 16 1  o 80.77404 9.322330 69.22335       15.03138  76.18807       
29.75433  66.83682       17.41734  80.38528 18.57515 78.64052 11.20859 
1.744759       21.69490 
1 1 1 -18 16 2  o 142.4033 5.458210 208.2309       15.80599  214.5211       
22.42034  202.0156       22.28636  143.6473 7.703349 139.3066 7.899639 
4.340698       11.03385 
1 1 1 -18 16 3  o 76.43140 8.412436 61.39605       12.85864  81.57039       
18.45013  42.34163       17.93071  87.47298 10.58788 61.37952 14.58156 
26.09345       18.02012 
1 1 1 -18 16 4  o 120.4302 5.836395 148.9830       14.29327  154.7452       
19.88838  142.8277       20.55560  121.9232 8.067203 116.8880 8.710387 
5.035202       11.87226 
1 1 1 -18 16 5  f 61.82555 11.99842 41.72425       14.54085  38.57620       
16.98646  50.35698       28.12910  58.74825 14.34338 65.89048 19.56924 
-7.142231      24.26289 
1 1 1 -18 16 6  o 209.7880 5.303236 451.0616       22.62419  441.9247       
26.69625  474.3477       42.61895  207.3030 6.332762 213.0864 9.835480 
-5.783417      11.69789 
1 1 1 -18 16 7  f 95.43904 7.719191 94.72166       14.85301  88.64513       
17.15958  112.8768       29.66046  91.83821 9.317219 101.4646 14.81162 
-9.626396      17.49842 
1 1 1 -18 16 8  o 233.5324 5.167998 558.5365       24.54263  542.8205       
29.15957  596.7166       45.44945  229.8457 6.238690 239.4417 9.334205 
-9.596054      11.22714 
1 1 1 -18 16 9  o 77.44748 9.270794 63.20774       14.31057  52.81740       
16.81508  90.50391       27.25430  69.76363 12.30234 90.51174 15.35627 
-20.74811      19.67644 
1 1 1 -18 16 10 o 51.16525 13.33389 28.88103       14.01394  33.57804       
16.26197  15.32780       27.62380  54.97504 14.38148 47.16870 18.91487 
7.806335       23.76130 
1 1 1 -18 16 11 f 40.15128 14.19906 15.51607       14.47774  21.05848       
16.96272  0.6468123      27.78375  45.31321 15.40363 41.36332 17.91602 
3.949894       23.62743 
1 1 1 -18 16 12 o 78.50131 8.579194 64.58472       13.47245  62.69335       
18.30469  66.82037       19.90110  76.19403 12.22733 78.46008 12.92321 
-2.266045      17.79092 
1 1 1 -18 16 13 f 105.2092 6.922458 114.4474       14.72764  120.8808       
20.40439  107.4505       21.27920  107.3906 9.439260 100.8295 10.53356 
6.561066       14.14410 
1 1 1 -18 16 14 o 131.3113 5.988101 176.9986       15.98979  191.3919       
22.04581  161.0227       23.22628  135.8116 8.018030 124.1041 9.270196 
11.70753       12.25665 
1 1 1 -18 16 15 o 199.3401 5.126980 406.9368       20.78298  417.6941       
28.70908  395.0921       30.12517  201.3321 7.012209 195.5927 7.574002 
5.739410       10.32166 
1 1 1 -18 16 16 o 106.6809 7.317015 118.0158       15.77755  120.2579       
21.54471  115.4228       23.16941  106.7935 10.03856 104.1942 11.10620 
2.599274       14.97066 
1 1 1 -18 16 17 o 41.37509 14.34058 17.20752       14.72278  3.031003       
20.17731  33.34982       21.53085  36.60261 15.54896 54.66580 17.29141 
-18.06319      23.25431 
1 1 1 -18 16 18 o 51.77990 14.18101 30.10255       15.37119  19.83885       
20.60443  42.98325       23.08226  45.50880 16.82171 60.93084 17.62600 
-15.42204      24.36484 
1 1 1 -18 16 19 o 101.7202 10.64443 110.8802       21.69206  44.42446       
38.08029  142.8030       26.39277  62.05167 22.88196 115.1324 11.42372 
-53.08069      25.57509 
1 1 1 -18 16 20 o 82.33485 10.91964 73.74345       17.83178  96.11415       
25.23792  51.44342       25.19802  92.48146 13.84571 65.09826 18.28205 
27.38320       22.93332 
1 1 1 -18 16 21 o 28.66691 13.76597 -27.05808      23.30190  -27.05808      
23.30190  0.000000       0.000000  28.66691 13.76597 ?        ?        
0.000000       13.76597 
1 1 1 -18 16 22 o 59.49311 14.85254 42.75816       17.91328  60.48283       
25.57742  25.69464       25.09586  68.60354 18.07948 47.79097 18.36460 
20.81257       25.77065 
1 1 1 -18 17 1  o 184.4715 5.266162 349.6402       19.75491  414.2760       
38.64631  326.7769       22.98476  198.4326 9.577309 177.9174 6.352873 
20.51524       11.49277 
1 1 1 -18 17 2  o 47.37195 12.16480 24.87331       11.77949  30.26237       
16.38696  19.11132       16.94445  51.84456 14.80769 43.49703 15.36339 
8.347527       21.33780 
1 1 1 -18 17 3  f 297.7249 4.452081 907.1063       26.95440  846.0386       
36.85908  977.3031       39.51824  286.5905 6.324574 308.0316 6.308861 
-21.44107      8.933195 
1 1 1 -18 17 4  o 89.62852 8.932817 84.47763       16.06429  75.76225       
18.74759  108.5552       31.16080  84.01788 11.25585 98.42574 16.12728 
-14.40785      19.66681 
1 1 1 -18 17 5  o 55.76867 12.72676 34.37820       14.11466  42.86028       
16.50941  11.33619       27.21076  62.17159 13.44931 44.89743 18.48533 
17.27417       22.86025 
1 1 1 -18 17 6  o 148.4553 5.012606 225.7420       15.13250  230.6244       
21.09268  220.5637       21.72239  149.5510 6.935709 145.9553 7.342181 
3.595688       10.10008 
1 1 1 -18 17 7  o 62.95784 9.271662 42.10506       11.51480  31.54165       
15.90744  53.73263       16.68948  53.21772 14.36481 70.35799 12.10114 
-17.14027      18.78258 
1 1 1 -18 17 8  o 27.26881 11.61284 0.6343648      11.30601  -9.628407      
15.13891  13.57673       17.00079  26.73380 12.26351 40.14303 15.18864 
-13.40924      19.52149 
1 1 1 -18 17 9  o 104.1738 6.442892 112.0232       13.58169  105.1554       
18.53840  119.9804       19.95451  100.1326 9.207426 106.9906 9.262969 
-6.858032      13.06060 
1 1 1 -18 17 10 o 73.71860 10.20624 57.80872       14.88965  65.30923       
17.43384  37.58821       28.62487  78.06443 11.31176 58.67839 20.00970 
19.38604       22.98573 
1 1 1 -18 17 11 o 43.30076 14.08884 19.70203       14.22113  28.75539       
16.59647  -5.310225      27.58590  51.04689 14.99768 39.11832 17.36591 
11.92858       22.94570 
1 1 1 -18 17 12 o 114.0571 6.347919 134.1288       14.66499  145.5536       
20.56867  122.3165       20.91450  118.1569 8.619905 107.9251 9.630764 
10.23178       12.92495 
1 1 1 -18 17 13 o 179.9768 5.050236 331.6506       18.48331  308.2473       
25.32130  358.3429       27.04217  172.8911 7.202144 186.4365 7.132787 
-13.54532      10.13645 
1 1 1 -18 17 14 o 100.8765 7.122887 105.4233       14.51768  109.5303       
19.70625  100.5485       21.46905  102.0739 9.606772 97.24715 11.05271 
4.826729       14.64420 
1 1 1 -18 17 15 f 114.1563 6.757109 134.6833       15.61618  144.5865       
21.69810  124.0416       22.49253  117.5181 9.151742 108.3622 10.33243 
9.155853       13.80266 
1 1 1 -18 17 16 o 22.94441 10.85217 -14.62027      13.39023  6.075881       
18.46788  -37.55970      19.44301  36.78069 15.19502 23.70401 11.64561 
13.07668       19.14442 
1 1 1 -18 17 17 o 164.0693 5.941705 276.8509       19.82393  290.3534       
27.76219  262.8038       28.31658  167.1793 8.166196 158.5461 8.817672 
8.633224       12.01824 
1 1 1 -18 17 18 o 109.3780 7.962183 125.0561       17.58823  129.7477       
24.74961  120.2694       24.99930  109.9792 11.22369 105.5360 11.85366 
4.443199       16.32423 
1 1 1 -18 17 19 o 110.0848 8.576230 127.6915       19.04735  97.73828       
26.76188  158.4419       27.11565  93.16293 14.60628 121.3124 11.11525 
-28.14946      18.35463 
1 1 1 -18 17 20 o 111.2761 9.708710 132.6112       21.74917  137.5854       
25.55442  119.5395       41.42575  112.3476 11.34059 96.60736 21.62575 
15.74020       24.41889 
1 1 1 -18 17 21 o 116.5052 9.437392 146.1803       22.16670  152.0031       
27.19151  134.6441       38.27322  117.2230 11.55733 103.8143 18.82266 
13.40868       22.08765 
1 1 1 -18 17 22 o 45.90876 15.94244 24.97442       18.19979  21.85058       
25.39138  28.27504       26.10001  45.64619 18.19237 48.94229 18.74699 
-3.296101      26.12302 
1 1 1 -18 18 1  o 24.91000 11.36359 -6.970392      12.76141  -6.371509      
24.04845  -7.205136      15.05615  35.50047 15.95471 27.32383 12.41755 
8.176643       20.21752 
1 1 1 -18 18 2  o 115.1515 7.252232 137.9272       16.89539  158.4663       
30.08984  128.4699       20.41793  120.9523 12.40938 110.3702 9.180511 
10.58203       15.43614 
1 1 1 -18 18 3  o 177.1424 5.798003 322.7258       20.88586  313.1066       
24.59132  347.6263       39.56551  174.0516 6.947882 181.0447 10.79591 
-6.993103      12.83841 
1 1 1 -18 18 4  o 123.9530 7.155249 159.3226       17.95902  155.8206       
21.19493  168.2375       33.81651  122.0556 8.594178 124.3435 13.59530 
-2.287895      16.08390 
1 1 1 -18 18 5  o 74.73311 8.025501 58.55507       12.00552  78.66564       
17.30688  39.90208       16.66789  86.06876 10.07916 59.74176 13.96959 
26.32700       17.22611 
1 1 1 -18 18 6  o 217.8406 4.390450 485.3424       19.44909  473.2604       
27.35021  497.7022       27.66279  214.4602 6.271370 219.9644 6.184321 
-5.504211      8.807719 
1 1 1 -18 18 7  o 40.91169 12.27744 18.04587       11.02949  20.04088       
15.32250  15.90060       15.88903  43.81944 14.64122 41.00538 14.83184 
2.814056       20.84103 
1 1 1 -18 18 8  o 185.0997 4.659647 350.5759       17.53922  362.2572       
24.46006  338.2133       25.16327  187.6304 6.410661 181.1512 6.830847 
6.479263       9.367873 
1 1 1 -18 18 9  o 112.6996 6.063688 130.8749       13.84556  125.1893       
18.95445  137.3791       20.27316  109.4911 8.581673 114.6646 8.760720 
-5.173447      12.26358 
1 1 1 -18 18 10 o 35.48310 12.87149 11.44744       11.97894  15.72139       
16.89643  7.128312       16.98549  41.46220 15.24910 36.27114 14.73057 
5.191051       21.20200 
1 1 1 -18 18 11 o 54.30056 12.58480 32.48677       13.62490  40.64354       
16.24840  13.16613       25.00704  60.58068 13.53098 44.60964 17.95852 
15.97104       22.48546 
1 1 1 -18 18 12 o 37.36023 13.89155 12.12281       14.09261  5.182421       
16.85788  28.22789       25.67984  35.12142 14.51420 52.64523 18.87914 
-17.52381      23.81353 
1 1 1 -18 18 13 o 67.29041 9.962724 48.26617       13.22073  45.73212       
17.92766  51.28719       19.57458  64.14034 14.12669 67.83489 14.62098 
-3.694557      20.33068 
1 1 1 -18 18 14 o 169.3534 5.419818 294.1011       18.66508  265.2023       
25.41013  327.9669       27.50724  160.0926 7.805203 178.1143 7.594460 
-18.02167      10.89023 
1 1 1 -18 18 15 o 92.69253 8.019845 89.67101       14.96794  79.08656       
20.21608  102.5133       22.26811  85.66901 11.92800 97.93717 11.39406 
-12.26816      16.49551 
1 1 1 -18 18 16 o 111.2175 7.334136 128.4469       16.49411  133.4599       
22.38311  122.4900       24.39951  112.4366 9.890131 107.0443 11.38367 
5.392349       15.07987 
1 1 1 -18 18 17 o 37.06847 14.01099 11.70115       14.45733  12.68658       
19.91249  10.60261       21.02427  41.03248 16.18698 40.61427 16.42550 
0.4182091      23.06112 
1 1 1 -18 18 18 o 50.15754 14.44796 28.42973       15.53865  17.89649       
20.95996  41.28283       23.15332  44.24364 16.83483 59.37064 17.78196 
-15.12700      24.48693 
1 1 1 -18 18 19 o 81.92512 10.46100 72.55178       17.02991  62.39398       
23.20122  84.41725       25.07571  73.09367 16.04876 86.07095 14.86406 
-12.97728      21.87471 
1 1 1 -18 18 20 o 111.8177 9.794071 134.4801       22.04574  125.2819       
26.31243  156.1469       40.38365  106.1787 12.42104 113.7191 18.06735 
-7.540375      21.92513 
1 1 1 -18 18 21 o 39.28805 15.93071 12.38268       19.83244  22.00734       
24.45678  -6.101039      33.89232  46.01228 18.00419 40.19508 18.40565 
5.817207       25.74721 
1 1 1 -18 18 22 o 93.52826 11.60392 99.09903       21.59575  78.05453       
35.18039  111.8241       27.35658  73.07748 21.92634 96.99541 14.29832 
-23.91793      26.17645 
1 1 1 -18 19 1  o 47.79744 13.00120 25.74820       12.97181  51.31688       
24.78720  16.10456       15.22277  65.43891 18.04376 40.28445 14.52576 
25.15446       23.16409 
1 1 1 -18 19 2  o 154.2019 6.178388 245.3458       19.37387  289.8022       
36.74662  228.2308       22.80020  164.6655 11.03784 147.9922 7.601804 
16.67325       13.40229 
1 1 1 -18 19 3  o 49.99062 14.15125 28.05054       15.03537  27.98668       
17.45437  28.23420       29.60246  50.05150 15.52939 53.12587 20.05639 
-3.074371      25.36574 
1 1 1 -18 19 4  o 115.3513 6.035141 137.3273       14.10747  141.6057       
20.68078  133.6036       19.29336  116.1764 8.819646 112.9682 8.459899 
3.208176       12.22113 
1 1 1 -18 19 5  o 37.23996 12.65917 14.01734       11.45670  8.068520       
15.96619  20.33141       16.44905  35.87865 14.38272 44.28649 15.16806 
-8.407833      20.90293 
1 1 1 -18 19 6  o 66.76215 9.337982 47.38947       12.33060  64.07564       
17.56582  31.17995       17.31312  77.02344 11.57267 52.74211 15.26750 
24.28133       19.15785 
1 1 1 -18 19 7  o 33.57738 12.29889 10.02059       10.97505  11.78526       
15.33620  8.168200       15.71277  37.82941 14.39887 35.80689 14.29844 
2.022514       20.29218 
1 1 1 -18 19 8  o 121.1076 5.614178 150.5593       13.82639  147.2506       
18.97080  154.3081       20.19336  118.9758 7.885780 121.6922 8.208038 
-2.716438      11.38233 
1 1 1 -18 19 9  o 89.01693 7.158163 82.30707       12.84808  83.61201       
17.54240  80.79714       18.87001  88.89663 9.870685 87.00192 10.90536 
1.894707       14.70909 
1 1 1 -18 19 10 o 105.9440 6.273288 115.8449       13.45502  113.0126       
18.61498  118.9435       19.47035  103.8597 8.899792 106.5062 9.076345 
-2.646545      12.71166 
1 1 1 -18 19 11 o 102.0297 6.623833 107.6470       13.66883  95.08233       
18.70107  122.0585       20.02839  94.89561 9.833744 107.8581 9.220098 
-12.96245      13.48009 
1 1 1 -18 19 12 o 70.71918 11.03644 53.78016       15.35316  56.63098       
17.99013  46.13737       29.45612  71.99591 12.75471 63.37832 20.24391 
8.617592       23.92694 
1 1 1 -18 19 13 o 137.4243 5.842122 193.9732       16.32622  177.7603       
22.44163  212.2011       23.79531  130.5669 8.498502 142.8089 8.228618 
-12.24205      11.82940 
1 1 1 -18 19 14 o 43.63918 13.51194 20.55745       13.22160  25.59359       
18.12393  14.82832       19.33070  48.70638 15.90782 42.13403 16.13502 
6.572353       22.65828 
1 1 1 -18 19 15 o 157.5531 5.620101 254.9251       18.00622  273.4283       
25.22102  235.6893       25.71546  162.4904 7.632795 150.3348 8.445907 
12.15558       11.38389 
1 1 1 -18 19 16 o 58.17477 12.65696 37.51997       14.54746  33.92192       
20.01106  41.55278       21.18557  54.72160 16.56342 60.12399 16.72054 
-5.402386      23.53558 
1 1 1 -18 19 17 o 45.09887 14.39977 22.21099       14.90490  18.95348       
20.67251  25.73774       21.50984  44.83169 16.79418 49.23286 17.31834 
-4.401173      24.12404 
1 1 1 -18 19 18 o 35.14058 14.04932 8.342617       15.19007  2.130716       
21.29537  14.77714       21.67361  36.54571 15.75729 42.71467 16.87586 
-6.168961      23.08867 
1 1 1 -18 19 19 f 107.1563 8.312753 121.2952       17.97222  123.7833       
25.15862  118.7024       25.68258  106.2707 11.84330 103.6748 12.42967 
2.595818       17.16859 
1 1 1 -18 19 20 o 93.94079 14.96361 102.8322       27.62631  79.44738       
38.62258  127.3317       39.53231  75.59925 23.03971 99.86621 20.16094 
-24.26696      30.61522 
1 1 1 -18 19 21 o 60.32790 14.63473 43.89010       17.77012  48.30468       
24.49709  38.98727       25.81624  60.94054 18.29942 54.96464 18.99317 
5.975906       26.37440 
1 1 1 -18 19 22 f 117.9632 9.580531 152.8374       22.78342  139.7371       
36.90847  160.9025       28.95959  103.6245 18.17800 118.4091 12.20174 
-14.78469      21.89342 
1 1 1 -18 20 1  o 73.80511 9.682735 58.60619       14.18173  81.28428       
26.93664  49.90955       16.68076  83.33471 16.47908 66.70878 12.76148 
16.62593       20.84264 
1 1 1 -18 20 2  o 107.2541 9.182611 121.8153       19.83462  151.0547       
32.73351  104.8509       24.93327  116.5682 14.09528 97.60052 12.87690 
18.96773       19.09166 
1 1 1 -18 20 3  o 104.1999 7.773587 113.5160       16.35321  110.5332       
18.87438  122.4972       32.75166  102.2676 9.173288 103.9551 16.00662 
-1.687492      18.44887 
1 1 1 -18 20 4  o 36.54522 12.93012 12.98691       12.00707  26.24615       
17.42837  1.007937       16.56560  48.74631 15.57181 32.49924 13.95376 
16.24707       20.90906 
1 1 1 -18 20 5  o 100.7639 6.519245 105.1552       13.28680  103.7873       
18.94735  106.4788       18.63722  99.09284 9.519918 100.4951 9.222689 
-1.402275      13.25469 
1 1 1 -18 20 6  o 160.4990 4.864728 263.9713       15.87751  229.8211       
22.49679  297.8641       22.41182  148.9891 7.425310 169.9791 6.483805 
-20.99002      9.857736 
1 1 1 -18 20 7  o 145.4500 5.124760 216.9280       15.15788  210.4448       
20.97538  224.0143       21.92939  142.4817 7.263455 147.1617 7.327916 
-4.679962      10.31776 
1 1 1 -18 20 8  o 182.7424 4.750294 341.9728       17.65270  348.9696       
24.67077  334.6324       25.26937  183.9987 6.593509 180.0626 6.901118 
3.936020       9.544621 
1 1 1 -18 20 9  o 108.5964 6.210450 121.7327       13.65788  103.4452       
18.64404  142.9128       20.06440  99.11591 9.360913 116.9597 8.493996 
-17.84378      12.64020 
1 1 1 -18 20 10 o 72.04849 8.552983 54.67233       12.28648  77.65314       
17.39421  31.78906       17.35726  85.47983 10.20863 53.26363 15.24896 
32.21620       18.35067 
1 1 1 -18 20 11 o 55.25481 11.61071 33.42686       12.63153  46.36548       
16.91616  17.12025       18.99065  64.74786 13.29291 43.32001 16.12230 
21.42785       20.89570 
1 1 1 -18 20 12 o 92.82038 8.321732 90.13966       15.54075  84.67984       
18.29197  104.3061       29.46464  89.29264 10.26021 96.82446 15.48649 
-7.531822      18.57696 
1 1 1 -18 20 13 o 87.94868 9.154737 81.50502       16.13297  87.86407       
19.25168  66.50707       29.56573  90.81737 10.62517 75.24607 19.24532 
15.57130       21.98355 
1 1 1 -18 20 14 o 28.41497 12.26717 -0.3512195     12.93974  5.451471       
17.47351  -7.397477      19.25505  35.60891 14.75121 31.52459 14.21184 
4.084318       20.48352 
1 1 1 -18 20 15 o 53.74279 13.36805 32.28921       14.54931  35.65144       
19.54884  28.11425       21.78379  55.97806 16.22889 51.04598 17.45539 
4.932079       23.83417 
1 1 1 -18 20 16 o 128.0036 6.683891 169.7336       17.33778  179.5055       
24.10175  159.2538       24.95940  130.6189 9.131285 122.5304 10.10722 
8.088455       13.62117 
1 1 1 -18 20 17 o 79.78407 10.08987 68.27644       16.00423  51.46236       
21.63789  88.58493       23.78030  66.55817 16.15087 89.35739 13.50845 
-22.79922      21.05537 
1 1 1 -18 20 18 o 32.79681 13.73828 4.154905       15.39867  1.612203       
21.82500  6.675360       21.72932  36.55788 15.85679 38.64227 16.26007 
-2.084385      22.71184 
1 1 1 -18 20 19 o 28.28093 12.90534 -7.627554      16.47509  2.101859       
22.40540  -19.08091      24.30949  36.79797 16.01363 31.47374 14.80512 
5.324232       21.80889 
1 1 1 -18 20 20 o 54.39145 16.91452 36.45635       20.69353  71.98065       
36.89556  20.15269       24.99505  71.45143 22.63901 45.39602 18.06331 
26.05542       28.96218 
1 1 1 -18 20 21 o 76.16675 12.16534 66.56354       18.20857  60.91220       
25.55798  72.38870       25.94806  68.16006 18.12539 75.31724 17.30531 
-7.157181      25.05999 
1 1 1 -18 20 22 o 95.81821 18.72632 123.0607       35.18007  123.0607       
35.18007  0.000000       0.000000  95.81821 18.72632 ?        ?        
0.000000       18.72632 
1 1 1 -18 21 1  o 75.95013 9.060133 61.77664       13.71694  77.19543       
26.58980  56.18534       16.01201  80.63883 16.76202 71.35207 11.42058 
9.286766       20.28288 
1 1 1 -18 21 2  o 52.40533 15.40311 31.68319       17.50272  20.20932       
28.45784  38.66420       22.19760  48.19343 19.24322 57.20999 17.47359 
-9.016560      25.99285 
1 1 1 -18 21 3  o 79.73516 8.179990 67.02921       13.07554  47.44719       
18.77473  85.47305       18.22092  64.44994 14.65638 89.30954 10.21660 
-24.85960      17.86584 
1 1 1 -18 21 4  o 93.72425 7.027223 91.46893       13.29579  72.66883       
18.20007  112.9848       19.47031  81.95985 11.21412 103.3255 9.368319 
-21.36566      14.61239 
1 1 1 -18 21 5  o 52.96124 11.51476 30.92352       12.04763  19.55484       
17.29845  41.63220       16.78882  43.87674 15.52030 60.82344 13.87997 
-16.94669      20.82146 
1 1 1 -18 21 6  f 79.07488 9.663003 66.50789       15.21498  105.9482       
30.21457  53.10912       17.61079  96.98307 15.86937 69.32035 12.96976 
27.66272       20.49516 
1 1 1 -18 21 7  o 23.83079 11.09866 -10.97391      13.10709  1.181264       
25.91915  -15.15028      15.19286  39.82534 17.27711 24.76328 11.66549 
15.06206       20.84664 
1 1 1 -18 21 8  o 25.12426 11.53821 -8.685229      13.45313  25.49906       
26.98878  -19.98742      15.51856  51.18397 19.18606 23.68689 11.33720 
27.49708       22.28536 
1 1 1 -18 21 9  o 112.8192 7.526217 132.3591       17.16768  118.5148       
31.74530  138.0816       20.40966  103.0452 15.64095 114.7774 8.811608 
-11.73221      17.95227 
1 1 1 -18 21 10 o 176.7566 4.824399 320.0604       17.34085  322.8860       
24.14948  317.0526       24.91580  176.9173 6.712527 175.2044 6.993241 
1.712921       9.693474 
1 1 1 -18 21 11 o 105.1906 6.564803 114.4951       13.97254  106.3946       
18.67505  124.7962       21.05944  100.5287 9.238632 108.7870 9.618714 
-8.258316      13.33687 
1 1 1 -18 21 12 f 25.99622 11.53790 -3.388754      12.17032  -22.87206      
16.71387  18.60049       17.75624  24.19403 11.62880 43.59819 15.69186 
-19.40416      19.53109 
1 1 1 -18 21 13 o 94.87808 8.490009 94.40171       16.20730  103.2202       
19.63692  75.55865       28.70458  98.71402 9.916436 80.70055 17.95455 
18.01347       20.51101 
1 1 1 -18 21 14 o 99.33528 7.424753 102.7602       14.88968  120.8873       
20.80907  83.74188       21.31441  106.9418 9.673435 87.80164 12.27315 
19.14014       15.62708 
1 1 1 -18 21 15 o 145.6793 6.031904 218.6236       17.86914  221.3797       
24.76105  215.6281       25.81335  145.4843 8.405347 143.3350 8.900050 
2.149338       12.24176 
1 1 1 -18 21 16 o 62.56757 12.32580 43.40235       15.12464  61.33313       
20.74218  23.04457       22.10141  73.73689 14.34943 47.65736 17.45357 
26.07953       22.59498 
1 1 1 -18 21 17 o 64.20190 12.86935 46.21645       16.21671  58.43442       
22.20011  32.23814       23.74558  70.92995 15.79656 53.22382 18.22433 
17.70613       24.11757 
1 1 1 -18 21 18 o 32.41582 13.80783 2.704337       15.99034  9.653167       
23.02913  -3.764824      22.22008  40.54572 16.87681 34.63177 15.46616 
5.913940       22.89167 
1 1 1 -18 21 19 o 96.16530 10.27631 100.6244       19.78475  80.53270       
23.57016  148.5453       36.40132  83.36269 14.42625 111.8062 16.50675 
-28.44350      21.92235 
1 1 1 -18 21 20 o 29.34961 13.66730 -12.12464      19.86668  -33.05592      
36.08823  -3.023076      23.79718  35.42028 17.04043 35.11894 15.81887 
0.3013344      23.25109 
1 1 1 -18 21 21 o 73.57243 12.71949 63.29914       18.34140  59.12305       
26.30443  67.25076       25.58773  66.00213 18.72953 71.63216 17.67458 
-5.630035      25.75240 
1 1 1 -18 22 1  o 56.57938 15.26095 37.89601       17.96193  41.40387       
28.75417  35.65125       23.00195  57.87103 20.04209 54.43175 17.92817 
3.439285       26.89060 
1 1 1 -18 22 2  o 33.24487 14.24951 2.242572       17.22236  13.04721       
27.81648  -4.473937      21.93152  44.57331 18.55033 34.21865 15.31746 
10.35466       24.05700 
1 1 1 -18 22 3  o 120.5539 7.184476 151.5851       17.53283  158.7183       
33.21314  148.8294       20.64352  119.3921 13.94249 118.8064 8.602854 
0.5857620      16.38298 
1 1 1 -18 22 4  o 45.15838 12.60233 22.75492       12.01296  7.021235       
16.94999  38.63389       17.02807  35.72510 14.63519 58.15211 14.46049 
-22.42701      20.57413 
1 1 1 -18 22 5  o 102.1515 7.372862 108.8340       15.21263  95.83841       
28.26328  114.1346       18.05038  91.90775 15.68527 104.1583 8.598869 
-12.25060      17.88765 
1 1 1 -18 22 6  o 193.9873 5.617127 387.0649       22.15843  372.4000       
40.54633  393.3098       26.45905  187.2104 10.69487 195.0875 6.669502 
-7.877136      12.60407 
1 1 1 -18 22 7  o 95.49243 8.241585 95.61287       15.84730  117.1054       
31.40773  88.27232       18.35511  102.0992 15.62437 91.04313 10.08355 
11.05611       18.59567 
1 1 1 -18 22 8  o 162.4445 6.050579 271.7347       19.98726  326.0295       
38.52507  251.7380       23.37997  175.1981 10.86702 155.8760 7.375868 
19.32210       13.13376 
1 1 1 -18 22 9  o 50.86825 13.86959 28.98771       14.74181  -11.30845      
28.76895  43.33598       17.16690  37.69490 17.14392 62.15359 13.92744 
-24.45869      22.08818 
1 1 1 -18 22 10 o 244.8820 5.383597 615.7588       26.80902  614.9254       
48.22987  616.1315       32.25042  241.9884 9.800994 244.4147 6.488683 
-2.426315      11.75425 
1 1 1 -18 22 11 o 121.5740 6.016075 152.1381       14.87324  112.8874       
19.57595  205.7339       22.87517  103.4289 9.410360 140.4895 8.040373 
-37.06062      12.37750 
1 1 1 -18 22 12 o 130.2531 5.883178 174.5634       15.58301  199.5984       
21.57891  147.2801       22.52707  138.5021 7.691918 118.2038 9.450803 
20.29823       12.18537 
1 1 1 -18 22 13 o 35.37669 13.99914 8.657582       14.93648  -13.12613      
17.46253  68.03954       28.83158  27.74741 12.88529 75.84975 18.78947 
-48.10234      22.78321 
1 1 1 -18 22 14 o 79.70805 9.355451 67.48735       14.87579  56.42879       
20.06445  80.98560       22.16751  70.77055 14.43115 85.77908 13.12569 
-15.00853      19.50748 
1 1 1 -18 22 15 o 67.79299 11.25573 50.13289       14.97286  55.05303       
20.46643  44.46727       21.96226  69.51774 14.92365 61.66441 16.97684 
7.853329       22.60372 
1 1 1 -18 22 16 o 127.1905 6.775391 168.1320       17.46112  191.8689       
24.30034  142.7931       25.10692  134.8541 8.911524 115.2389 10.84123 
19.61525       14.03380 
1 1 1 -18 22 17 o 93.67080 8.941262 93.30530       16.82473  106.8633       
23.44463  78.90845       24.15897  98.70208 11.92216 82.98248 14.86245 
15.71960       19.05335 
1 1 1 -18 22 18 o 47.04459 14.75209 25.46847       15.70385  21.54715       
21.36453  30.07710       23.16132  45.56192 17.07193 50.99417 17.96732 
-5.432255      24.78458 
1 1 1 -18 22 19 o 27.79413 12.98960 -13.01087      18.20325  -29.14166      
22.35583  18.72485       31.35718  27.26413 13.18929 46.94757 19.63020 
-19.68344      23.64957 
1 1 1 -18 22 20 o 71.86163 15.13304 62.91919       21.41558  122.5176       
39.38357  37.89863       25.51798  94.31826 21.06564 53.87389 18.86794 
40.44437       28.28004 
1 1 1 -18 22 21 o 100.8722 10.79443 114.8158       21.79865  123.5859       
36.48483  109.9472       27.18409  94.96365 19.54473 95.12668 14.51227 
-0.1630249     24.34343 
1 1 1 -18 23 1  o 104.9521 8.831437 117.8123       18.67318  137.8988       
32.04387  107.4839       22.97785  109.0343 14.83740 98.41774 11.71105 
10.61660       18.90231 
1 1 1 -18 23 2  o 42.95947 13.84251 20.60619       13.74969  38.52453       
29.38160  15.58185       15.55844  56.55291 20.20321 39.68760 14.62738 
16.86530       24.94253 
1 1 1 -18 23 3  o 84.25103 9.361043 75.94006       15.76688  107.2328       
31.87910  65.80671       18.14098  95.46812 17.04628 77.18243 11.94399 
18.28570       20.81429 
1 1 1 -18 23 4  o 100.9758 7.886965 107.0662       16.06639  126.0796       
29.93865  99.37593       19.04032  106.0861 14.23712 96.41029 9.850138 
9.675850       17.31245 
1 1 1 -18 23 5  o 136.6690 6.470864 193.1775       17.98389  252.0737       
35.68570  173.1277       20.82116  152.9544 11.55842 128.5818 8.002629 
24.37265       14.05842 
1 1 1 -18 23 6  o 89.26622 7.234312 83.18819       13.01920  92.22615       
18.72199  74.72511       18.11679  92.93327 10.06768 83.17152 10.98006 
9.761742       14.89697 
1 1 1 -18 23 7  o 61.92934 10.05468 41.39665       12.22812  46.20475       
17.59176  36.90166       17.00930  64.03335 13.90800 56.92617 14.61770 
7.107174       20.17696 
1 1 1 -18 23 8  o 90.21156 7.034483 84.74203       12.80264  79.99098       
17.62125  90.05396       18.63236  86.51344 10.21311 91.88459 10.14076 
-5.371155      14.39245 
1 1 1 -18 23 9  o 72.86347 8.469348 56.07274       12.31495  76.37083       
17.44161  35.89354       17.39045  84.46897 10.37194 56.15311 14.96028 
28.31586       18.20405 
1 1 1 -18 23 10 o 97.70073 8.517223 100.2962       16.75258  106.5448       
30.52488  97.60284       20.04035  97.01112 16.03333 95.58896 10.48164 
1.422165       19.15549 
1 1 1 -18 23 11 o 66.05021 12.53899 48.19164       16.22580  59.31096       
32.18400  44.40222       18.78830  69.88566 20.97252 62.44398 14.98672 
7.441677       25.77689 
1 1 1 -18 23 12 o 101.1838 7.093326 106.5167       14.50299  94.56562       
19.67557  120.7355       21.46124  94.05200 10.46489 106.5987 10.01789 
-12.54668      14.48696 
1 1 1 -18 23 13 o 69.64066 9.855742 52.00967       13.56762  41.27034       
18.25650  65.25790       20.27721  60.09021 14.99003 76.59344 13.51254 
-16.50323      20.18142 
1 1 1 -18 23 14 o 70.42009 11.76793 54.36673       16.25719  42.48885       
18.96233  87.31683       31.58280  60.74724 15.34534 85.69741 18.65261 
-24.95017      24.15365 
1 1 1 -18 23 15 o 126.0967 6.775701 165.2600       17.31069  157.9848       
23.18573  174.4231       26.02086  122.0582 9.413898 127.9017 10.08632 
-5.843414      13.79693 
1 1 1 -18 23 16 o 41.44431 14.44671 18.01615       14.95173  7.604284       
20.57196  29.67456       21.76862  38.26937 15.94201 51.11463 17.44946 
-12.84526      23.63538 
1 1 1 -18 23 17 o 119.5943 7.297060 149.9200       17.66148  140.7757       
24.74623  159.4137       25.21456  113.8652 10.81717 121.5746 10.29571 
-7.709358      14.93361 
1 1 1 -18 23 18 o 131.1028 8.284409 182.4639       21.97280  198.6542       
26.71856  148.6367       38.62067  135.7354 9.744699 110.3606 17.81576 
25.37476       20.30666 
1 1 1 -18 23 19 o 109.4419 8.366175 128.3296       18.47819  152.3337       
26.07331  104.1078       26.19131  117.1205 11.07904 94.28513 14.09279 
22.83537       17.92628 
1 1 1 -18 23 20 f 28.88751 13.45521 -10.83074      19.27253  0.4240319      
35.66018  -15.47447      22.90595  41.36717 18.91929 30.34341 14.30319 
11.02375       23.71752 
1 1 1 -18 23 21 o 91.60699 11.21674 96.26999       20.45867  114.6352       
33.92051  85.76938       25.64906  91.38555 18.87771 81.90831 15.97273 
9.477242       24.72845 
1 1 1 -18 24 1  o 42.04080 15.10579 19.27816       16.44810  9.869167       
29.20540  23.64877       19.90501  42.75534 18.44386 45.76741 16.59361 
-3.012066      24.80976 
1 1 1 -18 24 2  o 86.57166 8.567747 80.04523       14.88520  69.51628       
32.59122  82.82044       16.73231  72.58428 20.92898 87.57629 9.550282 
-14.99200      23.00500 
1 1 1 -18 24 3  o 143.6687 6.462720 214.3599       18.88116  179.8790       
36.56028  226.9011       22.04909  125.7865 14.56233 147.3548 7.358260 
-21.56828      16.31580 
1 1 1 -18 24 4  f 37.22193 13.94371 12.72492       14.25067  -14.00745      
29.82068  20.63649       16.22296  36.93125 17.03983 43.74759 15.05968 
-6.816338      22.74093 
1 1 1 -18 24 5  o 80.47532 7.919172 68.26477       12.79181  54.58716       
18.59678  80.54773       17.62318  69.49845 13.64569 86.51913 10.21354 
-17.02068      17.04469 
1 1 1 -18 24 6  f 35.65859 12.48676 12.66285       11.17608  16.07616       
16.23834  9.590776       15.40526  40.75914 14.95543 36.05276 14.23283 
4.706379       20.64554 
1 1 1 -18 24 7  o 83.11099 7.524960 72.38959       12.57994  80.01492       
18.67401  66.05376       17.02198  86.07074 10.91441 78.04326 11.03321 
8.027481       15.51954 
1 1 1 -18 24 8  o 58.87891 10.48396 37.73687       12.09254  22.49263       
16.69690  54.55347       17.53686  45.60751 15.28354 70.11879 12.76935 
-24.51128      19.91589 
1 1 1 -18 24 9  o 99.79292 6.588222 103.3936       13.29440  92.53045       
18.47058  115.0708       19.15007  93.16873 9.900684 104.3462 9.116423 
-11.17750      13.45856 
1 1 1 -18 24 10 o 218.0558 4.714164 487.6241       20.90372  507.8267       
29.52956  467.3316       29.59521  221.6464 6.551563 212.4635 6.849923 
9.182861       9.478630 
1 1 1 -18 24 11 o 134.2296 7.084728 187.2694       19.27001  185.7037       
37.93784  187.8138       22.37070  129.1903 14.70270 133.9082 8.255510 
-4.717865      16.86187 
1 1 1 -18 24 12 f 172.9796 5.215960 307.5213       18.34765  305.8678       
25.55058  309.2817       26.36349  171.6270 7.320887 172.4851 7.516228 
-0.8580322     10.49233 
1 1 1 -18 24 13 o 56.15273 12.45782 35.26456       13.85333  49.01874       
18.85208  19.11869       20.42550  65.56330 14.52255 44.59070 16.69557 
20.97260       22.12796 
1 1 1 -18 24 14 f 106.8226 8.462508 120.2779       18.23245  92.56772       
21.52788  190.5797       34.28980  92.09955 11.76326 131.7158 12.97021 
-39.61623      17.51001 
1 1 1 -18 24 15 o 95.65324 8.404693 96.72785       16.18248  122.7298       
22.50586  68.89445       23.28498  106.7397 10.50464 77.18107 15.37591 
29.55867       18.62166 
1 1 1 -18 24 16 o 168.9384 5.733490 295.0172       19.69694  297.7762       
26.95546  291.8563       28.85257  168.5138 7.866109 166.1668 8.567801 
2.346924       11.63112 
1 1 1 -18 24 17 o 75.13661 11.15440 62.46594       16.52575  66.96252       
23.30760  57.92013       23.43482  75.01494 15.77919 68.93944 16.85695 
6.075500       23.08982 
1 1 1 -18 24 18 o 145.3807 7.680750 223.7316       22.62652  230.9637       
27.32243  207.9463       40.36586  146.4581 9.220991 132.8292 15.21869 
13.62888       17.79424 
1 1 1 -18 24 19 o 45.79192 15.16489 25.27422       16.44955  1.705338       
22.75148  51.08947       23.81104  35.73326 15.82148 62.35566 17.86275 
-26.62240      23.86204 
1 1 1 -18 24 20 o 46.00732 15.39791 26.43423       16.94752  6.838055       
24.09600  45.61764       23.84087  37.73639 16.50964 57.62117 18.19208 
-19.88478      24.56664 
1 1 1 -18 25 1  o 92.90851 7.525968 91.80936       14.09684  80.71570       
31.63228  94.55857       15.74699  77.43372 19.96157 93.83506 8.339327 
-16.40134      21.63351 
1 1 1 -18 25 2  o 38.74439 13.50506 16.14721       13.06606  -29.20469      
26.61659  30.54605       14.99749  30.51107 14.66751 50.86022 14.04001 
-20.34915      20.30414 
1 1 1 -18 25 3  o 35.50603 13.98152 10.11482       14.83095  6.812412       
29.50181  11.23165       17.15646  42.42319 18.41834 37.59251 14.96305 
4.830677       23.73032 
1 1 1 -18 25 4  o 60.90625 10.28894 40.67336       12.28938  34.14019       
17.43708  47.12140       17.32310  53.89905 15.23335 64.05378 13.71309 
-10.15473      20.49643 
1 1 1 -18 25 5  o 78.25734 8.096814 64.84116       12.69883  74.42851       
18.42071  56.15848       17.53009  82.45668 11.28165 70.81255 12.63725 
11.64413       16.94036 
1 1 1 -18 25 6  o 89.38126 7.287807 83.70232       13.13099  75.47174       
18.40180  92.24092       18.74296  83.21948 11.15457 92.64207 10.11327 
-9.422585      15.05665 
1 1 1 -18 25 7  o 71.99018 8.647766 55.11428       12.40653  89.24298       
17.57281  21.19709       17.51827  91.42013 9.595654 44.69106 15.63422 
46.72907       18.34408 
1 1 1 -18 25 8  o 77.94450 7.975893 64.05026       12.46394  57.22116       
17.49874  71.08279       17.75746  71.85386 12.42543 80.88837 11.08728 
-9.034515      16.65290 
1 1 1 -18 25 9  o 105.9208 6.336796 116.3907       13.58641  122.9248       
18.90640  109.4133       19.53729  107.9389 8.687043 101.3944 9.589288 
6.544579       12.93906 
1 1 1 -18 25 10 o 33.68821 12.83446 9.419725       12.19179  28.79422       
16.44334  -14.23507      18.16915  50.29926 14.96738 27.91949 13.02439 
22.37976       19.84079 
1 1 1 -18 25 11 o 132.7784 7.392891 183.9145       19.88234  201.8647       
38.38426  177.3324       23.24355  134.7138 14.22687 129.6570 8.868913 
5.056793       16.76489 
1 1 1 -18 25 12 o 53.79866 14.87916 33.30282       16.82537  34.92978       
30.20223  32.57067       20.26050  55.81029 20.40851 53.12873 16.77017 
2.681557       26.41488 
1 1 1 -18 25 13 o 157.5657 5.507556 255.8555       17.64705  242.4209       
24.15979  271.2215       25.83805  152.1505 7.835117 161.0998 7.887026 
-8.949326      11.11729 
1 1 1 -18 25 14 o 61.98286 13.84581 43.97837       17.01158  48.43947       
20.17898  33.01875       31.62832  64.28477 15.59546 54.69095 20.71109 
9.593826       25.92619 
1 1 1 -18 25 15 o 131.1297 6.458029 178.5430       17.22077  189.2501       
23.20823  165.4256       25.68779  133.7029 8.581223 123.9026 10.28824 
9.800339       13.39721 
1 1 1 -18 25 16 o 107.8799 7.908678 123.0446       17.22894  148.8645       
23.96887  95.44258       24.78230  117.3114 10.14738 91.49003 13.74530 
25.82133       17.08516 
1 1 1 -18 25 17 o 41.07304 14.84311 18.04138       15.90807  35.88829       
21.80063  -2.284641      23.26557  53.89025 17.43708 35.27345 15.78398 
18.61680       23.51990 
1 1 1 -18 25 18 o 40.57034 15.79439 16.36982       18.74838  14.31789       
23.17008  20.26112       31.90760  41.31763 17.04001 46.80901 19.70045 
-5.491383      26.04745 
1 1 1 -18 25 19 o 41.79197 15.17991 20.19914       16.66882  19.12337       
23.72796  21.24731       23.42157  43.01762 17.43141 43.96150 17.48772 
-0.9438820     24.69158 
1 1 1 -18 25 20 o 122.2917 8.828198 164.1876       21.80678  191.5621       
37.76265  150.4918       26.71050  123.5360 15.36390 113.9815 11.68919 
9.554482       19.30510 
1 1 1 -18 26 1  o 39.63851 13.31564 18.01018       12.67427  27.29690       
25.47875  14.95654       14.61018  47.79964 18.46703 37.82026 14.12818 
9.979385       23.25160 
1 1 1 -18 26 2  o 150.8014 5.417406 235.9122       16.61301  245.6910       
35.42638  233.1556       18.80943  148.0741 11.86477 149.4656 6.188466 
-1.391510      13.38170 
1 1 1 -18 26 3  o 57.32726 13.15835 38.19672       15.01490  98.55952       
32.10674  21.29988       16.98690  88.62488 18.41647 43.69457 15.38806 
44.93031       23.99914 
1 1 1 -18 26 4  o 56.94200 12.96224 37.28785       14.67257  16.72144       
31.40522  43.03052       16.59509  46.79902 19.61248 60.88415 13.73103 
-14.08513      23.94140 
1 1 1 -18 26 5  f 106.8391 6.160846 118.7453       13.32834  128.3268       
18.85056  109.1667       18.84767  109.9842 8.494173 100.9863 9.281798 
8.997894       12.58184 
1 1 1 -18 26 6  o 55.77399 10.78123 34.41047       11.78547  38.42623       
16.68722  30.41395       16.64720  57.55996 14.31603 51.15675 15.01792 
6.403210       20.74817 
1 1 1 -18 26 7  o 72.13052 8.571185 55.43174       12.32611  79.59285       
17.15906  29.67135       17.71786  85.95317 10.00419 50.66455 15.63408 
35.28862       18.56094 
1 1 1 -18 26 8  o 80.06937 7.718762 67.54995       12.41231  62.97712       
17.63752  72.03683       17.47097  75.53677 11.87406 81.39539 10.82354 
-5.858620      16.06681 
1 1 1 -18 26 9  o 105.5767 6.427602 115.8737       13.73396  115.9105       
18.62154  115.8298       20.33716  104.5868 8.838386 104.1163 9.717832 
0.4704514      13.13595 
1 1 1 -18 26 10 o 32.36640 12.80343 7.391492       12.48985  -0.1972684     
16.86806  16.60159       18.58282  31.88920 13.88599 42.01744 15.88400 
-10.12824      21.09792 
1 1 1 -18 26 11 o 105.4760 6.761792 115.9374       14.42691  111.4540       
19.53243  121.3195       21.40080  102.2089 9.506557 106.4045 10.00811 
-4.195633      13.80351 
1 1 1 -18 26 12 o 183.8900 6.212486 350.0849       23.23138  401.4543       
43.76698  329.9345       27.41169  192.8012 11.21153 177.7421 7.583927 
15.05908       13.53567 
1 1 1 -18 26 13 f 69.15762 10.48125 52.19814       14.27828  60.55593       
19.68202  42.91324       20.74496  72.93167 13.77584 59.98854 16.49314 
12.94313       21.48947 
1 1 1 -18 26 14 o 62.75714 11.86439 44.09838       14.58645  63.83835       
20.16292  22.42436       21.12759  74.75578 13.77087 46.10020 17.03520 
28.65558       21.90513 
1 1 1 -18 26 15 o 48.85947 14.78049 27.90005       15.93821  22.14025       
18.41873  45.06844       31.79954  44.91692 16.00138 59.50472 21.04354 
-14.58780      26.43624 
1 1 1 -18 26 16 o 39.84032 14.31791 16.80036       14.77774  33.84006       
20.20100  -2.815785      21.67449  52.68929 16.75772 34.02749 15.22998 
18.66180       22.64450 
1 1 1 -18 26 17 o 55.02800 15.18765 37.03392       17.55143  26.73050       
20.60983  64.22903       33.48335  47.43209 16.92332 67.34689 21.59106 
-19.91479      27.43305 
1 1 1 -18 26 18 o 53.59842 14.17504 35.14651       15.68703  51.56113       
22.31913  19.12117       22.05289  62.96910 17.02293 42.74084 16.97949 
20.22827       24.04336 
1 1 1 -18 26 19 o 31.48648 13.64645 3.341069       16.13938  -9.224239      
22.70825  16.16708       22.94261  31.49926 14.64954 40.86858 16.91420 
-9.369320      22.37631 
1 1 1 -18 26 20 o 66.60909 14.59820 56.48397       19.22770  51.03969       
32.32125  59.46604       23.92086  56.24305 21.01302 65.16898 17.62549 
-8.925934      27.42635 
1 1 1 -18 27 1  o 34.53548 13.57878 11.01998       13.96905  22.69030       
25.79891  6.179338       16.61543  44.92823 18.18648 33.33143 14.13214 
11.59680       23.03184 
1 1 1 -18 27 2  o 90.91983 8.903230 89.85339       16.24982  42.78705       
33.00983  104.9071       18.66849  55.79868 21.15186 97.87119 9.499652 
-42.07251      23.18717 
1 1 1 -18 27 3  o 104.3905 8.919918 117.5567       18.75356  164.6402       
35.28461  99.01985       22.13953  117.8809 15.06389 93.71698 11.88416 
24.16392       19.18734 
1 1 1 -18 27 4  o 51.27379 14.08083 31.08373       15.13058  85.05697       
31.23037  14.52919       17.29603  81.36023 19.18775 39.33985 15.21065 
42.02038       24.48537 
1 1 1 -18 27 5  o 54.20429 11.13937 32.98982       11.86801  38.20417       
16.50235  27.40380       17.08037  56.98347 14.27203 48.36258 15.41201 
8.620888       21.00526 
1 1 1 -18 27 6  o 96.76821 6.677204 97.96316       13.05910  76.16833       
18.07271  121.7768       18.89118  83.29945 10.93319 106.8969 8.767643 
-23.59742      14.01450 
1 1 1 -18 27 7  o 31.70331 12.42020 7.638695       11.64958  8.613893       
16.25169  6.607994       16.70777  35.66726 14.43554 34.87766 14.43436 
0.7896042      20.41410 
1 1 1 -18 27 8  o 81.46095 11.50996 73.11407       18.53562  0.000000       
0.000000  73.11407       18.53562  ?        ?        81.46095 11.50996 
0.000000       11.50996 
1 1 1 -18 27 9  o 131.3931 5.669883 178.3652       15.14950  183.2101       
20.80768  172.8999       22.09992  132.0349 7.784106 127.8259 8.551316 
4.209030       11.56362 
1 1 1 -18 27 10 o 23.66858 10.81925 -6.435606      11.64239  6.275954       
15.87323  -21.23613      17.12791  34.16740 14.09902 24.72282 11.85345 
9.444580       18.41973 
1 1 1 -18 27 11 o 72.01867 9.019521 55.64413       12.91960  57.91179       
17.84606  53.14680       18.72797  71.77343 12.69149 68.01377 14.00717 
3.759659       18.90171 
1 1 1 -18 27 12 o 70.06997 10.27051 53.56577       14.20001  49.63536       
19.84724  57.68768       20.32496  64.92535 15.28585 70.48106 14.65865 
-5.555710      21.17860 
1 1 1 -18 27 13 o 100.0124 9.575997 107.5837       19.23745  57.72132       
37.34592  125.5931       22.44427  65.70200 22.83601 107.6199 10.38455 
-41.91787      25.08630 
1 1 1 -18 27 14 o 39.76904 13.94312 16.87097       13.93711  23.10218       
18.89367  9.432981       20.64229  45.58004 16.20970 38.60943 16.01681 
6.970615       22.78799 
1 1 1 -18 27 15 o 65.00260 13.31791 48.99936       17.01245  42.53003       
20.51738  63.23369       30.43413  58.75976 16.49514 68.91850 20.32674 
-10.15874      26.17759 
1 1 1 -18 27 16 o 71.25520 11.00131 56.89853       15.42755  78.73010       
20.66396  29.40440       23.18948  82.87535 12.66324 49.38235 17.90946 
33.49300       21.93414 
1 1 1 -18 27 17 o 72.92900 13.09119 62.51309       18.70124  74.88976       
22.63667  35.90554       33.19043  78.65734 14.69242 52.57599 20.84818 
26.08135       25.50518 
1 1 1 -18 27 18 o 73.06944 11.45126 61.59956       16.45626  77.95178       
23.56011  46.02169       22.99551  79.02301 15.21336 58.10089 17.79150 
20.92212       23.40906 
1 1 1 -18 27 19 o 53.09896 14.94006 36.54927       16.81122  42.93528       
24.55180  30.91233       23.06693  54.49560 18.53174 47.75622 17.76950 
6.739380       25.67451 
1 1 1 -18 28 1  o 82.89434 13.97097 84.42720       22.71325  94.78890       
31.57074  73.30970       32.70188  81.56461 19.32966 68.36447 21.26376 
13.20014       28.73644 
1 1 1 -18 28 2  o 44.53134 15.44207 24.20903       17.07234  32.85344       
29.91100  20.03210       20.79180  50.23425 19.83197 42.54009 16.61294 
7.694157       25.87077 
1 1 1 -18 28 3  o 54.40898 11.72540 34.26129       12.59081  40.93956       
31.88478  33.02754       13.70457  54.98812 20.80178 52.79636 12.87933 
2.191761       24.46613 
1 1 1 -18 28 4  f 52.03698 12.39334 31.51298       12.92680  47.08281       
31.61035  28.38629       14.16542  58.83905 20.96231 48.87010 13.70141 
9.968945       25.04291 
1 1 1 -18 28 5  o 62.93437 9.706921 43.51390       12.02332  58.61523       
17.05590  28.59658       16.95167  71.89073 12.09627 48.91767 15.32495 
22.97306       19.52367 
1 1 1 -18 28 6  f 56.17058 10.95159 35.36579       12.06001  22.33762       
16.72812  49.46594       17.40273  44.43951 15.29267 65.27292 13.55421 
-20.83341      20.43483 
1 1 1 -18 28 7  o 80.48655 7.825128 68.77450       12.64563  82.98280       
17.85135  54.46297       17.91608  87.22755 10.25998 68.87659 13.27277 
18.35096       16.77598 
1 1 1 -18 28 8  o 57.12677 10.79686 36.30633       12.08304  54.15437       
16.78565  17.11182       17.40729  69.25610 12.37272 41.29504 15.42236 
27.96106       19.77203 
1 1 1 -18 28 9  o 182.9887 4.877848 344.9581       18.15114  346.1515       
25.23340  343.6786       26.12921  182.1810 6.811163 181.3421 7.085593 
0.8388824      9.828406 
1 1 1 -18 28 10 o 61.42899 10.79169 41.80122       12.98883  64.39611       
17.63263  14.99406       19.20602  76.02601 11.78679 40.85650 15.96369 
35.16951       19.84358 
1 1 1 -18 28 11 o 72.58674 9.367879 56.98300       13.50502  42.27296       
18.11017  75.41040       20.26972  59.76085 14.94202 81.86755 12.57780 
-22.10670      19.53112 
1 1 1 -18 28 12 f 31.27102 12.84586 5.430767       13.10360  -4.967223      
17.91136  17.40413       19.22038  30.43696 13.71561 42.12866 16.09936 
-11.69170      21.14964 
1 1 1 -18 28 13 o 84.15015 11.38543 78.67547       18.98274  90.20495       
36.71856  74.47003       22.17615  81.64767 21.73167 80.08574 14.13362 
1.561935       25.92344 
1 1 1 -18 28 14 f 50.83835 13.74916 30.50582       14.55646  12.38583       
19.61402  52.72242       21.71832  39.18529 15.85892 65.43248 16.36449 
-26.24719      22.78820 
1 1 1 -18 28 15 o 99.13250 8.902239 106.1683       17.75465  94.17571       
20.99413  136.2849       33.26930  91.54815 11.53303 106.1812 15.89691 
-14.63304      19.63982 
1 1 1 -18 28 16 o 36.36721 14.63284 11.18588       16.59341  14.97704       
19.77946  2.178181       30.48842  39.93130 16.00801 39.85986 17.93438 
0.7144165E-01  24.03952 
1 1 1 -18 28 17 o 36.75232 14.20127 13.63166       15.06927  19.42045       
20.55515  6.905318       22.15726  42.02480 16.48818 36.81998 15.97376 
5.204815       22.95694 
1 1 1 -18 28 18 o 62.74952 12.89079 47.74327       15.89877  55.70998       
22.46353  39.74710       22.50503  64.10909 16.96638 53.33754 17.74145 
10.77155       24.54826 
1 1 1 -18 28 19 o 68.17746 13.76935 58.38533       18.43262  93.04007       
29.99050  37.34727       23.36712  80.25016 18.72050 50.64249 18.02504 
29.60767       25.98768 
1 1 1 -18 29 1  o 31.30527 12.98685 7.317617       13.57124  9.303391       
29.33633  6.776940       15.30770  39.28178 17.64038 32.05801 13.57686 
7.223770       22.26015 
1 1 1 -18 29 2  o 121.6620 7.363327 158.9555       18.13135  175.5433       
36.67610  153.5903       20.85850  117.6309 15.72609 118.3234 8.730507 
-0.6924973     17.98699 
1 1 1 -18 29 3  o 48.84068 16.73225 30.59766       20.01662  62.82766       
29.86026  4.295763       26.97472  65.80938 20.29427 38.35748 17.09184 
27.45190       26.53278 
1 1 1 -18 29 4  o 41.42332 14.98189 19.39573       16.21170  25.52334       
31.48478  17.18500       18.91136  48.18112 19.86623 40.82321 15.87122 
7.357910       25.42760 
1 1 1 -18 29 5  o 25.07607 11.07528 -1.467676      11.08126  20.82703       
15.68213  -23.70072      15.66042  42.61368 14.79869 22.27558 10.83720 
20.33810       18.34247 
1 1 1 -18 29 6  o 79.43350 7.880671 67.41958       12.56169  45.68832       
16.63659  96.24045       19.15911  62.35312 13.51093 93.58637 10.23406 
-31.23326      16.94937 
1 1 1 -18 29 7  o 25.74634 11.32138 -1.206874      11.45881  -6.610954      
15.29471  5.707490       17.30041  27.24812 12.43419 34.38074 14.48998 
-7.132629      19.09368 
1 1 1 -18 29 8  o 53.32001 11.07474 32.07286       11.61560  15.66507       
15.93418  50.67978       16.96844  39.45779 14.75160 66.27737 13.05445 
-26.81958      19.69844 
1 1 1 -18 29 9  o 61.10782 10.45872 41.42919       12.52923  37.75931       
16.67789  46.18368       18.98311  56.36311 14.47539 62.03952 15.17273 
-5.676407      20.97019 
1 1 1 -18 29 10 o 60.41907 10.68414 40.65633       12.64677  56.73679       
17.13547  21.41750       18.74288  70.67085 12.37440 44.22130 16.09138 
26.44955       20.29922 
1 1 1 -18 29 11 o 82.11292 8.042538 71.92387       13.25698  60.17390       
17.63333  87.19927       20.10537  72.79282 12.35392 88.50065 11.43930 
-15.70782      16.83677 
1 1 1 -18 29 12 o 48.04900 13.26543 27.02834       13.38746  25.29652       
17.61884  29.39408       20.59252  46.48736 15.69922 49.50140 16.97119 
-3.014042      23.11897 
1 1 1 -18 29 13 o 42.04372 15.50119 19.09243       17.47499  20.83506       
33.52589  18.44236       20.47663  47.96106 20.19003 42.64342 16.53279 
5.317638       26.09541 
1 1 1 -18 29 14 o 27.07653 12.09941 -2.737504      13.62115  4.126345       
18.51534  -10.83435      20.10971  34.17266 14.71356 29.81268 13.83858 
4.359976       20.19889 
1 1 1 -18 29 15 o 37.14040 14.58941 12.97019       16.11172  22.29747       
19.08745  -10.14587      30.04880  43.87917 16.19634 36.25077 16.85684 
7.628399       23.37679 
1 1 1 -18 29 16 o 116.4395 8.381709 147.0254       19.71376  148.4497       
23.31063  143.4485       36.94059  115.4845 10.02558 104.2779 18.07551 
11.20661       20.66970 
1 1 1 -18 29 17 o 62.45758 12.95493 47.32632       15.91446  43.84484       
22.13260  51.05336       22.89988  56.24081 17.49329 60.73021 17.55283 
-4.489395      24.78138 
1 1 1 -18 29 18 o 41.92009 14.75950 22.24675       15.62659  3.556188       
22.18138  40.66334       22.01820  34.53119 15.43468 53.22716 17.54105 
-18.69597      23.36488 
1 1 1 -18 30 1  o 69.23504 10.44800 56.16870       14.25221  72.34788       
28.97211  51.00349       16.36989  66.97441 19.85328 63.59855 13.09375 
3.375862       23.78232 
1 1 1 -18 30 2  o 66.38704 11.27985 51.95697       14.68297  46.66816       
31.78857  53.39134       16.55473  53.69681 20.66043 66.06584 12.78452 
-12.36903      24.29604 
1 1 1 -18 30 3  o 30.72454 12.61224 6.779126       12.61994  34.65522       
28.15624  -0.2288395     14.11740  49.89890 19.37526 28.12269 12.45680 
21.77621       23.03416 
1 1 1 -18 30 4  o 30.96412 12.33313 7.788643       11.66289  4.320243       
30.43159  8.385792       12.62703  39.77782 17.90567 32.00975 12.80516 
7.768078       22.01330 
1 1 1 -18 30 5  o 58.97334 13.77603 42.05844       16.22239  13.53938       
33.55500  50.75743       18.53207  44.26802 19.42185 64.42247 14.49643 
-20.15445      24.23540 
1 1 1 -18 30 6  o 111.7530 6.192258 131.0569       14.01713  113.0625       
18.23432  157.0517       21.91607  102.1158 8.869113 120.3270 9.022385 
-18.21129      12.65166 
1 1 1 -18 30 7  o 123.8490 6.715842 161.4940       16.85070  168.4668       
19.61175  141.8279       32.93622  125.8294 7.701555 108.6608 15.33162 
17.16853       17.15729 
1 1 1 -18 30 8  o 58.51350 12.11747 39.47816       13.94395  34.91547       
16.45144  51.11802       26.27647  53.67952 14.65827 62.08165 19.01976 
-8.402130      24.01283 
1 1 1 -18 30 9  o 179.8815 4.956810 334.6033       18.13177  347.8262       
24.54560  318.7217       26.90026  182.2058 6.624606 173.5897 7.620457 
8.616028       10.09736 
1 1 1 -18 30 10 o 34.48534 12.74424 11.73186       11.82500  12.12174       
15.64390  11.21215       18.06162  36.76440 14.39563 37.52480 15.20737 
-0.7603912     20.94034 
1 1 1 -18 30 11 o 54.38407 12.07937 34.19632       13.01128  45.55635       
17.45444  19.98882       19.51978  61.70935 14.20368 43.07216 16.28028 
18.63719       21.60537 
1 1 1 -18 30 12 o 92.43317 7.817256 91.28564       14.55603  76.87090       
19.17423  110.8922       22.36221  82.30868 11.79268 99.49523 11.25017 
-17.18655      16.29827 
1 1 1 -18 30 13 o 124.0230 6.494361 161.8423       16.32215  180.2336       
22.45135  141.2251       23.77115  129.3012 8.587481 112.8417 10.47891 
16.45947       13.54815 
1 1 1 -18 30 14 o 34.79039 14.58301 7.732059       17.36924  32.29059       
32.61139  -1.993539      20.52231  50.66061 20.46806 32.72338 14.71962 
17.93723       25.21128 
1 1 1 -18 30 15 o 47.93919 14.83472 28.86991       15.93966  18.24494       
18.69649  57.14123       30.49785  40.76611 15.79981 61.84536 20.65608 
-21.07924      26.00591 
1 1 1 -18 30 16 o 34.16172 14.31378 8.489832       16.72296  20.77148       
20.10075  -19.12367      30.14011  42.02732 16.35620 33.25170 15.88364 
8.775616       22.79946 
1 1 1 -18 30 17 o 63.48817 12.84288 49.47821       16.01131  59.40387       
22.65753  39.57726       22.62932  65.57365 16.88874 52.32579 17.79142 
13.24786       24.53088 
1 1 1 -18 30 18 o 69.18375 12.91874 59.53654       17.50664  96.43941       
27.73020  35.08136       22.57399  83.30710 16.94575 48.69252 17.66852 
34.61457       24.48132 
1 1 1 -18 31 1  o 24.47947 11.03607 -1.503700      11.61200  37.05995       
30.51425  -8.033884      12.55673  46.69964 19.43164 22.70387 10.66717 
23.99577       22.16703 
1 1 1 -18 31 2  o 49.79859 11.95428 30.66125       11.95232  43.75703       
28.89368  27.95767       13.12823  51.46576 19.72215 46.59511 13.23495 
4.870651       23.75136 
1 1 1 -18 31 3  o 122.8292 15.31175 194.3815       37.41481  194.3815       
37.41481  0.000000       0.000000  122.8292 15.31175 ?        ?        
0.000000       15.31175 
1 1 1 -18 31 4  o 30.26712 12.69929 5.458932       13.19259  39.31298       
31.76867  -1.595766      14.50217  51.59588 20.41662 27.77598 12.44303 
23.81990       23.90957 
1 1 1 -18 31 5  o 97.52354 8.134959 103.1849       15.98580  170.7418       
37.78288  88.45465       17.64273  115.4479 16.56870 88.91096 9.927442 
26.53690       19.31517 
1 1 1 -18 31 6  o 91.97756 6.810154 89.88705       12.64715  77.83930       
16.49685  107.0628       19.69727  83.60045 9.895808 98.07560 10.01688 
-14.47515      14.08066 
1 1 1 -18 31 7  o 106.9735 6.187312 120.3753       13.40205  124.5755       
17.77135  114.8364       20.40766  107.5012 8.190994 101.8128 9.985395 
5.688400       12.91513 
1 1 1 -18 31 8  o 46.69389 12.30759 25.71648       11.85177  22.79642       
15.81132  29.46113       17.90514  43.75856 14.87168 48.65274 15.80768 
-4.894180      21.70368 
1 1 1 -18 31 9  o 28.87093 12.04508 4.148368       11.76910  3.642532       
15.21518  4.901829       18.56960  31.38946 13.42219 34.33537 14.75879 
-2.945910      19.94936 
1 1 1 -18 31 10 o 43.38604 13.22309 22.29194       12.72169  23.62170       
16.74148  20.47485       19.57028  44.49009 15.29942 42.93123 16.28347 
1.558857       22.34332 
1 1 1 -18 31 11 o 54.76049 12.38021 35.26583       13.46260  33.85369       
17.57603  37.27042       20.94094  51.99724 15.47468 53.67323 17.06094 
-1.675983      23.03348 
1 1 1 -18 31 12 o 30.04429 12.50585 5.034492       12.64537  21.78548       
16.25807  -20.61761      20.11917  42.91619 15.05869 26.87666 12.87573 
16.03953       19.81284 
1 1 1 -18 31 13 o 39.18880 14.71200 16.81220       15.88091  37.71490       
18.41741  -43.78407      31.35814  54.21550 15.76216 30.13661 14.80259 
24.07889       21.62318 
1 1 1 -18 31 14 o 60.80236 21.92616 58.95983       34.68612  58.95983       
34.68612  0.000000       0.000000  60.80236 21.92616 ?        ?        
0.000000       21.92616 
1 1 1 -18 31 15 o 26.79523 12.40962 -7.415648      16.03683  -0.2232982     
18.17340  -32.72229      34.08929  31.08711 13.92759 32.71454 15.93213 
-1.627430      21.16154 
1 1 1 -18 31 16 o 83.30116 10.88170 80.73321       17.99265  87.28675       
21.60512  65.90147       32.50235  84.52926 12.98417 62.63947 21.32210 
21.88979       24.96439 
1 1 1 -18 31 17 o 34.86455 14.61457 10.92501       17.44540  -2.020603      
22.18483  31.90145       28.23975  32.17297 14.79063 46.37662 18.93213 
-14.20366      24.02474 
1 1 1 -18 32 1  o 74.99841 8.378584 64.12251       12.55995  102.8290       
35.16082  58.46107       13.44716  72.73298 21.94221 70.39853 9.646993 
2.334450       23.96925 
1 1 1 -18 32 2  o 28.76079 11.82723 6.810701       11.12252  0.4115430      
29.93296  7.835784       11.98030  35.35221 16.56491 29.93908 12.28898 
5.413137       20.62560 
1 1 1 -18 32 3  f 72.50852 8.850441 59.38794       12.77901  45.51169       
32.17696  61.98645       13.92421  51.27722 20.46599 73.52575 9.537473 
-22.24853      22.57919 
1 1 1 -18 32 4  o 20.76052 9.996995 -14.84585      12.48920  32.81017       
28.70326  -25.97540      13.87110  47.47630 19.19514 19.44234 9.606034 
28.03396       21.46461 
1 1 1 -18 32 5  o 48.32640 13.11108 29.06992       13.21213  54.24644       
32.44576  24.06537       14.46580  57.68620 21.14407 43.63566 14.21009 
14.05054       25.47544 
1 1 1 -18 32 6  o 118.9671 7.382794 152.1282       17.77253  158.3553       
34.49992  149.8788       20.73561  111.7564 15.60663 116.7758 8.796584 
-5.019379      17.91499 
1 1 1 -18 32 7  o 43.61962 14.69591 23.47774       15.43847  4.706999       
31.18960  29.56933       17.76783  39.83729 18.01161 47.94224 15.75527 
-8.104950      23.93004 
1 1 1 -18 32 8  f 28.80501 11.96215 4.776415       11.53139  -3.410752      
14.80446  17.40614       18.38750  27.49417 12.42204 40.15982 15.63968 
-12.66565      19.97264 
1 1 1 -18 32 9  o 113.7752 6.142627 136.4071       14.15928  131.7901       
18.77090  142.5024       21.56761  110.1317 8.445839 113.6722 9.415066 
-3.540520      12.64815 
1 1 1 -18 32 10 f 32.70762 12.70058 9.888018       12.09874  9.102347       
15.58605  11.07923       19.19159  34.22083 14.02822 37.14618 15.42957 
-2.925346      20.85336 
1 1 1 -18 32 11 o 42.54255 13.08645 21.81159       12.42509  22.54155       
16.46044  20.84478       18.94352  43.07666 15.15004 42.31810 16.02786 
0.7585526      22.05484 
1 1 1 -18 32 12 o 93.09718 7.680537 93.55569       14.41070  97.63811       
19.19905  88.28781       21.80916  93.02023 10.32378 86.20740 12.83184 
6.812836       16.46926 
1 1 1 -18 32 13 o 75.50957 10.62433 65.31242       15.86261  66.38704       
19.00655  62.84591       28.79518  74.09754 13.09270 64.70385 19.92502 
9.393692       23.84167 
1 1 1 -18 32 14 o 53.31873 14.45728 36.66795       16.06997  35.52268       
19.37431  39.19323       28.76906  50.98183 16.43210 51.13447 19.65957 
-0.1526375     25.62250 
1 1 1 -18 32 15 f 44.27618 14.25637 25.42396       14.58618  14.46773       
19.68384  38.76715       21.72246  37.77565 15.65323 51.71822 17.43203 
-13.94257      23.42860 
1 1 1 -18 32 16 o 60.05985 14.49203 47.70712       17.49646  35.34029       
20.90578  76.62290       31.96721  49.04875 17.08353 66.85127 21.06125 
-17.80252      27.11869 
1 1 1 -18 32 17 o 36.51785 14.45188 15.76532       15.91940  15.24936       
25.31577  16.10280       20.47405  38.54484 16.89131 37.74414 15.82758 
0.8006973      23.14797 
1 1 1 -18 33 1  o 92.45449 7.586569 96.30225       14.13774  0.000000       
0.000000  96.30225       14.13774  ?        ?        92.45449 7.586569 
0.000000       7.586569 
1 1 1 -18 33 2  o 29.76541 12.07857 8.649949       11.41013  5.667181       
30.43512  9.137735       12.30779  35.76220 16.73989 30.50920 12.48160 
5.252998       20.88095 
1 1 1 -18 33 3  o 47.79282 11.97872 28.97552       11.61914  -3.762371      
30.98973  34.33047       12.53344  34.63530 16.41904 52.08909 12.06880 
-17.45379      20.37746 
1 1 1 -18 33 4  o 22.11461 10.27440 -6.096670      11.12388  -3.284375      
28.88526  -6.586379      12.05354  34.61520 16.23643 22.88699 10.65381 
11.72821       19.41971 
1 1 1 -18 33 5  o 69.49611 10.11017 55.90852       13.86907  127.0051       
35.55886  43.15248       15.06196  91.85120 19.63279 58.64196 12.97420 
33.20925       23.53245 
1 1 1 -18 33 6  o 91.77662 10.63986 97.42919       19.48890  76.64927       
31.46948  110.3570       24.82161  69.09396 20.73919 94.77502 13.24064 
-25.68106      24.60546 
1 1 1 -18 33 7  o 55.26561 11.88261 36.71754       12.95723  48.25732       
15.65559  11.62410       23.08612  62.94911 12.66866 38.13488 16.42456 
24.81424       20.74273 
1 1 1 -18 33 8  o 34.19733 12.73002 12.55781       11.84110  -8.154637      
15.24412  44.06563       18.80164  25.80646 12.00225 57.72675 15.63173 
-31.92028      19.70799 
1 1 1 -18 33 9  o 24.85431 11.14975 -2.204509      11.68747  -1.387978      
15.21271  -3.380676      18.25807  28.41061 12.73458 29.96594 13.63989 
-1.555334      18.66055 
1 1 1 -18 33 10 o 88.84453 7.599361 85.52607       13.59753  71.44858       
17.57113  106.5417       21.46884  78.29368 11.36859 95.94321 11.21546 
-17.64953      15.96970 
1 1 1 -18 33 11 o 34.90438 15.25844 6.059935       20.54562  -15.80075      
33.16754  19.67113       26.17155  35.15306 16.75589 42.51100 17.86416 
-7.357937      24.49261 
1 1 1 -18 33 12 o 41.33182 16.64062 19.90881       21.47371  55.52917       
35.75950  -0.1802615     26.85482  56.87215 21.90425 35.71199 16.36415 
21.16016       27.34193 
1 1 1 -18 33 13 o 47.88680 17.39967 32.47048       21.90293  7.618242       
36.25161  46.75858       27.48728  40.73920 18.79355 54.54161 19.53509 
-13.80241      27.10751 
1 1 1 -18 33 14 o 28.81943 13.25519 -4.230634      17.84648  18.16492       
36.52197  -11.25567      20.45490  42.78782 19.40468 28.49762 13.45848 
14.29020       23.61508 
1 1 1 -18 33 15 o 71.34583 13.50003 65.00688       18.86904  30.96807       
37.72832  76.36099       21.78997  45.50147 20.24892 76.16900 14.59919 
-30.66753      24.96307 
1 1 1 -18 33 16 o 35.64290 15.02846 13.07539       18.62321  40.28206       
38.17801  4.580186       21.33352  47.09053 20.68701 33.22475 14.97054 
13.86578       25.53565 
1 1 1 -18 34 2  o 33.26260 12.83149 13.93078       12.28654  0.000000       
0.000000  13.93078       12.28654  ?        ?        33.26260 12.83149 
0.000000       12.83149 
1 1 1 -18 34 3  o 94.71498 8.133039 101.6709       15.51278  167.8378       
33.75488  83.95416       17.46658  108.1816 15.81047 83.22134 10.55853 
24.96024       19.01193 
1 1 1 -18 34 4  o 66.37379 9.408469 51.36027       12.34341  90.15484       
35.03115  45.86100       13.18929  67.59344 22.11820 61.30962 10.98226 
6.283817       24.69463 
1 1 1 -18 34 5  o 40.21249 12.45579 20.68309       11.23424  47.71485       
29.94291  16.25452       12.11960  51.61618 19.99770 36.20346 12.97111 
15.41273       23.83606 
1 1 1 -18 34 6  o 24.82805 11.85569 -13.87347      16.76135  -37.23459      
28.89607  -2.027514      20.57676  28.26033 13.94436 31.02665 14.25656 
-2.766325      19.94229 
1 1 1 -18 34 7  o 32.31211 12.61852 10.67814       11.99532  4.404198       
14.33297  25.34585       21.91528  29.88258 12.90571 43.23217 17.00480 
-13.34958      21.34761 
1 1 1 -18 34 8  o 32.62700 12.74205 10.82367       12.23175  18.52172       
14.62510  -7.094656      22.31296  38.78865 14.19905 30.87549 14.41343 
7.913157       20.23265 
1 1 1 -18 34 9  o 66.72092 10.89401 52.39666       14.27074  43.56139       
17.11563  72.54804       25.84851  57.56434 14.59961 70.84628 17.92717 
-13.28193      23.11995 
1 1 1 -18 34 10 o 20.87654 10.06625 -15.31784      12.76283  -17.79146      
14.95504  -8.686744      24.48578  22.38741 10.81982 31.76275 14.91459 
-9.375332      18.42589 
1 1 1 -18 34 11 o 39.26080 13.76197 19.25036       13.57697  20.71706       
16.10114  15.64132       25.25701  40.42179 14.88297 39.66698 17.13164 
0.7548103      22.69352 
1 1 1 -18 34 12 o 69.47861 10.56167 56.63667       14.45235  43.59784       
16.83583  93.15613       28.17588  57.44506 14.43091 80.63407 17.67122 
-23.18901      22.81498 
1 1 1 -18 34 13 o 56.81710 12.37089 40.33836       13.88803  61.60386       
19.36320  17.80882       19.93038  68.48470 14.36242 38.78201 15.87660 
29.70269       21.40901 
1 1 1 -18 34 14 o 109.1278 7.215454 130.2905       15.92181  156.6192       
22.78819  105.1795       22.25497  116.4544 9.711397 92.35925 12.14377 
24.09513       15.54935 
1 1 1 -18 34 15 o 29.63457 13.29018 2.073952       16.59224  11.21211       
35.66923  -0.4493972     18.74361  38.98274 18.20667 29.95390 13.70564 
9.028843       22.78876 
1 1 1 -18 34 16 o 35.13393 14.11121 14.87830       15.40127  26.92317       
23.13739  5.295423       20.63770  41.91342 17.12642 32.55516 14.69143 
9.358261       22.56441 
1 1 1 -18 35 3  o 26.60707 11.45125 4.599205       11.20547  -7.719091      
34.53509  6.048649       11.84639  32.98657 16.05833 27.83876 11.87210 
5.147804       19.97040 
1 1 1 -18 35 4  o 55.89017 10.82598 38.81124       11.85976  64.56638       
33.33307  35.07833       12.69015  53.90599 21.03945 51.68007 12.26013 
2.225922       24.35096 
1 1 1 -18 35 5  o 56.59985 10.32384 38.75679       11.44467  -8.529497      
29.68467  47.01271       12.40359  32.51024 15.59183 62.67580 10.07305 
-30.16557      18.56264 
1 1 1 -18 35 6  o 120.6299 7.188011 159.9061       17.55255  192.0598       
37.21122  150.7044       19.90630  116.5343 16.13544 115.3414 8.547829 
1.192841       18.25973 
1 1 1 -18 35 7  o 110.3712 5.745127 130.0363       12.85002  130.8644       
16.76901  128.8582       20.00040  108.7861 7.628491 105.8000 9.393824 
2.986031       12.10115 
1 1 1 -18 35 8  o 38.99077 12.83866 19.47931       11.79624  7.458066       
13.68172  54.30107       23.28581  30.74454 12.91778 59.12333 17.86102 
-28.37879      22.04280 
1 1 1 -18 35 9  o 71.02917 9.593514 58.37738       13.50236  53.36065       
15.94425  71.09712       25.38827  65.28372 12.46478 68.45426 17.99925 
-3.170540      21.89392 
1 1 1 -18 35 10 o 41.83615 13.60394 23.05913       13.25984  19.42224       
15.89970  31.36611       24.02957  38.86883 14.69287 45.40751 17.82348 
-6.538673      23.09885 
1 1 1 -18 35 11 o 25.46315 11.46464 -1.186254      12.48395  11.14166       
16.62068  -17.14413      18.91000  34.09267 14.27650 25.49879 12.28434 
8.593889       18.83411 
1 1 1 -18 35 12 o 31.10674 12.62634 9.275904       12.47217  12.97892       
16.30761  4.057518       19.35891  34.81527 14.31954 32.06164 14.36870 
2.753628       20.28568 
1 1 1 -18 35 13 o 25.68427 11.59212 -0.9791117     12.85313  -1.267506      
16.97763  -0.5918826     19.67288  28.55880 13.05874 30.38783 13.95449 
-1.829033      19.11174 
1 1 1 -18 35 14 o 18.10949 9.006946 -26.27152      12.98023  -17.86857      
17.65355  -36.16092      19.15142  24.03749 11.65062 21.68146 10.80878 
2.356030       15.89234 
1 1 1 -18 35 15 o 32.32343 13.57038 10.54452       15.07952  8.779909       
23.77284  11.73253       19.50594  34.51205 15.65310 34.32669 14.93989 
0.1853561      21.63839 
1 1 1 -18 36 4  o 32.27126 12.38310 13.21032       11.40018  -54.66149      
32.49656  22.73550       12.17389  26.08855 13.15269 40.00227 13.03631 
-13.91372      18.51860 
1 1 1 -18 36 5  o 22.19745 10.23349 -3.462047      10.72341  8.083787       
32.43333  -4.879094      11.36242  35.60307 16.85443 22.21926 10.34328 
13.38381       19.77512 
1 1 1 -18 36 6  o 70.62288 8.186473 57.04576       11.53888  118.8249       
32.37761  48.05761       12.34978  83.82909 19.38064 63.18695 9.939528 
20.64215       21.78080 
1 1 1 -18 36 7  o 40.52126 14.31033 23.22947       14.70069  41.67516       
31.19617  17.96418       16.66729  46.34465 19.49095 36.88938 14.72771 
9.455269       24.42954 
1 1 1 -18 36 8  o 22.86025 10.25550 -0.9348479     9.888685  0.9719282      
12.22838  -4.538069      16.80987  25.89886 11.52651 27.06673 12.59345 
-1.167875      17.07206 
1 1 1 -18 36 9  o 74.05927 8.040233 61.92840       11.91424  54.68781       
15.41759  72.66221       18.77184  65.85668 11.95259 75.13754 12.74086 
-9.280861      17.46980 
1 1 1 -18 36 10 o 59.34307 10.49909 42.64753       12.20632  38.97818       
15.96544  47.81000       18.93718  52.69436 14.46125 56.93651 15.79926 
-4.242146      21.41832 
1 1 1 -18 36 11 o 35.65091 12.92985 16.27642       12.08697  16.37633       
15.94058  16.14128       18.53937  36.08279 14.40388 36.39863 15.14591 
-0.3158417     20.90145 
1 1 1 -18 36 12 o 33.44435 12.99722 13.40535       12.67848  36.48174       
17.45304  -12.37852      18.44851  49.24243 15.56726 25.83018 12.36256 
23.41225       19.87894 
1 1 1 -18 36 13 o 31.37739 12.73073 10.57877       12.67340  5.648715       
17.14780  16.51320       18.81358  30.78536 13.67798 36.19969 15.17566 
-5.414335      20.43007 
1 1 1 -18 36 14 o 71.93723 10.49303 63.39172       14.89810  45.10334       
21.65997  79.81221       20.52407  51.31537 17.40640 76.60234 13.67739 
-25.28697      22.13716 
1 1 1 -18 37 5  o 27.17198 11.48705 6.417298       10.92662  -18.77095      
33.54658  9.406666       11.55683  30.25024 14.94461 29.35699 12.06225 
0.8932495      19.20518 
1 1 1 -18 37 6  o 27.49957 11.91959 5.315789       12.31541  -20.99876      
32.03658  9.878759       13.34050  29.83803 14.71532 30.50919 12.78399 
-0.6711540     19.49285 
1 1 1 -18 37 7  o 86.18623 12.82073 99.18356       21.78560  154.6074       
34.69403  63.10322       27.99250  96.99600 18.25935 55.51456 19.73179 
41.48144       26.88396 
1 1 1 -18 37 8  o 27.04460 11.45034 5.568923       10.88296  4.642507       
12.10075  9.489127       24.89221  27.26815 11.81726 34.28469 15.72657 
-7.016548      19.67162 
1 1 1 -18 37 9  o 55.82045 9.903482 37.83602       10.83004  41.59811       
13.79163  31.78477       17.49136  56.01000 12.43308 44.90297 15.62705 
11.10703       19.96963 
1 1 1 -18 37 10 o 63.45244 9.537260 48.14405       11.92550  28.22021       
15.24854  79.52284       19.13639  43.48608 14.60546 77.94067 12.49601 
-34.45458      19.22160 
1 1 1 -18 37 11 o 18.25118 8.932505 -16.24688      11.10663  -7.035707      
14.75152  -28.30272      16.87634  24.34184 11.47544 20.93294 10.38734 
3.408892       15.47845 
1 1 1 -18 37 12 o 63.47060 10.50479 49.86361       13.08425  46.45105       
17.57415  54.10775       19.59881  55.53657 15.14389 59.01456 15.95098 
-3.477989      21.99480 
1 1 1 -18 38 7  o 41.74254 11.96808 24.11238       10.68470  27.33933       
33.87875  23.75596       11.25931  38.09883 17.77704 40.93589 12.43179 
-2.837063      21.69268 
1 1 1 -18 38 8  o 20.42043 9.635420 -6.441149      10.44274  -2.121667      
11.44653  -27.87930      25.50067  23.09589 10.62010 25.85307 12.81853 
-2.757183      16.64636 
1 1 1 -18 38 9  o 30.76502 12.12372 11.55485       11.15930  9.941599       
12.38271  18.53016       25.74814  30.01620 12.42475 36.12080 16.34514 
-6.104595      20.53139 
1 1 1 -18 38 10 o 22.25862 10.21271 -2.269339      10.50631  -0.9676605     
13.45927  -4.299634      16.80929  25.17107 11.55275 26.16826 12.30999 
-0.9971981     16.88200 
1 1 1 -18 38 11 o 30.80066 12.33299 11.44815       11.72500  9.500018       
15.19065  14.31930       18.44141  30.69358 13.27105 33.71098 14.59891 
-3.017395      19.72939 
1 1 1 -17 0  1  o 16.07407 11.44526 -22.74309      16.34399  -22.74309      
16.34399  -22.74309      16.34399  16.07407 11.44526 16.07407 11.44526 
-0.000000      0.000000 
1 1 1 -17 0  2  o 154.4620 6.994655 245.2117       21.86789  245.2117       
21.86789  245.2117       21.86789  154.4620 6.994655 154.4620 6.994655 
0.000000       0.000000 
1 1 1 -17 0  3  o 64.42320 15.13362 49.21555       17.22576  49.21555       
17.22576  49.21555       17.22576  64.42320 15.13362 64.42320 15.13362 
-0.000000      0.000000 
1 1 1 -17 0  4  f 192.2757 6.481811 378.5052       25.27855  378.5052       
25.27855  378.5052       25.27855  192.2757 6.481811 192.2757 6.481811 
0.000000       0.000000 
1 1 1 -17 0  5  o 229.5251 6.156604 538.4350       28.68903  538.4350       
28.68903  538.4350       28.68903  229.5251 6.156604 229.5251 6.156604 
-0.000000      0.000000 
1 1 1 -17 0  6  o 42.07510 17.97875 26.05918       15.69172  26.05918       
15.69172  26.05918       15.69172  42.07510 17.97875 42.07510 17.97875 
0.000000       0.000000 
1 1 1 -17 0  7  o 86.87335 10.15592 80.39039       17.30047  80.39039       
17.30047  80.39039       17.30047  86.87335 10.15592 86.87335 10.15592 
-0.000000      0.000000 
1 1 1 -17 0  8  o 19.79403 13.36435 -7.045352      15.67502  -7.045352      
15.67502  -7.045352      15.67502  19.79403 13.36435 19.79403 13.36435 
-0.000000      0.000000 
1 1 1 -17 0  9  o 235.3461 6.280911 566.0454       30.01105  566.0454       
30.01105  566.0454       30.01105  235.3461 6.280911 235.3461 6.280911 
0.000000       0.000000 
1 1 1 -17 0  10 o 284.8555 6.302043 828.7659       36.46509  828.7659       
36.46509  828.7659       36.46509  284.8555 6.302043 284.8555 6.302043 
0.000000       0.000000 
1 1 1 -17 0  11 o 20.47141 13.72782 -5.848582      16.01590  -5.848582      
16.01590  -5.848582      16.01590  20.47141 13.72782 20.47141 13.72782 
-0.000000      0.000000 
1 1 1 -17 0  12 o 68.13773 15.16338 54.33640       18.35918  54.33640       
18.35918  54.33640       18.35918  68.13773 15.16338 68.13773 15.16338 
-0.000000      0.000000 
1 1 1 -17 0  13 f 191.8786 6.940689 377.3967       27.00161  377.3967       
27.00161  377.3967       27.00161  191.8786 6.940689 191.8786 6.940689 
-0.000000      0.000000 
1 1 1 -17 0  14 o 92.35608 11.93828 92.04763       21.38941  92.04763       
21.38941  92.04763       21.38941  92.35608 11.93828 92.35608 11.93828 
0.000000       0.000000 
1 1 1 -17 0  15 o 223.6537 7.011175 512.6566       31.81638  512.6566       
31.81638  512.6566       31.81638  223.6537 7.011175 223.6537 7.011175 
0.000000       0.000000 
1 1 1 -17 0  16 o 134.0709 13.55383 191.9080       36.08700  191.9080       
36.08700  191.9080       36.08700  134.0709 13.55383 134.0709 13.55383 
0.000000       0.000000 
1 1 1 -17 0  17 o 50.26434 25.05792 40.69215       31.13467  40.69215       
31.13467  40.69215       31.13467  50.26434 25.05792 50.26434 25.05792 
0.000000       0.000000 
1 1 1 -17 0  18 o 61.35809 27.59415 59.85987       36.83635  59.85987       
36.83635  59.85987       36.83635  61.35809 27.59415 61.35809 27.59415 
0.000000       0.000000 
1 1 1 -17 0  19 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -17 0  20 o 94.86767 25.24238 116.2934       42.07582  116.2934       
42.07582  116.2934       42.07582  94.86767 25.24238 94.86767 25.24238 
-0.000000      0.000000 
1 1 1 -17 0  21 o 189.5229 13.54437 384.5457       51.58765  384.5457       
51.58765  384.5457       51.58765  189.5229 13.54437 189.5229 13.54437 
0.000000       0.000000 
1 1 1 -17 0  22 o 58.28381 27.76113 60.10203       37.60532  60.10203       
37.60532  60.10203       37.60532  58.28381 27.76113 58.28381 27.76113 
-0.000000      0.000000 
1 1 1 -17 0  23 o 107.3119 22.01924 147.1235       42.46229  147.1235       
42.46229  147.1235       42.46229  107.3119 22.01924 107.3119 22.01924 
-0.000000      0.000000 
1 1 1 -17 0  24 o 126.0677 19.73955 200.3462       46.90283  200.3462       
46.90283  200.3462       46.90283  126.0677 19.73955 126.0677 19.73955 
-0.000000      0.000000 
1 1 1 -17 0  25 o 28.21140 19.52665 -7.916812      38.36622  -7.916812      
38.36622  -7.916812      38.36622  28.21140 19.52665 28.21140 19.52665 
0.000000       0.000000 
1 1 1 -17 1  1  o 34.23790 12.91804 9.308660       12.27589  10.82433       
16.86495  7.600670       17.90296  38.65095 14.99872 37.54814 15.16714 
1.102806       21.33082 
1 1 1 -17 1  2  o 150.3442 5.042029 230.9671       15.41500  223.8929       
21.60186  238.3070       22.00390  147.6457 7.194802 152.3437 7.102707 
-4.697952      10.11007 
1 1 1 -17 1  3  o 181.3391 4.675459 335.6924       17.24119  341.3682       
24.58599  330.2005       24.18440  182.4990 6.624849 179.4887 6.625929 
3.010239       9.369715 
1 1 1 -17 1  4  o 135.7917 5.293557 188.3960       14.61747  225.3179       
20.92216  153.1872       20.43103  148.2456 6.940219 121.7462 8.301991 
26.49942       10.82080 
1 1 1 -17 1  5  o 245.1715 4.318097 613.0538       21.52850  628.1818       
30.29412  597.6188       30.59998  247.8210 6.011306 241.6649 6.226676 
6.156143       8.654900 
1 1 1 -17 1  6  o 145.8423 4.988327 217.1230       14.79415  252.3901       
21.32134  184.3792       20.54445  156.9961 6.678426 133.8427 7.579409 
23.15338       10.10192 
1 1 1 -17 1  7  o 162.7180 4.761628 270.1556       15.75588  260.3824       
22.11800  280.2245       22.45006  159.4546 6.821145 165.4440 6.672906 
-5.989410      9.542311 
1 1 1 -17 1  8  o 33.84197 12.43391 9.636603       11.22963  18.43764       
15.84239  0.7490402      15.92007  43.47284 14.88574 32.43544 13.79588 
11.03741       20.29561 
1 1 1 -17 1  9  o 93.99828 7.870534 91.29103       14.90596  80.81172       
18.26706  112.1737       25.78666  87.85011 10.42898 103.1152 12.55690 
-15.26506      16.32297 
1 1 1 -17 1  10 o 286.6072 5.122391 838.5022       29.85460  822.3127       
36.11139  873.4631       53.06639  283.5516 6.262687 291.3467 8.956904 
-7.795135      10.92920 
1 1 1 -17 1  11 o 241.9127 5.238956 597.5048       25.77240  585.1227       
31.03574  625.0112       46.25737  239.1535 6.381664 246.3459 9.233880 
-7.192398      11.22453 
1 1 1 -17 1  12 o 145.1270 6.259516 215.4443       18.47312  243.6720       
22.73701  160.6235       31.68609  154.1833 7.251779 123.5258 12.79996 
30.65748       14.71147 
1 1 1 -17 1  13 o 177.5225 5.831405 322.1537       21.05125  331.1875       
25.77445  304.0527       36.48439  179.7719 7.050443 171.1210 10.53583 
8.650864       12.67724 
1 1 1 -17 1  14 o 33.83809 13.25302 7.432565       13.26155  18.60064       
18.17720  -5.276715      19.39091  44.65043 15.89722 33.00809 14.61102 
11.64234       21.59175 
1 1 1 -17 1  15 o 142.0531 5.981458 206.4358       17.27862  200.8950       
24.27844  212.1225       24.59599  139.4239 8.605183 143.3143 8.477330 
-3.890411      12.07950 
1 1 1 -17 1  16 o 151.9660 7.105358 236.9412       21.95755  206.8006       
26.23143  307.4997       40.13474  141.2631 9.181326 171.4875 11.57676 
-30.22443      14.77559 
1 1 1 -17 1  17 o 89.61738 10.86718 84.59701       19.39934  96.06543       
34.95243  79.49140       23.32110  92.59571 19.19280 85.93322 13.81352 
6.662491       23.64692 
1 1 1 -17 1  18 o 167.8776 5.953936 288.5250       20.32583  297.9083       
29.11459  279.6034       28.38927  170.0056 8.421625 164.4643 8.517699 
5.541336       11.97810 
1 1 1 -17 1  19 o 167.0826 7.036577 286.6953       23.90805  291.4277       
29.78346  278.1202       40.09108  167.7812 8.759707 162.5300 12.21948 
5.251160       15.03490 
1 1 1 -17 1  20 o 177.8122 6.201060 324.2159       22.42224  307.6396       
31.36338  341.5454       32.06803  172.1856 8.988424 181.7679 8.675682 
-9.582291      12.49237 
1 1 1 -17 1  21 o 68.99828 13.49779 52.19374       18.26045  81.62965       
26.14389  24.15493       25.51592  85.88084 15.54219 50.59344 18.71590 
35.28741       24.32786 
1 1 1 -17 1  22 o 86.86652 10.70133 80.49171       18.50375  45.93354       
25.91879  116.4131       26.42507  63.03878 18.79889 103.7462 12.79664 
-40.70745      22.74098 
1 1 1 -17 1  23 o 71.80046 12.50229 56.91764       17.59118  83.02766       
25.36523  32.72284       24.41722  85.67093 15.11211 53.98488 18.48029 
31.68605       23.87251 
1 1 1 -17 1  24 o 40.37991 16.42796 11.61549       21.17200  16.33139       
25.36432  0.7801722      38.44693  44.70775 18.05526 45.42028 20.30984 
-0.7125282     27.17503 
1 1 1 -17 1  25 o 151.6416 7.411705 241.6011       22.85535  284.2535       
33.00156  202.2879       31.68343  162.0401 10.06499 135.2280 11.63493 
26.81216       15.38426 
1 1 1 -17 2  1  o 111.5770 6.039674 127.9212       13.65274  120.5776       
19.41677  135.1025       19.20082  107.6386 8.951897 114.1471 8.329361 
-6.508522      12.22762 
1 1 1 -17 2  2  o 106.9672 6.160987 117.5858       13.34479  113.9147       
18.90977  121.2280       18.83521  104.6564 8.971980 108.0711 8.642874 
-3.414711      12.45776 
1 1 1 -17 2  3  o 32.34504 12.37985 7.692405       11.37620  11.77025       
15.89933  3.414681       16.28432  38.69037 14.67653 34.04945 14.18388 
4.640919       20.41036 
1 1 1 -17 2  4  f 211.0001 4.534209 454.2954       19.45520  447.0888       
26.77554  462.3554       28.31671  208.9733 6.300806 212.4513 6.554385 
-3.478073      9.091761 
1 1 1 -17 2  5  o 187.8009 5.197267 360.2144       19.84834  343.0697       
24.04774  396.8553       35.15541  183.0545 6.460147 196.3025 8.806733 
-13.24802      10.92209 
1 1 1 -17 2  6  o 214.6481 5.047369 470.3717       22.03148  490.3050       
27.14746  431.9162       37.70670  218.9452 6.097367 204.7672 9.055380 
14.17796       10.91686 
1 1 1 -17 2  7  f 116.8156 6.588273 140.1177       15.58647  117.8268       
18.26257  199.8999       29.90783  106.7282 8.484590 138.5984 10.69415 
-31.87019      13.65112 
1 1 1 -17 2  8  o 120.9511 5.716827 149.4857       14.06100  176.0139       
19.60872  121.4065       20.17383  130.8226 7.401153 108.1868 9.259060 
22.63573       11.85358 
1 1 1 -17 2  9  o 253.0710 4.397409 653.0891       22.63032  660.3328       
31.85290  645.7063       32.15750  254.1140 6.164089 251.2534 6.293886 
2.860580       8.809597 
1 1 1 -17 2  10 f 271.7777 4.439247 753.2491       24.53435  732.0928       
34.18341  775.7259       35.23407  267.5363 6.283204 275.3914 6.291598 
-7.855103      8.891729 
1 1 1 -17 2  11 o 104.5355 6.447701 112.2287       13.63939  127.9252       
19.33533  96.68175       19.24302  111.2183 8.616416 96.29519 9.971411 
14.92310       13.17845 
1 1 1 -17 2  12 o 44.01424 12.92237 20.58393       12.32502  12.58346       
17.35719  28.72045       17.50415  40.32278 15.32533 51.79210 15.44969 
-11.46931      21.76140 
1 1 1 -17 2  13 f 230.3960 4.646210 541.5788       21.76834  539.2416       
30.82870  543.9027       30.74164  229.4972 6.605814 230.4983 6.558552 
-1.001068      9.308673 
1 1 1 -17 2  14 o 70.80592 9.836685 52.72750       13.78087  74.60210       
18.97877  28.33112       20.04291  84.04516 11.39873 51.99424 16.70850 
32.05091       20.22635 
1 1 1 -17 2  15 o 235.6229 4.838868 566.7713       23.18530  554.7218       
32.68235  578.9794       32.89663  232.6191 6.909020 237.6795 6.806255 
-5.060379      9.698437 
1 1 1 -17 2  16 o 155.7603 6.695725 248.6777       21.20830  286.1107       
26.25696  178.4169       35.97280  166.8478 7.738780 129.5766 13.86726 
37.27129       15.88048 
1 1 1 -17 2  17 f 51.95235 15.66642 29.09635       17.92691  12.11447       
31.45455  37.26613       21.81704  48.59312 19.92524 58.31774 17.21301 
-9.724617      26.33064 
1 1 1 -17 2  18 o 82.21585 10.98627 71.48715       17.90836  15.85843       
27.28728  113.5754       23.73511  47.82432 18.92262 103.7985 11.43441 
-55.97413      22.10908 
1 1 1 -17 2  19 o 169.7040 6.828499 295.6017       23.56507  290.4292       
29.01007  305.6355       40.40440  167.5610 8.542172 170.6419 11.71466 
-3.080887      14.49834 
1 1 1 -17 2  20 o 57.85880 14.30110 36.92744       16.73018  56.27289       
23.52852  17.14328       23.79381  70.93932 16.60383 46.34369 17.86239 
24.59563       24.38754 
1 1 1 -17 2  21 o 129.6304 7.639788 174.0016       20.05005  197.3721       
28.28008  150.3815       28.43063  137.1453 10.21344 118.9294 11.91593 
18.21585       15.69406 
1 1 1 -17 2  22 o 71.90081 12.48279 56.45643       17.58940  33.07319       
23.94761  83.84924       25.91959  54.81396 18.30395 86.70570 15.25754 
-31.89175      23.82912 
1 1 1 -17 2  23 o 37.24937 14.96391 9.212152       17.32268  5.880724       
24.32939  12.63754       24.67009  40.28501 17.09176 43.41598 17.70610 
-3.130966      24.60964 
1 1 1 -17 2  24 o 130.9727 9.520645 183.1514       25.18360  178.4161       
30.00187  194.4460       46.33490  127.7506 11.67788 127.2172 18.44886 
0.5334091      21.83422 
1 1 1 -17 3  1  o 195.1244 5.233700 389.3748       20.76691  382.3008       
25.56788  403.0892       35.59985  193.0372 6.513319 197.4645 8.865592 
-4.427338      11.00100 
1 1 1 -17 3  2  o 163.9663 5.464640 274.9731       18.22081  273.6368       
22.60257  277.4532       30.79262  163.3031 6.806312 163.5459 9.297213 
-0.2427826     11.52233 
1 1 1 -17 3  3  o 284.8686 5.015763 828.9576       29.05581  832.6013       
35.60062  821.6883       50.28475  285.1643 6.139189 282.2760 8.760137 
2.888306       10.69718 
1 1 1 -17 3  4  o 55.06354 10.86963 32.50822       11.73906  16.77599       
16.21595  49.83118       17.01602  42.34258 15.02156 68.01550 12.77167 
-25.67292      19.71707 
1 1 1 -17 3  5  o 155.8630 4.808478 247.9615       15.24060  239.0107       
21.33886  257.2816       21.77468  152.7177 6.871162 158.4679 6.757082 
-5.750122      9.636961 
1 1 1 -17 3  6  o 163.5199 4.735687 272.8529       15.74726  268.4727       
22.02972  277.4295       22.51829  161.9121 6.690805 164.5842 6.728151 
-2.672119      9.488672 
1 1 1 -17 3  7  o 29.20800 11.73372 4.316690       10.65134  -8.131961      
14.85828  17.47684       15.27699  27.27700 12.37290 42.46601 14.61428 
-15.18901      19.14852 
1 1 1 -17 3  8  o 107.3908 6.052145 118.2893       13.16297  123.8854       
18.28188  112.2654       18.96754  109.5065 8.270742 104.0461 9.054942 
5.460411       12.26365 
1 1 1 -17 3  9  o 21.96708 10.25689 -10.64576      11.30860  -10.40589      
15.31232  -10.93358      16.77282  26.90924 12.34014 28.29653 12.95383 
-1.387295      17.89080 
1 1 1 -17 3  10 o 199.0573 4.616160 404.1864       18.68575  408.2631       
26.09914  399.8991       26.76470  199.7567 6.425002 197.6543 6.658934 
2.102417       9.253219 
1 1 1 -17 3  11 o 187.8368 4.765365 359.9915       18.20238  349.7210       
25.25939  371.0863       26.25349  184.8211 6.720784 190.3710 6.781639 
-5.549973      9.547751 
1 1 1 -17 3  12 o 40.67608 12.97034 16.99253       12.09571  6.384510       
16.37190  29.74193       17.94844  35.86162 14.49771 52.63681 15.63156 
-16.77519      21.31969 
1 1 1 -17 3  13 o 94.52285 7.406870 92.18920       14.12323  87.98636       
19.51884  96.80756       20.46096  91.60548 10.67847 96.15189 10.64295 
-4.546410      15.07654 
1 1 1 -17 3  14 o 86.47884 8.071523 77.50845       14.03032  75.13097       
18.97779  80.37428       20.83584  84.35458 11.35150 87.08907 12.09134 
-2.734482      16.58484 
1 1 1 -17 3  15 o 43.44393 14.99190 18.38349       16.08202  7.428339       
19.39904  42.45791       28.75736  38.75822 15.74177 62.63733 20.00184 
-23.87910      25.45342 
1 1 1 -17 3  16 o 102.7825 8.936936 109.7566       18.49331  86.86218       
30.08624  123.6598       23.44550  88.72516 17.29662 108.6487 10.75282 
-19.92357      20.36655 
1 1 1 -17 3  17 o 47.95912 17.01227 22.08457       20.79818  0.000000       
0.000000  22.08457       20.79818  ?        ?        47.95912 17.01227 
0.000000       17.01227 
1 1 1 -17 3  18 o 175.6827 6.542787 316.4454       23.37454  322.1987       
38.03292  312.9533       29.63120  175.7562 10.69219 174.2532 8.362135 
1.503067       13.57381 
1 1 1 -17 3  19 o 91.97164 12.90146 90.46712       23.46546  89.84818       
32.27366  91.16129       34.17855  89.58337 18.33373 89.86250 19.28096 
-0.2791367     26.60603 
1 1 1 -17 3  20 o 132.1726 8.505293 181.2187       22.73892  172.5816       
38.36052  185.8976       28.23404  126.2588 15.24962 133.1891 10.50983 
-6.930328      18.52046 
1 1 1 -17 3  21 o 196.1479 6.744085 395.8204       26.90036  415.0531       
44.03411  384.3694       33.97758  198.6977 10.94011 192.5530 8.677420 
6.144623       13.96365 
1 1 1 -17 3  22 o 182.2655 6.930508 342.8796       25.68745  315.2240       
42.25730  359.0884       32.35083  171.7439 12.17852 185.7976 8.562369 
-14.05371      14.88726 
1 1 1 -17 3  23 o 38.05614 15.58972 8.337719       19.23246  20.50395       
30.88008  0.6279364      24.58225  49.70570 19.97518 38.37013 16.73404 
11.33557       26.05831 
1 1 1 -17 3  24 o 40.14669 17.21123 6.004424       25.13465  17.11964       
32.20896  -11.30547      40.19433  47.82619 19.93750 43.18766 19.87441 
4.638527       28.15130 
1 1 1 -17 4  1  o 46.78889 12.91709 23.77900       12.69387  34.39138       
16.79739  9.648737       19.38253  55.86998 14.61667 39.72073 15.87380 
16.14925       21.57833 
1 1 1 -17 4  2  o 75.22684 8.209717 58.97607       12.35502  49.34776       
17.23471  69.15504       17.72071  67.48391 13.03077 80.79156 11.07776 
-13.30765      17.10315 
1 1 1 -17 4  3  o 30.86310 12.10192 6.108173       11.06775  7.392827       
15.20282  4.659558       16.14386  35.37291 14.08354 34.58474 14.23875 
0.7881699      20.02719 
1 1 1 -17 4  4  o 219.7303 4.418994 492.6075       19.74535  522.4825       
27.88821  462.5779       27.96022  225.9503 6.069547 212.5091 6.470109 
13.44113       8.871399 
1 1 1 -17 4  5  o 100.5287 6.115990 103.7787       12.44339  100.5446       
17.14953  107.3744       18.08276  98.45580 8.653481 101.7281 8.828783 
-3.272293      12.36245 
1 1 1 -17 4  6  o 80.75179 7.099709 67.34761       11.54008  79.56957       
16.62191  55.97459       16.03424  87.32905 9.513816 72.66250 11.21221 
14.66655       14.70464 
1 1 1 -17 4  7  o 186.7235 4.597176 355.6874       17.45587  368.6742       
24.24015  341.6984       25.15809  189.8282 6.279473 182.6590 6.773065 
7.169220       9.236135 
1 1 1 -17 4  8  o 230.6058 4.378926 542.3154       20.53474  534.2582       
28.84675  550.5928       29.23823  228.5445 6.206897 232.0142 6.197052 
-3.469681      8.770919 
1 1 1 -17 4  9  o 45.83799 12.56303 22.57912       12.05849  7.634724       
16.84120  38.30075       17.27359  36.97051 14.78884 59.28636 14.45758 
-22.31585      20.68167 
1 1 1 -17 4  10 o 92.28144 7.841841 88.01488       14.57638  93.71239       
24.22900  84.78306       18.24805  93.96525 13.03067 90.06612 10.13967 
3.899132       16.51094 
1 1 1 -17 4  11 o 191.2060 5.345348 373.3723       20.78399  321.0718       
32.89997  408.1068       26.81161  176.3160 9.207928 199.6709 6.603233 
-23.35489      11.33087 
1 1 1 -17 4  12 o 99.23340 7.693781 101.6470       15.40426  123.2016       
25.52103  89.29359       19.32067  108.3036 11.77774 92.35728 10.47238 
15.94630       15.76026 
1 1 1 -17 4  13 o 70.10477 11.01132 52.10321       15.18040  35.95562       
24.56470  62.07995       19.30865  58.08162 18.47993 76.14114 12.93306 
-18.05952      22.55597 
1 1 1 -17 4  14 o 51.05527 12.79476 28.27182       13.25737  12.93593       
17.84178  47.17752       19.80979  40.79959 15.53032 65.62670 15.15072 
-24.82711      21.69643 
1 1 1 -17 4  15 o 212.6862 5.774077 462.6299       24.97315  453.2401       
30.02733  483.6961       44.97608  210.2236 7.023989 216.1332 10.23314 
-5.909561      12.41183 
1 1 1 -17 4  16 o 98.81709 7.720037 100.9602       15.39007  91.19897       
21.23397  111.7624       22.33762  92.94009 11.47902 103.2177 10.80221 
-10.27763      15.76247 
1 1 1 -17 4  17 o 48.18813 15.80953 24.05048       17.89318  13.20106       
30.85050  29.55030       21.96510  48.66803 19.81864 53.13406 17.52034 
-4.466034      26.45262 
1 1 1 -17 4  18 o 68.57274 13.48723 51.07943       18.13714  40.15774       
29.66433  57.59966       22.92034  61.21205 20.36924 72.16942 16.03424 
-10.95737      25.92302 
1 1 1 -17 4  19 o 120.3868 7.491657 149.6231       18.24945  143.5010       
25.57244  155.9768       26.05146  116.9103 10.88137 122.0183 10.60465 
-5.108063      15.19417 
1 1 1 -17 4  20 o 41.20026 15.24346 14.89056       16.92741  19.61856       
23.11932  9.427115       24.85249  47.30154 17.75225 43.20335 17.71270 
4.098194       25.07752 
1 1 1 -17 4  21 o 125.8561 7.698728 164.1497       19.60881  179.3368       
27.63087  148.7404       27.83232  130.5409 10.49746 118.3100 11.72279 
12.23091       15.73596 
1 1 1 -17 4  22 o 40.17300 15.11011 14.09878       16.76750  -4.535138      
22.63498  36.75908       24.96093  35.43614 15.73094 57.17114 18.66855 
-21.73500      24.41265 
1 1 1 -17 4  23 o 28.48570 13.03873 -9.245185      16.98572  7.645320       
24.33214  -25.29972      23.72235  40.96115 17.21954 29.90144 14.23002 
11.05972       22.33845 
1 1 1 -17 4  24 o 117.6851 10.29512 149.3959       24.39004  149.4149       
29.33011  149.3531       43.91278  116.0560 12.63180 109.1148 20.54427 
6.941231       24.11699 
1 1 1 -17 5  1  o 184.0910 5.367057 346.7350       20.09187  355.2025       
24.60526  329.7912       34.80621  186.0544 6.503342 178.0595 9.648597 
7.994919       11.63567 
1 1 1 -17 5  2  o 189.4518 4.648018 366.5347       17.90680  387.6087       
25.43653  345.8294       25.21304  194.4346 6.433287 183.5791 6.753834 
10.85541       9.327456 
1 1 1 -17 5  3  f 211.8487 6.395501 459.8659       27.55191  0.000000       
0.000000  459.8659       27.55191  ?        ?        211.8487 6.395501 
0.000000       6.395501 
1 1 1 -17 5  4  o 105.5856 6.361390 114.5803       13.59489  110.5708       
18.68184  119.0937       19.82084  103.1610 8.995395 107.0410 9.195114 
-3.880035      12.86341 
1 1 1 -17 5  5  o 136.6291 5.932951 190.9488       16.48410  181.6674       
28.07217  195.8333       20.36486  132.0205 10.54440 137.9692 7.284332 
-5.948700      12.81584 
1 1 1 -17 5  6  o 155.5908 5.541586 247.3903       17.53354  238.1803       
28.50202  252.9977       22.23951  151.7068 9.283544 157.1158 6.960715 
-5.409012      11.60326 
1 1 1 -17 5  7  o 84.46153 8.079759 73.93916       13.70809  42.01636       
22.61226  92.48779       17.23651  61.87115 17.29852 94.33127 9.098341 
-32.46011      19.54530 
1 1 1 -17 5  8  o 43.96564 12.44848 20.67149       11.63342  13.64953       
16.26238  28.03105       16.64871  40.28970 14.93418 51.10504 15.02312 
-10.81534      21.18310 
1 1 1 -17 5  9  o 148.2130 5.100239 224.2582       15.37192  222.4258       
21.10048  226.3305       22.43963  147.3372 7.042529 148.5609 7.427790 
-1.223740      10.23569 
1 1 1 -17 5  10 o 248.7683 4.383260 631.1133       22.17398  649.1117       
31.14848  612.6205       31.57333  251.9441 6.079687 244.6975 6.345113 
7.246613       8.787664 
1 1 1 -17 5  11 o 118.2691 5.968653 143.3738       14.30851  143.9850       
19.70845  142.6926       20.80678  118.0905 8.259035 117.4417 8.775672 
0.6487198      12.05090 
1 1 1 -17 5  12 o 86.48702 7.562410 77.31740       13.16662  75.75560       
18.10675  79.06991       19.18043  84.90590 10.72631 86.66186 11.14181 
-1.755959      15.46589 
1 1 1 -17 5  13 o 88.05140 7.674907 80.17767       13.60493  83.67993       
19.23200  76.66937       19.24857  89.25283 10.81716 85.22900 11.39108 
4.023834       15.70884 
1 1 1 -17 5  14 f 105.4722 6.980088 114.5327       14.88635  122.6866       
20.07974  104.5822       22.18183  108.7022 9.169412 99.79718 11.11923 
8.905029       14.41234 
1 1 1 -17 5  15 o 71.76257 11.41354 54.79652       16.09819  58.29987       
19.00108  45.88586       30.30339  73.57600 13.18386 64.78426 20.51609 
8.791733       24.38697 
1 1 1 -17 5  16 o 125.0557 6.562842 160.7115       16.63133  151.2826       
22.70288  171.6321       24.43280  120.6664 9.324512 128.5444 9.412366 
-7.877975      13.24912 
1 1 1 -17 5  17 o 80.68829 9.970660 68.42249       16.01204  76.51838       
22.77793  60.51365       22.51328  84.25148 13.77075 74.22336 15.41961 
10.02812       20.67360 
1 1 1 -17 5  18 o 290.5215 5.929251 864.1758       35.02914  932.2975       
64.79747  836.0476       41.63774  299.4565 10.64076 285.2942 7.176999 
14.16235       12.83492 
1 1 1 -17 5  19 o 122.3334 7.298878 154.3872       18.07464  114.0533       
24.70015  200.8817       26.51953  103.7614 11.92273 138.9670 9.440300 
-35.20562      15.20759 
1 1 1 -17 5  20 o 163.5007 7.076975 274.9464       23.52982  294.5306       
29.64214  241.5841       38.68869  168.5285 8.678843 150.8736 12.72898 
17.65488       15.40615 
1 1 1 -17 5  21 o 171.5654 6.265041 302.4305       21.85774  313.7125       
30.54326  290.5876       31.29340  173.9233 8.635871 166.9102 9.255998 
7.013107       12.65906 
1 1 1 -17 5  22 o 30.39197 13.59412 -5.451519      17.23903  -1.173913      
24.32802  -9.765649      24.43166  37.92229 16.59001 35.05308 15.88647 
2.869213       22.96972 
1 1 1 -17 5  23 o 41.71254 15.27544 16.95701       16.92890  43.10809       
23.89237  -9.408426      23.99010  60.32754 18.06239 34.43220 15.65824 
25.89534       23.90461 
1 1 1 -17 5  24 o 43.25412 15.94784 19.20507       18.49670  16.97843       
25.89348  21.52518       26.43139  45.06012 18.22681 47.37899 18.66245 
-2.318874      26.08647 
1 1 1 -17 6  1  o 137.9772 7.384575 196.4340       20.64460  188.6127       
29.46495  203.9760       28.93404  134.0452 10.90395 139.6763 10.25850 
-5.631165      14.97107 
1 1 1 -17 6  2  o 23.79312 11.07687 -11.40238      13.03573  -11.37564      
21.75794  -11.41735      16.28132  32.80587 14.91608 27.47164 12.64466 
5.334238       19.55446 
1 1 1 -17 6  3  o 41.77224 13.57231 17.91688       13.19923  52.91256       
21.77777  -2.402720      16.59449  69.21029 15.81883 31.46054 13.73403 
37.74976       20.94896 
1 1 1 -17 6  4  o 130.1114 7.917124 174.7149       20.84799  0.000000       
0.000000  174.7149       20.84799  ?        ?        130.1114 7.917124 
0.000000       7.917124 
1 1 1 -17 6  5  o 73.30598 7.885390 55.84460       11.56990  54.49034       
15.98219  57.33583       16.77090  71.58789 11.35779 73.40141 11.62288 
-1.813515      16.25087 
1 1 1 -17 6  6  o 192.8120 4.516666 379.2899       17.70939  395.8115       
25.39362  363.6459       24.71007  196.6398 6.350410 188.4611 6.447642 
8.178741       9.049850 
1 1 1 -17 6  7  o 120.2131 5.524092 147.6648       13.50405  160.6575       
19.18715  134.9119       19.00932  124.8930 7.590762 114.2741 8.235467 
10.61887       11.20012 
1 1 1 -17 6  8  o 209.1746 4.439673 446.2766       18.88476  450.1786       
26.36207  442.1634       27.06600  209.7788 6.179688 207.8565 6.403378 
1.922318       8.898976 
1 1 1 -17 6  9  o 69.07993 8.779791 49.86864       12.05492  49.44270       
16.95552  50.30403       17.14248  67.83179 12.76045 68.42706 12.78979 
-0.5952759     18.06676 
1 1 1 -17 6  10 o 120.7722 5.670642 149.0585       13.92678  145.8659       
19.50360  152.3799       19.89304  118.8896 8.115627 121.5311 8.095702 
-2.641464      11.46315 
1 1 1 -17 6  11 o 242.5179 4.480939 599.9248       22.09857  565.0161       
30.32932  639.4305       32.26458  234.9793 6.347192 249.9747 6.347148 
-14.99532      8.976254 
1 1 1 -17 6  12 o 200.6679 4.645156 410.8615       18.95526  428.2782       
26.76182  393.3272       26.85197  204.5495 6.433774 195.9621 6.738336 
8.587418       9.316577 
1 1 1 -17 6  13 o 134.7758 5.684955 185.6861       15.58083  181.2636       
21.39010  190.6849       22.74114  132.5873 7.970428 135.9306 8.266292 
-3.343353      11.48300 
1 1 1 -17 6  14 o 116.1081 7.347447 138.8868       17.25859  137.0001       
20.50937  143.4639       31.94497  114.9785 8.839410 116.1581 13.79347 
-1.179611      16.38277 
1 1 1 -17 6  15 o 123.9832 6.311533 157.8174       15.86029  160.4170       
21.80203  154.8953       23.11520  124.4772 8.667100 122.1187 9.379828 
2.358437       12.77105 
1 1 1 -17 6  16 o 86.75819 8.562597 78.30590       14.90956  76.96591       
20.19418  79.91161       22.10588  85.09271 12.00375 86.43183 12.97805 
-1.339119      17.67823 
1 1 1 -17 6  17 f 203.9111 5.993139 425.7317       24.85116  443.0016       
41.23874  415.8840       31.14061  206.8025 9.806141 201.1096 7.614526 
5.692902       12.41537 
1 1 1 -17 6  18 o 131.0207 7.916861 177.3608       20.99422  228.2177       
37.42395  154.0062       25.36065  146.9838 12.64377 121.3503 10.37683 
25.63348       16.35675 
1 1 1 -17 6  19 o 155.2831 8.878930 250.0436       27.92093  250.0436       
27.92093  0.000000       0.000000  155.2831 8.878930 ?        ?        
0.000000       8.878930 
1 1 1 -17 6  20 o 40.65137 15.58772 13.00108       18.05628  17.68453       
22.10373  3.607171       31.30445  45.66961 17.30939 44.89405 19.22610 
0.7755508      25.87002 
1 1 1 -17 6  21 o 91.74335 9.989512 88.85796       18.33554  78.97259       
25.20828  99.96310       26.71829  84.41544 15.24592 95.70854 14.15497 
-11.29310      20.80388 
1 1 1 -17 6  22 o 36.23971 14.82004 6.903674       17.34282  0.6924995      
24.80106  12.84718       24.26078  38.91371 16.89100 43.70405 17.65524 
-4.790344      24.43386 
1 1 1 -17 6  23 o 81.06647 11.40885 71.60443       18.28729  64.20635       
25.68890  79.20549       26.03892  73.63808 17.42637 82.84502 16.03587 
-9.206940      23.68180 
1 1 1 -17 6  24 o 140.5231 7.634253 207.5531       21.73367  255.2503       
31.57714  164.6197       29.95877  154.0062 10.13955 122.0071 12.24004 
31.99918       15.89431 
1 1 1 -17 7  1  o 87.25569 7.365994 78.88977       12.94786  79.99693       
17.92763  77.68256       18.72015  87.10154 10.32236 85.60818 11.00838 
1.493355       15.09091 
1 1 1 -17 7  2  o 236.5598 5.054428 572.0351       24.31445  579.3147       
29.92418  557.8906       41.71202  237.7441 6.189579 232.3514 8.828045 
5.392731       10.78171 
1 1 1 -17 7  3  o 142.3980 5.110328 207.2296       14.79804  206.8093       
20.74545  207.6650       21.11460  141.7149 7.222690 141.9798 7.338241 
-0.2648621     10.29646 
1 1 1 -17 7  4  o 174.2579 4.680288 310.0060       16.58504  291.2939       
22.84587  330.8551       24.11514  168.5662 6.664778 179.6626 6.600558 
-11.09642      9.380119 
1 1 1 -17 7  5  o 143.8163 5.043728 211.2475       14.75065  214.4118       
20.44352  207.8112       21.30424  144.5976 6.952534 142.0880 7.398801 
2.509613       10.15283 
1 1 1 -17 7  6  o 145.6838 4.936763 216.6938       14.62530  225.8934       
20.64475  207.4252       20.72208  148.4619 6.838223 142.0257 7.198408 
6.436188       9.928665 
1 1 1 -17 7  7  o 76.92935 7.730233 61.36172       11.92941  66.21933       
16.28834  55.74142       17.52045  79.37015 10.33708 72.18819 12.38083 
7.181953       16.12887 
1 1 1 -17 7  8  o 111.8886 5.866722 128.3477       13.30200  104.2393       
18.11143  156.5831       19.60040  100.2104 8.983045 123.2359 7.862256 
-23.02547      11.93776 
1 1 1 -17 7  9  o 232.3508 4.361722 550.6036       20.60884  499.2490       
27.99252  611.3842       30.45333  220.8988 6.231567 244.4766 6.125564 
-23.57787      8.738132 
1 1 1 -17 7  10 o 75.25161 8.235581 58.87568       12.39693  50.70538       
16.97040  68.22447       18.15311  68.73888 12.60507 80.32076 11.43708 
-11.58189      17.02041 
1 1 1 -17 7  11 o 149.8923 5.069618 229.3977       15.45275  229.0697       
21.53303  229.7460       22.18870  149.4894 7.083424 149.6742 7.290102 
-0.1847229     10.16467 
1 1 1 -17 7  12 o 73.30785 8.771346 56.09257       12.81614  27.25905       
17.44420  89.90981       18.89172  50.60189 15.49602 92.71482 10.18808 
-42.11293      18.54517 
1 1 1 -17 7  13 o 106.3321 6.811420 116.3298       14.65089  121.9318       
19.55661  109.1641       22.11797  108.4189 8.950296 102.0687 10.82122 
6.350128       14.04303 
1 1 1 -17 7  14 o 61.98759 12.53145 41.49490       15.25325  37.04555       
18.16509  52.13309       28.08817  58.12831 15.19652 68.35922 19.33873 
-10.23092      24.59514 
1 1 1 -17 7  15 o 53.29589 12.68155 30.87720       13.54492  21.82032       
18.47669  41.39888       19.91488  46.85778 16.07509 61.27587 15.85949 
-14.41809      22.58167 
1 1 1 -17 7  16 o 106.9952 7.208845 118.0695       15.59349  118.4926       
21.27206  117.5780       22.92572  106.5176 9.935240 105.8503 10.80210 
0.6672516      14.67632 
1 1 1 -17 7  17 o 125.2797 7.605342 161.9784       19.28373  181.2908       
32.38336  151.3676       24.00361  131.0614 12.29423 120.4732 9.885046 
10.58821       15.77537 
1 1 1 -17 7  18 o 119.8305 8.418199 148.8051       20.38324  156.6627       
35.08147  144.8006       25.04437  120.7823 14.57790 117.5564 10.59010 
3.225983       18.01847 
1 1 1 -17 7  19 o 111.8173 7.844913 129.4230       17.72516  132.7879       
25.07261  126.0611       25.06172  112.2815 11.12747 109.2650 11.44926 
3.016548       15.96578 
1 1 1 -17 7  20 o 64.53468 14.48740 46.06535       18.54623  46.53071       
22.82645  45.16145       31.81298  64.26846 17.14795 63.76484 21.08809 
0.5036201      27.18013 
1 1 1 -17 7  21 o 89.18073 10.07283 84.12157       17.94714  84.99448       
25.60435  83.27845       25.16357  87.74846 14.88074 86.88811 14.77032 
0.8603439      20.96661 
1 1 1 -17 7  22 o 45.70549 15.49749 22.05933       17.16964  34.35555       
24.27914  9.758256       24.28395  55.39651 18.42754 42.24005 17.43517 
13.15646       25.36847 
1 1 1 -17 7  23 o 63.55532 16.15214 47.32282       20.91908  41.89789       
25.00296  59.98139       38.19327  59.27522 18.61866 68.58646 23.11465 
-9.311241      29.68066 
1 1 1 -17 7  24 o 169.3898 9.586208 307.1751       32.88520  0.000000       
0.000000  307.1751       32.88520  ?        ?        169.3898 9.586208 
0.000000       9.586208 
1 1 1 -17 8  1  o 199.2076 4.607467 405.4493       18.66463  399.7743       
25.41025  412.0989       27.50566  197.3856 6.330557 200.2796 6.753579 
-2.893936      9.256716 
1 1 1 -17 8  2  o 62.91859 10.66693 42.28449       13.16048  57.55878       
17.15135  20.41571       20.52249  73.27748 11.91974 46.63489 16.85808 
26.64259       20.64643 
1 1 1 -17 8  3  o 162.1373 5.398115 268.8565       17.79822  284.9273       
22.42690  241.5142       29.25287  166.6694 6.617012 152.4722 9.481624 
14.19724       11.56227 
1 1 1 -17 8  4  o 122.6601 5.585455 153.8835       13.93199  165.1657       
19.35416  141.7500       20.07101  126.5505 7.555194 116.9787 8.495413 
9.571724       11.36895 
1 1 1 -17 8  5  o 124.7407 5.331973 159.0261       13.52532  199.6426       
19.90853  124.2106       18.43207  139.3255 7.049726 109.5341 8.337713 
29.79142       10.91861 
1 1 1 -17 8  6  o 107.4341 5.830688 118.3932       12.69064  126.0324       
17.92029  110.7078       17.97440  110.4321 8.035006 103.3309 8.633145 
7.101151       11.79375 
1 1 1 -17 8  7  o 106.9821 5.957859 117.4276       12.91001  132.3064       
17.93869  101.4420       18.59395  113.2215 7.839551 98.72757 9.373936 
14.49391       12.22003 
1 1 1 -17 8  8  o 40.07158 12.15610 16.86002       10.76975  8.331471       
15.02166  25.88042       15.44876  35.88319 14.08989 49.13637 14.47934 
-13.25318      20.20337 
1 1 1 -17 8  9  o 153.7800 4.943107 241.4155       15.45793  233.1052       
21.42547  250.4373       22.32382  150.8088 6.986378 156.3083 7.023200 
-5.499466      9.906301 
1 1 1 -17 8  10 o 103.2549 6.220994 109.4816       13.00137  101.0448       
17.85271  119.0092       18.97170  98.64052 8.999221 107.1647 8.782850 
-8.524208      12.57475 
1 1 1 -17 8  11 o 154.8293 5.027230 244.7628       15.82826  227.5308       
21.56325  264.8954       23.30744  148.9673 7.118230 160.7317 7.130856 
-11.76442      10.07563 
1 1 1 -17 8  12 o 130.5814 5.591475 174.2900       14.84769  201.1002       
20.76340  146.2339       21.24035  139.8159 7.328321 118.8253 8.853783 
20.99060       11.49320 
1 1 1 -17 8  13 o 352.0515 5.406645 1266.578       38.70664  1247.032       
46.69217  1309.520       69.20728  348.9006 6.580986 356.0644 9.558105 
-7.163788      11.60460 
1 1 1 -17 8  14 o 149.5987 7.469706 229.8344       22.72390  229.8344       
22.72390  0.000000       0.000000  149.5987 7.469706 ?        ?        
0.000000       7.469706 
1 1 1 -17 8  15 o 42.01852 13.47283 18.24783       13.03728  14.64214       
17.88975  22.33160       19.03885  41.79932 15.62991 47.40879 16.31472 
-5.609474      22.59345 
1 1 1 -17 8  16 o 125.9832 6.517577 163.1359       16.64031  153.1565       
23.17452  173.7574       23.90855  121.3297 9.467686 129.3699 9.146972 
-8.040176      13.16450 
1 1 1 -17 8  17 o 106.3137 8.603873 117.3572       18.44145  106.1055       
29.36468  124.6849       23.69752  98.95236 15.06896 108.9589 10.83906 
-10.00656      18.56230 
1 1 1 -17 8  18 o 188.8407 6.438025 365.7041       24.72291  362.3109       
42.73248  367.4113       30.31083  185.9801 11.35338 188.8769 7.891644 
-2.896835      13.82669 
1 1 1 -17 8  19 o 191.2770 5.688338 374.6598       22.12583  377.9244       
31.11361  371.3197       31.47075  191.4488 7.991832 189.7133 8.157516 
1.735504       11.41992 
1 1 1 -17 8  20 o 82.39081 11.66018 72.57927       18.99046  97.73020       
24.15118  31.83961       30.73761  95.40435 12.76882 56.50501 20.59983 
38.89934       24.23625 
1 1 1 -17 8  21 o 54.59678 14.72040 33.30672       16.71591  46.44644       
23.92393  20.77307       23.36569  63.68007 17.78925 47.60142 17.85015 
16.07864       25.20090 
1 1 1 -17 8  22 o 59.05843 14.58274 39.49827       17.40899  13.36090       
24.66048  65.46482       24.57977  44.02904 17.79533 75.50640 16.47164 
-31.47736      24.24848 
1 1 1 -17 8  23 o 91.82854 11.95567 92.41743       21.79622  85.50844       
26.23065  107.8293       39.17680  86.23271 15.52957 92.72417 21.23415 
-6.491455      26.30697 
1 1 1 -17 8  24 o 126.3341 8.253140 169.1011       21.08619  185.2349       
30.89023  155.0237       28.85451  129.5521 11.85683 118.1927 12.17974 
11.35946       16.99796 
1 1 1 -17 9  1  o 145.0635 5.220720 215.3263       15.40069  199.8447       
21.35534  232.1032       22.23074  139.0663 7.580103 150.1603 7.280268 
-11.09399      10.51001 
1 1 1 -17 9  2  o 93.69125 6.832364 90.62868       12.92759  94.28991       
18.02610  86.75158       18.54989  94.92920 9.464087 90.80222 10.22389 
4.126976       13.93186 
1 1 1 -17 9  3  o 242.9239 4.896732 602.9739       24.18956  608.3953       
30.01235  592.9226       40.86536  243.6970 6.056174 239.7579 8.381677 
3.939056       10.34068 
1 1 1 -17 9  4  o 156.3538 4.922383 249.7357       15.65076  252.0804       
21.74676  247.2164       22.54166  156.7478 6.822468 155.1610 7.144173 
1.586823       9.878526 
1 1 1 -17 9  5  o 107.4049 5.898025 118.3984       12.83263  133.4260       
18.35616  104.0334       17.94692  113.6104 7.996337 100.0380 8.915580 
13.57238       11.97618 
1 1 1 -17 9  6  f 139.9678 5.042774 200.1001       14.35321  194.9493       
19.99224  205.5791       20.61929  137.6560 7.166689 141.3619 7.196612 
-3.705933      10.15641 
1 1 1 -17 9  7  o 39.96805 13.48345 15.79218       12.99627  13.14903       
15.38595  22.37441       24.28008  39.31956 14.53578 49.78351 18.28431 
-10.46395      23.35818 
1 1 1 -17 9  8  o 189.1931 5.169029 365.5992       19.88683  356.8464       
23.45906  387.9549       37.49147  186.7334 6.177848 193.8463 9.510942 
-7.112900      11.34124 
1 1 1 -17 9  9  o 227.5838 4.464428 528.3993       20.66134  529.2701       
28.87014  527.4849       29.58197  227.4073 6.242994 226.9836 6.408866 
0.4237671      8.946985 
1 1 1 -17 9  10 o 233.8640 4.470232 557.9680       21.25910  552.7841       
29.65673  563.4474       30.49042  232.3966 6.275410 234.5985 6.391264 
-2.201950      8.957067 
1 1 1 -17 9  11 f 46.26783 12.18628 23.11617       11.62485  32.52919       
16.04366  12.71186       16.86730  54.62453 14.28213 40.00841 15.13101 
14.61613       20.80689 
1 1 1 -17 9  12 o 42.24461 13.64649 18.31818       13.35667  19.65170       
16.05989  15.32645       24.05494  44.37775 14.98858 45.91621 17.88637 
-1.538464      23.33623 
1 1 1 -17 9  13 o 125.6460 6.920173 162.3613       17.61324  144.8985       
21.02538  203.4520       32.25217  118.2505 8.806702 139.3920 11.48020 
-21.14147      14.46903 
1 1 1 -17 9  14 o 30.15482 12.51245 2.765085       12.60197  15.06360       
17.29359  -11.16007      18.40174  41.72855 15.41371 29.79671 13.61334 
11.93184       20.56466 
1 1 1 -17 9  15 o 190.0803 5.047751 369.1542       19.51131  334.8018       
26.38112  410.6347       28.98923  180.5714 7.184441 199.9936 7.128025 
-19.42220      10.12052 
1 1 1 -17 9  16 o 222.2771 5.727319 505.6256       25.88794  534.2734       
43.04124  489.3875       32.40461  227.2821 9.312541 218.2378 7.301724 
9.044296       11.83379 
1 1 1 -17 9  17 o 160.0595 5.692425 262.2154       18.52807  274.5858       
25.94564  249.3425       26.46746  163.3164 7.812378 155.2580 8.414559 
8.058319       11.48208 
1 1 1 -17 9  18 o 169.9135 5.726971 295.5825       19.78810  301.1458       
27.57926  289.6797       28.40836  170.9650 7.932755 167.5637 8.337098 
3.401276       11.50807 
1 1 1 -17 9  19 o 187.2106 5.633743 358.9123       21.44761  374.7318       
30.13386  342.6708       30.53307  190.6794 7.771405 182.1871 8.241406 
8.492264       11.32764 
1 1 1 -17 9  20 o 79.77484 10.96929 67.79688       17.32409  87.40414       
24.44751  48.02045       24.55275  89.66829 13.85393 65.01593 17.97100 
24.65236       22.69114 
1 1 1 -17 9  21 o 180.1084 6.017502 333.3933       22.03950  354.3413       
31.32502  312.8587       31.01442  184.7748 8.336756 173.1980 8.835185 
11.57680       12.14751 
1 1 1 -17 9  22 o 32.02619 13.89104 -0.3075174     16.74882  -1.213402      
23.56391  0.6174520      23.81083  37.14305 16.28622 38.00957 16.52450 
-0.8665161     23.20129 
1 1 1 -17 9  23 o 110.1996 10.98047 131.4284       24.27899  153.7759       
28.63006  74.20653       45.81310  118.5708 12.04093 73.77598 25.31239 
44.79486       28.03036 
1 1 1 -17 9  24 o 85.08409 11.42192 80.20273       19.26333  108.1071       
28.31913  56.17226       26.27995  96.39502 14.92957 66.61755 18.65693 
29.77747       23.89504 
1 1 1 -17 10 1  o 73.91788 8.611407 57.25917       12.70157  70.42437       
17.40788  42.27064       18.57426  81.45459 10.77382 61.68077 14.96176 
19.77382       18.43718 
1 1 1 -17 10 2  o 41.77008 12.74850 18.53136       11.81883  13.43817       
16.35459  24.09873       17.09896  39.91251 14.94034 47.80058 15.44024 
-7.888065      21.48523 
1 1 1 -17 10 3  o 145.4103 5.596950 216.4102       16.55000  213.3832       
20.77726  221.6645       27.37437  144.1035 7.090263 146.0546 9.264709 
-1.951096      11.66648 
1 1 1 -17 10 4  o 29.62544 12.26384 2.867324       12.06526  17.63965       
15.20062  -22.28720      19.83558  42.36584 14.57782 27.76611 13.15492 
14.59974       19.63580 
1 1 1 -17 10 5  o 254.3915 5.085214 661.2476       26.30651  632.0758       
30.53086  745.3284       51.83291  248.4657 6.042563 268.4478 9.494987 
-19.98210      11.25466 
1 1 1 -17 10 6  o 151.4748 5.688538 234.6803       17.52235  233.0602       
20.81084  238.6262       32.47852  150.7623 6.788058 151.2864 10.62447 
-0.5241241     12.60782 
1 1 1 -17 10 7  o 285.7264 4.984163 833.7665       28.95969  819.1467       
34.53419  868.4075       53.15871  282.9290 6.002337 290.1524 9.009422 
-7.223358      10.82579 
1 1 1 -17 10 8  f 126.8371 6.265419 164.6986       16.16024  162.3855       
18.98591  170.7812       30.78786  125.5473 7.470309 127.4766 12.01861 
-1.929375      14.15106 
1 1 1 -17 10 9  f 136.8934 6.071312 191.7583       16.90116  195.8173       
20.55591  183.2888       29.69320  137.9397 7.354726 132.4105 11.13092 
5.529266       13.34127 
1 1 1 -17 10 10 o 148.0223 5.081019 223.7766       15.29429  234.9665       
20.89054  210.8508       22.45263  151.4141 6.784720 143.0593 7.746775 
8.354782       10.29781 
1 1 1 -17 10 11 o 59.20620 11.65598 37.68026       13.53400  19.96207       
16.35208  76.21476       24.11504  44.72139 15.12422 83.92448 14.66394 
-39.20309      21.06592 
1 1 1 -17 10 12 o 114.9403 6.822705 135.9049       15.87562  140.3253       
19.46587  127.1244       27.43466  116.4884 8.271272 109.6436 12.52952 
6.844757       15.01342 
1 1 1 -17 10 13 o 272.9401 4.576593 760.3536       25.40160  752.4775       
34.87961  769.2484       37.06664  271.0519 6.328017 273.9508 6.653638 
-2.898865      9.182303 
1 1 1 -17 10 14 o 243.0493 4.660328 603.1019       23.03362  597.7056       
31.70112  609.1366       33.52420  241.5061 6.454983 243.7110 6.764440 
-2.204895      9.350104 
1 1 1 -17 10 15 o 68.82607 10.03379 50.07693       13.63027  30.92633       
18.36662  73.55373       20.33563  53.34348 15.80604 82.97425 12.43517 
-29.63077      20.11129 
1 1 1 -17 10 16 o 133.2977 7.020704 182.9591       18.96360  190.6796       
30.69019  178.1908       24.11895  134.7707 11.30269 130.9832 9.111794 
3.787582       14.51811 
1 1 1 -17 10 17 o 108.6595 7.362802 121.9459       16.17303  127.0443       
22.79102  116.7744       22.95409  110.1181 10.29733 105.3567 10.87005 
4.761398       14.97308 
1 1 1 -17 10 18 o 225.4494 5.136094 519.7455       23.54689  554.1138       
33.68780  486.9141       32.92592  232.1724 7.135275 217.5348 7.443166 
14.63753       10.31081 
1 1 1 -17 10 19 o 131.5762 8.354830 179.5656       22.23867  234.8930       
40.28786  155.3199       26.66993  148.3461 13.50290 121.4759 10.91287 
26.87022       17.36142 
1 1 1 -17 10 20 o 56.04933 14.50340 34.92990       16.65730  29.99007       
22.98106  40.39793       24.17850  53.10806 17.92979 59.93818 18.22101 
-6.830124      25.56330 
1 1 1 -17 10 21 o 88.82536 10.03897 83.66573       17.81509  66.96606       
24.82732  101.3907       25.57813  76.79735 16.39639 96.45107 13.40326 
-19.65372      21.17756 
1 1 1 -17 10 22 o 49.17582 15.36276 27.03661       17.04881  17.93785       
23.65681  36.86870       24.59166  45.56835 17.74139 56.63693 18.53169 
-11.06858      25.65503 
1 1 1 -17 10 23 o 61.50588 16.55611 45.07040       21.16550  34.65603       
25.49690  68.15355       37.95930  54.44471 18.87181 71.80917 22.98548 
-17.36446      29.74016 
1 1 1 -17 10 24 o 112.8582 8.764267 136.1381       19.95632  141.7476       
28.61486  130.8260       27.84585  112.2264 12.76564 107.6006 12.98882 
4.625778       18.21184 
1 1 1 -17 11 1  f 76.22080 8.091294 60.65797       12.34953  61.82859       
17.75301  59.56039       17.19033  75.85708 11.90021 74.47598 11.73931 
1.381104       16.71605 
1 1 1 -17 11 2  o 108.2806 6.053371 120.5877       13.27568  107.1383       
17.96325  136.7749       19.70697  101.3860 8.800040 114.7270 8.507614 
-13.34102      12.24011 
1 1 1 -17 11 3  o 83.97551 7.288638 73.05584       12.32314  65.66396       
16.90431  81.43945       18.00261  78.67828 10.85456 87.94073 10.25972 
-9.262451      14.93598 
1 1 1 -17 11 4  o 61.66477 11.11232 40.76801       13.42200  40.50715       
16.77579  41.23202       22.37406  60.78693 13.87672 60.93435 17.26749 
-0.1474190     22.15242 
1 1 1 -17 11 5  o 39.21156 14.24654 13.73819       14.68345  13.73819       
14.68345  0.000000       0.000000  39.21156 14.24654 ?        ?        
0.000000       14.24654 
1 1 1 -17 11 6  o 113.1881 7.795138 132.3637       17.83283  132.3637       
17.83283  0.000000       0.000000  113.1881 7.795138 ?        ?        
0.000000       7.795138 
1 1 1 -17 11 7  o 160.1039 5.507828 262.0860       17.93221  253.5727       
21.20131  283.4847       33.61305  157.2864 6.628573 165.1567 10.05619 
-7.870316      12.04429 
1 1 1 -17 11 8  f 103.9610 7.158232 111.4178       15.04087  129.3171       
17.57236  62.37088       29.08826  111.9070 7.770008 74.51745 19.10569 
37.38957       20.62524 
1 1 1 -17 11 9  f 263.2530 5.143794 707.9747       27.53647  725.8143       
33.08071  667.7246       49.68945  266.2919 6.108935 254.1728 9.613550 
12.11909       11.39032 
1 1 1 -17 11 10 o 148.0822 7.272511 225.0672       21.89972  225.0672       
21.89972  0.000000       0.000000  148.0822 7.272511 ?        ?        
0.000000       7.272511 
1 1 1 -17 11 11 o 212.2274 5.234622 460.2180       22.59114  449.8997       
27.36513  482.2986       40.03132  209.5751 6.421056 216.1855 9.105880 
-6.610397      11.14213 
1 1 1 -17 11 12 o 85.17074 8.593141 75.48077       14.67967  78.94369       
17.71838  67.90085       26.21416  86.71690 10.24571 78.32258 16.95070 
8.394318       19.80658 
1 1 1 -17 11 13 o 134.0916 5.664916 183.9255       15.44708  173.2662       
21.19273  196.0071       22.56250  129.5022 8.087929 137.7680 8.089037 
-8.265762      11.43884 
1 1 1 -17 11 14 o 158.9671 5.259407 258.3258       17.00182  235.4789       
22.67409  287.6709       25.69705  151.3855 7.365363 167.2778 7.554285 
-15.89235      10.55063 
1 1 1 -17 11 15 o 263.5601 5.389163 710.4150       28.88367  714.6439       
46.80657  707.8143       36.70584  263.0960 8.748652 262.5993 6.873693 
0.4967041      11.12594 
1 1 1 -17 11 16 f 214.0613 5.630273 468.9754       24.50863  471.5386       
39.75303  467.4037       31.12850  213.4993 9.156351 213.2664 7.177686 
0.2328949      11.63434 
1 1 1 -17 11 17 o 104.3665 7.462238 112.6162       15.73286  110.7211       
21.36157  114.8629       23.25850  102.6946 10.37111 104.3722 11.13004 
-1.677544      15.21308 
1 1 1 -17 11 18 o 191.2532 5.496823 374.4055       21.37824  374.5301       
29.64387  374.2705       30.85956  190.6926 7.644509 190.5220 7.965135 
0.1705475      11.04001 
1 1 1 -17 11 19 o 133.0885 8.097844 183.5728       21.81179  173.3819       
39.76011  187.9600       26.08770  126.0244 15.86633 134.1561 9.626554 
-8.131760      18.55831 
1 1 1 -17 11 20 o 64.06223 13.32167 45.17963       16.78877  27.78634       
23.05161  64.82792       24.50039  51.68412 17.94240 75.87521 16.36031 
-24.19109      24.28147 
1 1 1 -17 11 21 o 54.26510 16.33907 33.15845       19.51022  14.07846       
23.99492  70.38294       33.51541  44.20614 17.66341 76.55764 20.92880 
-32.35150      27.38633 
1 1 1 -17 11 22 f 36.70630 14.85623 8.405353       17.21295  -9.479370      
24.25646  26.54697       24.43004  34.67970 15.76081 50.35550 18.36392 
-15.67580      24.19993 
1 1 1 -17 11 23 o 88.91631 10.58274 85.88226       18.75925  105.6050       
26.38538  65.72235       26.67619  96.69091 13.81168 73.36481 18.01302 
23.32610       22.69871 
1 1 1 -17 11 24 o 29.77825 13.78374 -11.02985      19.74599  -20.86994      
32.83106  -5.453052      24.71597  36.31683 17.12042 35.23761 15.97361 
1.079216       23.41506 
1 1 1 -17 12 1  f 219.1467 4.990320 491.3748       22.23897  455.8499       
35.11487  515.1662       28.73663  209.9538 8.224621 223.9710 6.309466 
-14.01720      10.36599 
1 1 1 -17 12 2  o 204.9075 4.503016 428.9726       18.76345  411.3648       
25.68008  449.1390       27.48259  200.1956 6.307981 209.1368 6.462130 
-8.941223      9.030490 
1 1 1 -17 12 3  o 124.9356 5.621570 159.8340       14.28220  172.4514       
20.13623  147.0603       20.26051  129.1541 7.701906 119.0344 8.424432 
10.11971       11.41448 
1 1 1 -17 12 4  o 99.30242 7.516041 102.0260       15.06507  112.6426       
17.81435  75.37080       28.22733  104.1292 8.486726 82.12335 17.44117 
22.00588       19.39636 
1 1 1 -17 12 5  o 150.5242 6.852103 232.5731       20.97402  232.5731       
20.97402  0.000000       0.000000  150.5242 6.852103 ?        ?        
0.000000       6.852103 
1 1 1 -17 12 6  o 138.7319 5.770582 196.9681       16.27974  186.7267       
19.77124  218.5321       28.68907  134.6366 7.248056 144.9385 9.791192 
-10.30186      12.18203 
1 1 1 -17 12 7  o 28.42260 12.01066 1.086795       11.93731  -3.413824      
14.73746  9.673055       20.35581  29.10968 12.81886 40.54279 16.24437 
-11.43311      20.69305 
1 1 1 -17 12 8  o 146.0846 5.607497 218.2591       16.65808  223.4257       
20.23231  207.3860       29.35100  147.6121 6.740188 141.0720 10.30254 
6.540100       12.31148 
1 1 1 -17 12 9  o 272.4599 6.099330 759.9814       33.79374  759.9814       
33.79374  0.000000       0.000000  272.4599 6.099330 ?        ?        
0.000000       6.099330 
1 1 1 -17 12 10 o 130.9250 7.731336 176.8045       20.49263  176.8045       
20.49263  0.000000       0.000000  130.9250 7.731336 ?        ?        
0.000000       7.731336 
1 1 1 -17 12 11 o 108.4552 8.490906 121.9126       18.57695  121.9126       
18.57695  0.000000       0.000000  108.4552 8.490906 ?        ?        
0.000000       8.490906 
1 1 1 -17 12 12 o 108.7664 6.310378 121.5906       13.89731  104.3196       
18.61695  143.3275       20.88564  100.0767 9.252695 117.5534 8.800843 
-17.47672      12.76978 
1 1 1 -17 12 13 o 109.0648 6.407684 122.3220       14.14898  117.3959       
19.76353  127.5014       20.26525  106.1909 9.244427 110.7437 9.078553 
-4.552773      12.95683 
1 1 1 -17 12 14 o 335.7740 4.677866 1151.378       31.94084  1103.135       
44.08950  1204.664       46.33656  327.9502 6.611132 342.6927 6.649172 
-14.74246      9.376490 
1 1 1 -17 12 15 o 61.08197 12.52504 40.48574       15.03539  54.53554       
22.94645  29.91540       19.90329  70.01202 16.40417 52.78052 16.61712 
17.23150       23.35007 
1 1 1 -17 12 16 f 113.1590 6.873293 131.9756       15.74142  108.8054       
21.55198  158.4708       23.04656  101.7334 10.57212 123.3945 9.251921 
-21.66107      14.04876 
1 1 1 -17 12 17 o 108.7395 7.427841 122.2198       16.32658  105.6105       
22.06371  142.3212       24.27255  100.0377 11.02916 116.5267 10.35105 
-16.48901      15.12569 
1 1 1 -17 12 18 o 204.5782 5.438957 428.4201       22.62697  414.5559       
30.64933  445.0278       33.54512  200.6295 7.512331 207.7169 7.941566 
-7.087341      10.93177 
1 1 1 -17 12 19 f 142.7356 7.668359 210.7611       22.17644  184.4008       
39.22761  223.1429       26.88488  130.3122 15.08192 146.3845 9.076286 
-16.07228      17.60236 
1 1 1 -17 12 20 o 109.2322 8.174321 124.2701       18.02578  150.8875       
25.04107  95.64373       25.96883  119.5837 10.40103 93.52291 14.09216 
26.06083       17.51487 
1 1 1 -17 12 21 o 36.80825 15.21474 6.341777       18.53049  15.62439       
22.80813  -11.68356      31.78310  44.24497 17.36541 39.66259 18.03143 
4.582386       25.03378 
1 1 1 -17 12 22 o 48.52547 15.75794 26.32005       17.79353  55.12677       
24.71712  -4.667610      25.63571  68.06944 17.69323 37.13719 16.59674 
30.93224       24.25907 
1 1 1 -17 12 23 o 31.28109 13.90166 -2.807756      17.72376  2.146755       
25.13080  -7.710859      25.00008  38.56203 16.86591 35.16824 15.98967 
3.393799       23.24066 
1 1 1 -17 12 24 o 144.5822 8.411495 222.8660       24.62399  179.5570       
41.25789  246.8288       30.68919  121.3040 17.20794 150.6905 10.07296 
-29.38641      19.93935 
1 1 1 -17 13 1  o 32.51483 12.94159 6.416657       12.83369  -9.997659      
19.97438  17.95665       16.74807  31.46453 14.30059 43.03735 15.26625 
-11.57282      20.91806 
1 1 1 -17 13 2  o 130.7107 5.463511 174.9929       14.52227  202.8185       
21.03119  149.6345       20.07720  140.1048 7.408078 120.0347 8.275726 
20.07005       11.10708 
1 1 1 -17 13 3  o 21.06411 10.11160 -17.61948      12.54857  -25.20496      
14.77938  1.973544       23.75284  21.64546 10.53002 39.22889 16.77225 
-17.58342      19.80378 
1 1 1 -17 13 4  o 164.1544 5.670052 275.9292       18.92740  262.6099       
22.33408  309.8750       35.65508  159.8802 6.869447 172.3176 10.22079 
-12.43739      12.31478 
1 1 1 -17 13 5  o 40.84197 12.16954 17.75259       10.86503  34.94398       
15.35275  0.5040650      15.37823  56.46170 13.54518 31.61057 13.50473 
24.85114       19.12720 
1 1 1 -17 13 6  o 126.0418 5.888164 162.6657       15.09197  159.3613       
18.76865  168.7113       25.38653  124.2769 7.461168 127.1951 9.892627 
-2.918152      12.39085 
1 1 1 -17 13 7  o 97.71281 6.931703 98.47634       13.68407  96.36806       
17.05131  102.2909       22.93594  96.23621 8.810799 98.34823 11.69774 
-2.112015      14.64470 
1 1 1 -17 13 8  o 174.0975 5.220812 309.8072       18.48341  307.4092       
22.74722  314.4672       31.71039  173.1815 6.459150 174.2894 8.977531 
-1.107864      11.05969 
1 1 1 -17 13 9  o 171.1608 5.297588 299.4741       18.43886  298.0284       
22.70622  302.2737       31.59657  170.5065 6.548659 170.8300 9.128499 
-0.3235016     11.23452 
1 1 1 -17 13 10 o 148.3472 6.798976 225.7394       20.51040  225.7394       
20.51040  0.000000       0.000000  148.3472 6.798976 ?        ?        
0.000000       6.798976 
1 1 1 -17 13 11 o 108.4516 7.257797 121.3292       15.91396  112.6819       
18.67413  144.2685       30.41502  104.1152 8.905828 116.5610 13.05592 
-12.44585      15.80414 
1 1 1 -17 13 12 o 206.3018 4.633206 434.5655       19.43731  448.9369       
27.06130  419.2493       27.93660  209.2975 6.358185 202.1454 6.796076 
7.152100       9.306620 
1 1 1 -17 13 13 o 115.0367 6.228105 135.9915       14.51520  132.6694       
19.83233  139.8241       21.30150  113.0526 8.693267 115.9641 9.106296 
-2.911514      12.58958 
1 1 1 -17 13 14 o 342.8783 5.387199 1202.555       37.56250  1119.931       
60.18039  1255.288       48.07738  329.1378 8.991370 349.7151 6.760441 
-20.57733      11.24937 
1 1 1 -17 13 15 o 194.9216 5.709878 389.0014       22.63279  402.9016       
36.08706  379.9887       29.05810  197.3677 8.991332 192.1892 7.435099 
5.178452       11.66725 
1 1 1 -17 13 16 o 128.3572 6.376408 169.0104       16.64363  154.6071       
22.90454  185.1241       24.22631  121.8229 9.316360 133.4748 8.977786 
-11.65189      12.93813 
1 1 1 -17 13 17 o 58.30725 12.30028 36.98579       14.12569  30.27340       
19.38409  44.58680       20.62730  52.82448 16.36132 63.23434 16.02197 
-10.40986      22.89970 
1 1 1 -17 13 18 o 38.10788 14.18029 12.39890       14.69003  3.261583       
20.00460  23.09273       21.64149  36.89961 15.56804 48.60439 17.34170 
-11.70478      23.30447 
1 1 1 -17 13 19 o 52.48512 21.12581 19.84183       34.60014  19.84183       
34.60014  0.000000       0.000000  52.48512 21.12581 ?        ?        
0.000000       21.12581 
1 1 1 -17 13 20 o 33.61841 14.02776 3.857984       15.96574  22.50077       
22.33797  -15.61158      22.82792  48.09072 17.55667 32.07375 14.83717 
16.01698       22.98648 
1 1 1 -17 13 21 o 41.19912 15.69530 14.70368       18.23226  31.66356       
22.63978  -16.59197      30.75408  53.34220 17.79694 37.56216 17.32165 
15.78004       24.83487 
1 1 1 -17 13 22 o 70.18742 23.35098 63.67146       38.98551  0.000000       
0.000000  63.67146       38.98551  ?        ?        70.18742 23.35098 
0.000000       23.35098 
1 1 1 -17 13 23 o 102.4085 9.702909 113.0227       19.96536  117.6174       
28.49155  108.5898       27.98582  101.3838 14.20996 97.04984 14.63537 
4.333961       20.39895 
1 1 1 -17 13 24 o 32.90310 14.72187 -2.493178      20.23456  -8.664237      
34.27936  0.8069001      25.06773  39.57245 18.26227 37.26138 16.54733 
2.311069       24.64396 
1 1 1 -17 14 1  o 162.2158 5.724544 269.9013       18.88363  243.6911       
32.37714  283.4137       23.24711  152.2404 10.52278 165.9030 6.890700 
-13.66260      12.57818 
1 1 1 -17 14 2  o 208.0395 5.110260 442.9816       21.61924  462.7181       
35.03573  430.8456       27.47344  211.5525 8.144071 204.7200 6.599354 
6.832565       10.48224 
1 1 1 -17 14 3  o 67.46380 10.71659 48.62214       14.21046  48.29711       
16.66127  49.48965       27.21951  66.62099 12.76299 65.97863 19.15627 
0.6423645      23.01861 
1 1 1 -17 14 4  o 217.8839 4.354228 484.7914       19.29247  472.4967       
26.70998  498.2021       27.89598  214.6511 6.119122 220.3800 6.224693 
-5.728928      8.728714 
1 1 1 -17 14 5  o 99.19360 6.205365 101.2708       12.45412  125.8141       
17.80909  77.78052       17.42283  110.1900 8.002427 85.93917 10.16657 
24.25084       12.93824 
1 1 1 -17 14 6  o 57.38700 9.676100 35.02444       10.89021  52.50581       
15.49774  17.97251       15.30620  70.12436 11.24819 42.61654 14.63041 
27.50782       18.45455 
1 1 1 -17 14 7  o 51.73484 10.58214 28.79880       10.75752  34.62342       
14.89517  22.44836       15.55299  56.27591 13.23744 46.20412 14.70494 
10.07179       19.78547 
1 1 1 -17 14 8  o 191.7042 4.525237 375.2066       17.64104  381.9536       
24.41194  367.8324       25.52143  193.0686 6.217834 189.3666 6.627508 
3.702042       9.087646 
1 1 1 -17 14 9  o 113.1079 5.794003 131.2852       13.28198  150.0345       
18.34080  110.6094       19.26001  120.5713 7.517813 103.0205 9.293568 
17.55074       11.95357 
1 1 1 -17 14 10 o 94.60117 6.575903 92.20831       12.57175  100.6332       
17.82737  83.87399       17.73131  98.29980 9.018894 89.43808 9.916046 
8.861725       13.40405 
1 1 1 -17 14 11 o 101.6765 7.446365 106.8327       15.28921  110.9723       
18.19049  96.87067       28.21912  103.3302 8.738888 94.41442 15.21492 
8.915817       17.54600 
1 1 1 -17 14 12 o 132.8909 6.348134 181.0382       17.15508  194.8300       
20.93232  152.8251       29.93866  137.4368 7.518170 120.1373 12.43471 
17.29944       14.53083 
1 1 1 -17 14 13 o 53.86134 11.73031 31.45162       12.48418  29.26660       
17.05687  33.97266       18.32150  51.84690 15.19619 55.56873 15.58328 
-3.721832      21.76609 
1 1 1 -17 14 14 o 287.9561 5.242183 848.0565       30.69658  923.9633       
52.12852  807.7628       37.97987  299.1055 8.570369 280.5290 6.657701 
18.57654       10.85248 
1 1 1 -17 14 15 o 76.97266 9.069846 62.12740       13.92420  53.18478       
18.82989  72.91782       20.68401  69.79118 13.75679 82.36005 12.76293 
-12.56888      18.76543 
1 1 1 -17 14 16 o 155.1011 5.578082 246.3139       17.59346  253.4005       
24.05996  238.1703       25.79207  156.8643 7.542569 151.6270 8.397614 
5.237289       11.28762 
1 1 1 -17 14 17 o 152.9705 5.901525 239.8435       18.35792  232.4651       
25.74338  247.4780       26.18631  149.7317 8.489676 154.5490 8.363262 
-4.817307      11.91716 
1 1 1 -17 14 18 o 98.64890 8.122738 101.1963       16.14986  94.17841       
22.57900  108.5475       23.10893  93.87653 12.10993 101.1297 11.43805 
-7.253189      16.65771 
1 1 1 -17 14 19 o 153.7754 6.308154 243.0310       19.72607  241.1415       
27.81633  244.9426       27.97812  152.0747 9.035402 153.2805 9.015643 
-1.205826      12.76402 
1 1 1 -17 14 20 o 141.8432 6.757239 207.4966       19.49078  176.5714       
26.87023  241.8361       28.31473  129.2753 10.30692 151.9610 9.206249 
-22.68564      13.81982 
1 1 1 -17 14 21 o 62.55260 15.49117 44.90783       19.60194  55.01213       
24.67884  27.63787       32.26393  68.41964 17.62826 53.52617 20.75254 
14.89347       27.22909 
1 1 1 -17 14 22 f 30.91610 14.11335 -8.949972      19.72804  -35.60950      
23.49270  54.81799       36.33356  27.30979 13.28337 65.59680 22.53994 
-38.28702      26.16289 
1 1 1 -17 14 23 o 28.16048 13.01650 -10.31416      17.51754  23.17749       
24.24491  -46.89480      25.33832  47.00826 18.05370 26.48772 13.06748 
20.52053       22.28666 
1 1 1 -17 14 24 o 155.6933 8.173711 258.5998       25.78811  284.5674       
43.33383  244.3608       32.08876  156.9041 13.71922 148.9140 10.66725 
7.990143       17.37835 
1 1 1 -17 15 1  o 118.6497 6.470507 145.2093       15.55296  129.2649       
27.63124  152.6037       18.81692  109.7437 12.61052 121.2975 7.668076 
-11.55383      14.75888 
1 1 1 -17 15 2  o 141.0901 7.202630 205.6758       20.59634  184.7969       
26.18380  239.5611       33.35682  132.8277 9.762164 150.7738 10.95429 
-17.94611      14.67298 
1 1 1 -17 15 3  f 30.42087 13.41897 -3.522819      16.21708  -5.179094      
20.17763  -0.5008990     27.25496  33.43367 14.84675 40.67954 17.68224 
-7.245872      23.08869 
1 1 1 -17 15 4  o 109.6891 5.863302 123.6798       13.03112  115.1016       
18.18633  132.7312       18.68119  105.1470 8.580244 113.0757 8.179463 
-7.928719      11.85429 
1 1 1 -17 15 5  o 74.27170 7.561100 57.38183       11.26058  39.36653       
15.27006  78.85648       16.67183  60.03119 12.89345 86.65686 9.623343 
-26.62567      16.08881 
1 1 1 -17 15 6  o 112.3603 5.464351 129.2081       12.48541  145.8117       
17.42500  111.6896       17.89861  118.8557 7.244016 103.6377 8.569665 
15.21790       11.22118 
1 1 1 -17 15 7  o 50.78337 11.03653 27.89102       11.07188  30.90959       
15.03648  24.31611       16.36357  53.08763 13.80058 47.83470 15.06835 
5.252926       20.43309 
1 1 1 -17 15 8  o 148.1264 4.924616 224.2282       14.83393  227.9282       
20.85622  220.4402       21.10265  148.9843 6.884047 146.4739 7.084762 
2.510330       9.878459 
1 1 1 -17 15 9  o 94.63204 6.362234 92.22244       12.17217  85.31480       
16.59662  100.2630       17.90596  90.37923 9.156627 98.06845 9.081866 
-7.689217      12.89667 
1 1 1 -17 15 10 o 141.1701 5.002864 203.6838       14.36193  203.8253       
19.91635  203.5304       20.72973  140.8807 6.951952 140.5301 7.278874 
0.3505707      10.06537 
1 1 1 -17 15 11 o 133.2736 5.369289 181.6858       14.55165  200.3176       
20.68419  163.4278       20.47569  139.3961 7.322516 125.6831 8.053815 
13.71303       10.88500 
1 1 1 -17 15 12 o 157.9064 5.891181 255.3949       18.91706  251.0571       
22.36048  266.3162       35.47993  156.3162 7.034375 159.4497 11.00972 
-3.133423      13.06508 
1 1 1 -17 15 13 o 229.5567 5.183776 538.9210       24.19846  504.3015       
38.66727  561.2078       31.02472  220.9398 8.606331 233.8601 6.523796 
-12.92023      10.79948 
1 1 1 -17 15 14 f 80.38734 9.261443 67.78368       14.86287  47.71184       
21.60486  85.81781       20.47885  65.36909 16.30678 89.90987 11.46142 
-24.54078      19.93177 
1 1 1 -17 15 15 o 204.3661 4.919993 426.9946       20.44677  439.7140       
28.70021  413.8851       29.13695  206.8659 6.822520 200.5974 7.142781 
6.268478       9.877556 
1 1 1 -17 15 16 o 207.3159 5.049821 439.5930       21.28924  430.7739       
29.62553  449.0103       30.61384  204.6318 7.119369 208.8883 7.206964 
-4.256454      10.13044 
1 1 1 -17 15 17 o 91.73485 8.428261 87.71426       15.54674  125.5199       
22.32430  52.11388       21.66341  109.3274 10.15759 68.29671 15.89621 
41.03068       18.86441 
1 1 1 -17 15 18 o 59.31008 13.09565 38.67044       15.37235  7.139781       
21.58171  71.14210       21.90138  39.78588 16.43050 80.71186 13.84219 
-40.92598      21.48412 
1 1 1 -17 15 19 o 59.00839 13.84034 38.70634       16.32061  59.52998       
22.86812  17.08951       23.29959  72.70625 15.90912 45.61607 17.64950 
27.09018       23.76142 
1 1 1 -17 15 20 o 77.40036 11.05573 64.47913       16.90685  40.95251       
23.47768  89.82160       24.36688  59.65459 17.91492 90.40482 13.68211 
-30.75024      22.54206 
1 1 1 -17 15 21 o 58.31482 15.93540 39.36456       19.43491  45.91216       
24.58504  28.45572       31.73360  62.22575 18.24568 53.46722 20.62273 
8.758533       27.53547 
1 1 1 -17 15 22 o 114.4415 9.750218 140.3137       22.47441  133.1587       
26.71439  157.6421       41.57370  109.9522 12.15091 114.4078 18.50097 
-4.455589      22.13437 
1 1 1 -17 15 23 o 117.0255 8.506227 146.1064       20.10428  156.7717       
28.23745  135.1424       28.63010  118.7004 11.85691 109.0706 13.17510 
9.629852       17.72483 
1 1 1 -17 16 1  o 208.9906 4.897053 447.1408       20.81197  396.9281       
39.20300  466.8457       24.55837  194.6176 9.938852 213.3014 5.661798 
-18.68384      11.43839 
1 1 1 -17 16 2  o 99.80361 7.791587 103.5457       15.68800  123.6985       
18.36190  49.06892       30.18942  108.9662 8.350096 65.37173 20.44664 
43.59450       22.08595 
1 1 1 -17 16 3  o 98.31580 7.415687 100.2251       14.71695  129.5869       
23.15802  80.33353       19.06094  110.9035 10.38953 86.89518 11.03577 
24.00832       15.15687 
1 1 1 -17 16 4  o 160.1550 5.296883 262.6136       17.25092  288.2067       
28.57074  247.9298       21.64107  166.6844 8.456679 155.2513 6.854758 
11.43315       10.88591 
1 1 1 -17 16 5  o 69.02103 8.281726 49.89553       11.39185  63.80222       
16.19432  36.27305       16.02798  77.54292 10.54334 57.33329 13.89306 
20.20962       17.44074 
1 1 1 -17 16 6  o 62.07517 8.958422 40.67300       10.98110  25.32256       
15.29499  57.00286       15.77539  48.35210 14.44605 73.13873 10.94300 
-24.78662      18.12285 
1 1 1 -17 16 7  o 77.37715 8.807754 62.68463       13.61196  33.54550       
25.97083  73.72115       15.98320  56.33680 19.06024 83.79205 9.550794 
-27.45525      21.31925 
1 1 1 -17 16 8  o 237.1275 6.105985 576.3959       29.44347  0.000000       
0.000000  576.3959       29.44347  ?        ?        237.1275 6.105985 
0.000000       6.105985 
1 1 1 -17 16 9  o 122.6226 5.533605 153.9005       13.79845  167.5324       
19.02758  138.7799       20.03963  127.4067 7.375673 115.6048 8.585671 
11.80186       11.31876 
1 1 1 -17 16 10 o 115.1389 5.703355 135.7432       13.35377  148.5059       
18.77569  122.6787       18.99640  119.8365 7.746142 108.6320 8.671542 
11.20454       11.62748 
1 1 1 -17 16 11 o 273.1945 4.413069 762.0947       24.51682  774.8076       
34.69301  749.4126       34.65107  274.8951 6.206169 270.3169 6.303649 
4.578186       8.846046 
1 1 1 -17 16 12 o 39.52869 14.72010 13.32211       15.83561  30.55710       
20.29011  -13.53539      25.32863  53.20352 16.78121 35.09274 16.00900 
18.11077       23.19261 
1 1 1 -17 16 13 o 25.70985 11.99344 -13.63156      15.40583  -22.95582      
19.47023  1.980500       25.19382  27.16646 12.91780 40.31809 17.25664 
-13.15163      21.55601 
1 1 1 -17 16 14 o 164.8676 5.238312 278.1174       17.56217  274.6964       
24.09451  281.9950       25.65190  163.3809 7.252126 165.4328 7.625118 
-2.051849      10.52311 
1 1 1 -17 16 15 o 249.5433 4.758758 636.5319       24.14855  591.8764       
32.85166  689.0253       35.61826  239.9955 6.731360 258.9301 6.764548 
-18.93460      9.543077 
1 1 1 -17 16 16 o 45.85085 13.48525 22.75958       13.41168  40.06902       
18.23748  2.374266       19.79166  60.04476 14.98417 36.30321 15.40978 
23.74155       21.49388 
1 1 1 -17 16 17 o 121.2098 6.800604 151.5657       16.69472  139.7736       
22.68230  165.5055       24.66147  115.5020 9.748172 125.7592 9.718770 
-10.25722      13.76522 
1 1 1 -17 16 18 o 73.13968 10.72886 57.13904       15.48288  55.56266       
21.70765  58.77137       22.08955  70.44023 15.56875 72.53108 15.44968 
-2.090851      21.93350 
1 1 1 -17 16 19 o 125.5435 7.272977 163.3301       18.48815  158.4249       
25.96488  168.3748       26.33136  122.3842 10.53570 126.2798 10.34465 
-3.895592      14.76525 
1 1 1 -17 16 20 o 94.46981 10.67200 95.41340       20.14229  108.4484       
35.48977  89.21946       24.46419  96.29092 18.79910 89.86880 13.83004 
6.422119       23.33829 
1 1 1 -17 16 21 o 26.55771 12.43365 -14.27025      16.80388  -15.35708      
23.59067  -13.15084      23.94177  32.28971 14.98843 33.20050 15.30079 
-0.9107933     21.41885 
1 1 1 -17 16 22 o 54.64802 15.32527 35.28919       17.71972  40.67209       
25.08406  29.92735       25.03495  57.57129 18.71043 51.25446 18.60539 
6.316830       26.38637 
1 1 1 -17 16 23 o 68.64009 14.21131 55.59112       19.18325  36.95622       
27.31076  73.73863       26.95124  54.21598 19.46656 76.61671 17.66038 
-22.40073      26.28376 
1 1 1 -17 17 1  o 39.26809 15.25757 11.79202       17.46924  -22.72491      
25.28287  43.32536       24.16547  32.20225 15.13199 61.53495 18.10249 
-29.33271      23.59401 
1 1 1 -17 17 2  o 81.96688 9.186724 70.74603       15.04924  79.09011       
17.30547  44.85870       30.48158  86.44578 10.03082 62.88485 20.63465 
23.56093       22.94354 
1 1 1 -17 17 3  o 122.2547 5.628196 153.2705       13.99220  138.6879       
19.73395  168.0139       19.84243  115.3841 8.469578 127.3078 7.700817 
-11.92372      11.44711 
1 1 1 -17 17 4  o 68.67173 9.484833 49.91897       12.89166  52.30652       
21.87589  48.64865       15.95685  68.23521 16.03658 66.97002 12.16504 
1.265190       20.12859 
1 1 1 -17 17 5  o 72.20510 10.62037 55.54885       15.12817  0.000000       
0.000000  55.54885       15.12817  ?        ?        72.20510 10.62037 
0.000000       10.62037 
1 1 1 -17 17 6  o 48.85660 12.87033 26.13883       12.96512  17.33623       
25.48578  29.21231       15.05939  47.19587 18.40348 51.52770 14.00522 
-4.331833      23.12648 
1 1 1 -17 17 7  o 100.8499 7.580030 105.3686       15.43154  100.7070       
28.26172  107.3488       18.41977  96.08514 14.95016 101.4108 9.026370 
-5.325630      17.46375 
1 1 1 -17 17 8  o 50.48426 12.74116 27.89189       13.08091  45.82110       
23.69973  20.03697       15.68678  63.82492 17.66180 44.25588 14.81410 
19.56904       23.05204 
1 1 1 -17 17 9  o 130.5222 6.486712 174.8745       17.21712  149.0469       
30.93423  186.4658       20.72355  118.1556 13.09480 134.3308 7.617777 
-16.17527      15.14940 
1 1 1 -17 17 10 o 78.26945 7.783969 63.73997       12.22490  68.69013       
17.27574  58.77503       17.30151  80.46540 10.83316 74.01067 11.89895 
6.454727       16.09168 
1 1 1 -17 17 11 o 67.67986 10.69517 48.85542       14.23063  41.12835       
21.63100  54.75170       18.89552  60.67886 16.90271 70.83413 13.61250 
-10.15527      21.70257 
1 1 1 -17 17 12 o 24.46155 11.18889 -7.897373      12.47772  -23.32590      
18.02733  6.291907       17.28818  25.61348 12.24864 36.26875 14.81025 
-10.65527      19.21907 
1 1 1 -17 17 13 o 114.3439 8.290121 135.7529       19.14543  155.4572       
25.46827  110.1488       29.03182  121.7081 10.38984 100.7110 14.60156 
20.99708       17.92079 
1 1 1 -17 17 14 o 119.6684 6.234883 147.3477       15.12008  149.2963       
20.72508  145.1304       22.10788  119.8398 8.560749 117.9166 9.295148 
1.923103       12.63670 
1 1 1 -17 17 15 o 174.3011 5.148121 310.8975       18.24737  303.0017       
24.93093  320.0076       26.77946  171.5641 7.145959 176.2114 7.473369 
-4.647308      10.34002 
1 1 1 -17 17 16 o 282.7584 4.747259 817.4910       27.29667  833.5453       
38.67456  801.5545       38.53249  284.7441 6.679120 279.1764 6.787298 
5.567688       9.522503 
1 1 1 -17 17 17 o 34.00588 13.64520 6.670308       14.38595  -3.497291      
19.59132  18.56780       21.19250  33.53340 14.77270 45.54171 17.01509 
-12.00832      22.53321 
1 1 1 -17 17 18 o 138.6774 6.438812 197.8394       18.15778  204.8474       
24.87812  189.8503       26.56252  140.1608 8.772669 134.5061 9.778161 
5.654709       13.13667 
1 1 1 -17 17 19 o 148.9767 6.483249 228.7065       19.64095  228.8045       
27.20215  228.5997       28.38884  147.8039 9.094502 147.5357 9.513053 
0.2681732      13.16086 
1 1 1 -17 17 20 o 81.86868 12.81300 73.72465       20.63188  58.77571       
36.13773  80.95362       25.13009  69.07838 22.45806 84.67477 15.15072 
-15.59639      27.09075 
1 1 1 -17 17 21 o 66.25757 15.88095 51.43710       21.11876  71.07339       
25.65130  10.12411       37.20686  77.66019 16.73614 48.00814 20.76348 
29.65206       26.66872 
1 1 1 -17 17 22 o 30.15519 13.50764 -3.928535      17.08580  -12.92197      
24.04784  5.239200       24.27976  32.76746 15.18285 38.98289 16.81663 
-6.215427      22.65652 
1 1 1 -17 17 23 o 78.27849 13.93686 71.94499       21.37176  93.63860       
35.60386  59.72547       26.72135  82.63701 21.11044 67.46065 18.78468 
15.17636       28.25800 
1 1 1 -17 18 1  o 223.7561 5.906397 514.5137       26.87503  523.5081       
44.02160  509.1698       33.93232  223.7166 9.676454 221.8619 7.521065 
1.854660       12.25562 
1 1 1 -17 18 2  o 31.04771 12.25462 6.242674       11.41851  1.451453       
15.80587  11.47271       16.51381  32.23979 13.73028 38.45850 14.86473 
-6.218704      20.23563 
1 1 1 -17 18 3  o 84.54833 7.142190 74.22751       12.16479  55.56229       
16.91107  94.24258       17.51189  71.61676 12.03909 94.73637 9.206291 
-23.11961      15.15571 
1 1 1 -17 18 4  o 135.8454 7.215866 190.7862       19.86207  0.000000       
0.000000  190.7862       19.86207  ?        ?        135.8454 7.215866 
0.000000       7.215866 
1 1 1 -17 18 5  f 53.53054 13.80756 31.70131       15.12894  0.000000       
0.000000  31.70131       15.12894  ?        ?        53.53054 13.80756 
0.000000       13.80756 
1 1 1 -17 18 6  o 49.58705 14.47881 26.92311       15.51058  0.000000       
0.000000  26.92311       15.51058  ?        ?        49.58705 14.47881 
0.000000       14.47881 
1 1 1 -17 18 7  o 36.47349 14.10505 9.852487       14.87525  0.000000       
0.000000  9.852487       14.87525  ?        ?        36.47349 14.10505 
0.000000       14.10505 
1 1 1 -17 18 8  o 125.2236 6.422722 161.4333       16.30020  121.3693       
29.19531  179.5779       19.64760  106.0549 13.86954 131.8421 7.357656 
-25.78716      15.70029 
1 1 1 -17 18 9  o 134.1066 7.604985 185.9524       20.65421  0.000000       
0.000000  185.9524       20.65421  ?        ?        134.1066 7.604985 
0.000000       7.604985 
1 1 1 -17 18 10 o 65.26353 13.15732 46.53719       16.85886  0.000000       
0.000000  46.53719       16.85886  ?        ?        65.26353 13.15732 
0.000000       13.15732 
1 1 1 -17 18 11 o 237.7294 5.082757 578.1757       24.57162  564.3436       
39.46382  586.9330       31.40098  233.6748 8.304927 239.0726 6.458949 
-5.397812      10.52092 
1 1 1 -17 18 12 f 40.88055 13.60805 17.04658       13.23927  9.964618       
19.03008  23.68939       18.43061  39.51712 15.74953 47.80660 16.05724 
-8.289482      22.49183 
1 1 1 -17 18 13 o 81.77789 9.211449 70.22524       15.05170  71.34963       
17.73727  67.33239       28.45051  81.92694 10.91835 76.84180 18.44184 
5.085136       21.43156 
1 1 1 -17 18 14 o 55.79373 11.64043 33.84011       12.77987  46.27925       
16.97071  17.54541       19.42352  64.98564 13.29020 44.12796 16.32832 
20.85768       21.05335 
1 1 1 -17 18 15 o 81.40826 8.610751 69.36321       14.03843  78.83103       
19.16414  58.39941       20.62268  86.04174 11.21991 72.77567 14.44469 
13.26608       18.29032 
1 1 1 -17 18 16 o 86.39841 8.576167 78.06003       14.86872  89.57457       
20.71024  65.81176       21.35991  91.71510 11.34643 77.44932 14.08090 
14.26578       18.08350 
1 1 1 -17 18 17 f 82.96505 8.936858 72.28788       14.83964  73.70941       
20.07382  70.57487       22.03600  82.64984 12.32008 80.18405 14.02506 
2.465790       18.66780 
1 1 1 -17 18 18 o 127.0480 7.045197 167.0573       18.13042  175.9688       
25.43370  157.8501       25.85198  129.3863 9.737916 122.1787 10.50734 
7.207588       14.32589 
1 1 1 -17 18 19 o 24.45990 11.57746 -16.43483      15.29171  -18.26405      
20.97869  -14.36114      22.33661  29.54099 13.85016 31.85790 14.71596 
-2.316908      20.20857 
1 1 1 -17 18 20 o 45.19935 16.85261 19.83586       20.76880  -13.68643      
37.04852  35.19800       25.08014  41.86090 19.19604 55.45343 18.73070 
-13.59254      26.82027 
1 1 1 -17 18 21 o 30.44345 13.94593 -9.499305      19.48487  -26.56693      
22.93621  34.75940       36.93470  28.68673 13.74413 56.28612 22.09604 
-27.59939      26.02184 
1 1 1 -17 18 22 o 35.73631 14.75522 7.948627       17.40009  2.984715       
24.40974  13.07668       24.81003  37.97601 16.61556 42.23502 17.54333 
-4.259014      24.16289 
1 1 1 -17 18 23 o 63.39329 16.00044 50.12901       20.62806  19.07383       
33.48825  69.11684       26.18563  46.79102 19.95786 73.24946 17.76274 
-26.45844      26.71762 
1 1 1 -17 19 1  o 38.11543 14.68723 11.54753       16.08345  5.895188       
22.82256  17.12411       22.66908  39.72942 16.68799 45.07888 17.41818 
-5.349461      24.12223 
1 1 1 -17 19 2  f 100.1137 7.852323 104.4260       15.85791  108.2039       
30.41101  103.0151       18.58465  98.57089 15.69808 98.93898 9.347857 
-0.3680878     18.27052 
1 1 1 -17 19 3  o 61.95377 9.261451 40.81384       11.30996  18.77774       
16.40441  60.77815       15.61423  43.30780 15.13022 75.46928 10.45499 
-32.16148      18.39104 
1 1 1 -17 19 4  o 168.7857 5.503078 292.1403       18.88829  354.2754       
35.62675  267.8468       22.27680  184.0791 9.550252 161.2577 6.793303 
22.82141       11.71991 
1 1 1 -17 19 5  o 169.3024 6.530474 294.8252       22.48326  0.000000       
0.000000  294.8252       22.48326  ?        ?        169.3024 6.530474 
0.000000       6.530474 
1 1 1 -17 19 6  o 42.40980 12.44037 19.42675       11.42717  10.42209       
18.84725  24.66108       14.36960  39.53479 15.69977 47.52103 13.95344 
-7.986244      21.00431 
1 1 1 -17 19 7  o 102.2311 6.750279 107.9622       13.95420  119.8869       
22.20544  100.1798       17.93877  106.6587 10.36899 97.82089 9.123257 
8.837761       13.81122 
1 1 1 -17 19 8  f 122.8611 5.992195 154.8739       14.97104  140.3505       
22.47249  166.4630       20.07437  115.7658 9.633432 126.7431 7.827024 
-10.97734      12.41230 
1 1 1 -17 19 9  f 76.98476 11.35860 63.39406       17.24783  0.000000       
0.000000  63.39406       17.24783  ?        ?        76.98476 11.35860 
0.000000       11.35860 
1 1 1 -17 19 10 o 95.08151 9.740623 95.00171       18.56780  0.000000       
0.000000  95.00171       18.56780  ?        ?        95.08151 9.740623 
0.000000       9.740623 
1 1 1 -17 19 11 o 102.8946 7.520194 109.7270       15.62623  141.2210       
25.51143  90.81615       19.76863  115.6483 10.97951 92.63293 10.69075 
23.01541       15.32455 
1 1 1 -17 19 12 o 19.01119 9.231133 -18.75866      11.21692  -10.90324      
14.98789  -28.76056      16.91208  26.15431 12.07192 23.09417 11.24146 
3.060139       16.49551 
1 1 1 -17 19 13 o 126.6464 5.927914 164.5456       15.26673  200.8364       
21.02886  124.1017       22.19952  139.3697 7.446823 108.6166 10.16905 
30.75302       12.60415 
1 1 1 -17 19 14 o 139.5359 6.411798 200.0727       18.19353  201.2040       
21.93992  197.5824       32.55310  139.3803 7.771669 136.4871 11.84617 
2.893173       14.16795 
1 1 1 -17 19 15 f 73.64438 9.464174 57.29463       13.84541  68.68823       
18.84944  43.94490       20.40348  79.92374 11.96573 62.51145 15.98723 
17.41228       19.96923 
1 1 1 -17 19 16 o 204.5711 4.985217 428.3923       20.73862  412.9008       
28.23053  446.5533       30.56618  200.2097 6.933977 208.0942 7.223204 
-7.884445      10.01273 
1 1 1 -17 19 17 o 83.32694 9.258957 73.17219       15.42385  49.69189       
21.13162  99.94353       22.56400  66.30013 15.88238 96.61214 11.72531 
-30.31201      19.74165 
1 1 1 -17 19 18 o 100.2908 8.249860 105.1587       16.67596  120.9212       
23.14632  88.14696       24.04616  106.5785 10.83021 89.64748 13.61878 
16.93100       17.40013 
1 1 1 -17 19 19 o 92.39227 9.257607 90.33065       17.15944  103.7005       
24.09093  76.56239       24.44722  97.61375 12.41753 82.35353 15.15657 
15.26022       19.59379 
1 1 1 -17 19 20 o 114.3395 9.854952 139.4150       22.69024  109.8799       
42.16242  151.4563       26.92114  92.70238 22.57584 118.3465 11.32457 
-25.64416      25.25696 
1 1 1 -17 19 21 o 47.81861 16.70190 25.77774       19.98890  11.35768       
23.61190  62.25160       37.55245  41.36909 17.14332 68.03761 22.91996 
-26.66852      28.62199 
1 1 1 -17 19 22 o 75.21758 14.29797 66.59888       21.07040  80.37472       
26.05980  40.59037       35.80716  81.18548 16.35034 56.35429 21.85865 
24.83118       27.29715 
1 1 1 -17 19 23 o 82.11657 13.01883 78.71784       21.01448  80.09350       
34.14531  77.87909       26.66197  74.55348 21.40051 77.97082 17.27053 
-3.417336      27.50006 
1 1 1 -17 20 1  f 166.2672 5.188647 283.6234       17.54334  242.5244       
32.90596  299.9440       20.73607  151.1870 10.77355 170.7358 5.972421 
-19.54883      12.31825 
1 1 1 -17 20 2  o 130.3031 6.035181 174.6371       15.99176  196.5159       
32.89801  167.8676       18.29925  135.4572 12.06952 127.2858 7.097974 
8.171379       14.00195 
1 1 1 -17 20 3  o 115.2373 6.904829 137.4620       16.10613  102.4162       
30.11882  151.4972       19.06033  95.65758 16.05207 120.7056 7.806994 
-25.04802      17.84987 
1 1 1 -17 20 4  o 67.09128 10.67764 48.34631       14.07954  33.57716       
27.42049  53.63438       16.40764  55.97742 19.56124 70.32336 11.89784 
-14.34594      22.89543 
1 1 1 -17 20 5  o 84.25307 7.149448 73.72960       12.13363  104.8736       
17.45420  44.60336       16.87933  100.1454 8.655807 63.52705 13.48321 
36.61837       16.02248 
1 1 1 -17 20 6  o 39.99709 11.84091 17.20166       10.31091  -0.5372844     
14.70874  34.34134       14.45815  30.24376 13.06772 55.78209 12.98832 
-25.53833      18.42449 
1 1 1 -17 20 7  o 35.35395 12.52594 11.77913       11.27191  -2.573180      
16.60067  24.05671       15.35399  31.15541 13.66504 47.13801 14.55515 
-15.98260      19.96461 
1 1 1 -17 20 8  o 33.01307 12.43666 8.827579       11.36770  -4.444163      
16.86101  19.88737       15.39194  30.61291 13.58405 43.87022 14.67428 
-13.25731      19.99652 
1 1 1 -17 20 9  o 92.01948 7.248974 87.80161       13.45478  82.16699       
20.32037  92.20049       17.95440  87.64773 11.69252 93.65601 9.561309 
-6.008286      15.10409 
1 1 1 -17 20 10 o 80.36826 11.10814 68.93339       17.66890  0.000000       
0.000000  68.93339       17.66890  ?        ?        80.36826 11.10814 
0.000000       11.10814 
1 1 1 -17 20 11 o 222.9899 5.402332 509.4527       24.49729  451.3254       
43.70974  536.0724       29.57946  207.7895 10.34435 228.4038 6.368476 
-20.61427      12.14755 
1 1 1 -17 20 12 o 24.97378 11.11407 -3.723894      11.36692  -8.388657      
15.10672  2.363809       17.25767  27.21420 12.39497 34.08683 14.42476 
-6.872635      19.01864 
1 1 1 -17 20 13 o 217.1795 4.748511 482.4578       20.97141  493.7927       
29.19683  470.3773       30.14186  219.1254 6.552265 213.7216 6.935380 
5.403870       9.541052 
1 1 1 -17 20 14 o 79.53491 9.942094 66.96192       15.72877  63.72294       
18.64417  74.95811       29.29410  76.75439 12.36512 80.94238 18.23489 
-4.187981      22.03196 
1 1 1 -17 20 15 o 165.0388 5.386106 279.1549       18.07642  282.9922       
25.12529  275.0375       26.02635  165.5676 7.462499 163.0939 7.847370 
2.473694       10.82913 
1 1 1 -17 20 16 f 80.38521 9.224342 68.11634       14.80563  78.22673       
20.70684  57.54087       21.17775  85.11438 12.32203 71.78616 14.99112 
13.32822       19.40531 
1 1 1 -17 20 17 o 104.9505 7.689761 114.6163       16.29727  122.0694       
22.82894  106.8703       23.27312  107.2514 10.60621 99.84388 11.68349 
7.407516       15.77960 
1 1 1 -17 20 18 o 149.4353 6.400307 230.2635       19.44937  223.7305       
27.49990  236.8018       27.51123  145.8978 9.317597 150.2531 9.046162 
-4.355362      12.98656 
1 1 1 -17 20 19 f 38.00938 14.63179 12.00051       15.94982  20.48597       
22.42904  3.319475       22.68607  46.27415 17.46080 38.12651 16.34845 
8.147648       23.91969 
1 1 1 -17 20 20 o 51.30935 16.97401 30.29348       20.61041  20.98899       
39.58959  33.75280       24.13963  52.22713 21.96054 53.86329 18.37525 
-1.636162      28.63416 
1 1 1 -17 20 21 o 54.54717 15.17042 35.45894       17.43905  39.30672       
24.39320  31.43640       24.94101  56.31485 18.45824 51.66187 18.59720 
4.652988       26.20234 
1 1 1 -17 20 22 o 29.97650 13.79229 -8.579528      19.34554  -3.484183      
23.90646  -18.24621      32.92814  34.94458 15.78703 36.44760 17.17099 
-1.503017      23.32537 
1 1 1 -17 21 1  o 55.45961 11.81881 33.92970       12.92148  15.39190       
24.58667  41.00370       15.18810  44.92942 17.90332 60.79308 12.69535 
-15.86367      21.94768 
1 1 1 -17 21 2  o 173.2280 5.152792 307.8108       18.15149  344.4733       
37.92887  296.9198       20.67246  180.5879 10.37185 169.8762 5.984231 
10.71173       11.97440 
1 1 1 -17 21 3  o 133.0153 6.462391 182.2964       17.48019  154.3460       
32.83173  193.3539       20.65040  118.9793 13.82760 136.4971 7.467982 
-17.51774      15.71538 
1 1 1 -17 21 4  f 35.97811 12.51567 12.65680       11.21904  12.68045       
16.06984  12.63432       15.66994  38.88456 14.75386 38.60577 14.58803 
0.2787933      20.74818 
1 1 1 -17 21 5  o 193.5663 4.456348 383.2249       17.54125  361.5348       
24.37315  406.5313       25.26502  187.4234 6.394939 198.7988 6.249633 
-11.37538      8.941653 
1 1 1 -17 21 6  o 155.4746 4.762071 247.3979       15.05590  259.9269       
21.25401  234.7783       21.33072  158.8908 6.577953 150.8993 6.951313 
7.991516       9.570278 
1 1 1 -17 21 7  o 91.86897 6.269474 87.16157       11.64259  92.09565       
16.23437  81.93666       16.70597  93.82069 8.605021 88.18757 9.463593 
5.633118       12.79086 
1 1 1 -17 21 8  o 56.27295 9.542815 33.85684       10.52995  34.83621       
14.25770  32.68163       15.61834  56.23095 12.76108 54.21682 14.05093 
2.014137       18.98088 
1 1 1 -17 21 9  o 150.2697 4.956057 231.1542       15.14464  216.4194       
20.73385  248.0072       22.17414  144.9061 7.036258 155.1231 7.029409 
-10.21698      9.945930 
1 1 1 -17 21 10 o 72.42370 8.600196 55.12706       12.41847  60.38871       
16.63579  48.50472       18.66330  75.03304 11.24958 66.09758 14.30066 
8.935455       18.19510 
1 1 1 -17 21 11 o 163.5055 6.186241 274.6836       20.56887  288.8130       
37.92634  268.7960       24.48207  165.2855 11.35262 161.3622 7.460965 
3.923279       13.58484 
1 1 1 -17 21 12 o 56.32670 11.35455 34.49640       12.55660  44.80022       
17.39792  23.29386       18.14080  63.60668 13.84375 47.23749 15.93018 
16.36919       21.10497 
1 1 1 -17 21 13 f 167.9615 5.095535 288.9118       17.40407  298.8520       
24.02671  277.9383       25.24457  170.3061 6.937655 164.0333 7.568059 
6.272736       10.26677 
1 1 1 -17 21 14 o 31.29286 13.16517 2.359601       14.24057  2.313040       
16.58402  2.490315       27.78691  33.41264 14.13999 41.90970 18.03494 
-8.497059      22.91721 
1 1 1 -17 21 15 o 100.2421 7.336065 104.2896       14.85039  80.63131       
20.28493  131.6141       21.80009  86.61497 11.82575 111.8814 9.677120 
-25.26645      15.28054 
1 1 1 -17 21 16 o 99.49234 7.720253 103.0583       15.49738  91.38943       
21.93378  114.6908       21.89948  92.13741 11.99057 103.9963 10.49907 
-11.85890      15.93751 
1 1 1 -17 21 17 o 85.61247 9.075913 77.33794       15.55983  78.67817       
21.16626  75.76203       22.95189  84.97231 12.63388 82.67454 14.16138 
2.297768       18.97787 
1 1 1 -17 21 18 o 87.91426 9.548518 82.09772       16.79605  63.62245       
23.23205  102.3290       24.31109  74.55614 15.81346 96.80847 12.65187 
-22.25233      20.25180 
1 1 1 -17 21 19 o 62.17541 13.30548 43.63816       16.31465  67.31286       
22.45991  17.19263       23.73789  76.75591 14.92693 44.86914 17.68213 
31.88677       23.14024 
1 1 1 -17 21 20 o 34.22161 14.87733 1.097333       19.29956  -5.165401      
23.05244  15.77375       35.28946  34.65471 15.59334 48.44394 20.57078 
-13.78923      25.81297 
1 1 1 -17 21 21 o 33.15298 14.24477 3.064727       17.28611  -7.765113      
24.36997  14.03123       24.52326  34.23975 15.65216 42.38116 17.50936 
-8.141411      23.48548 
1 1 1 -17 21 22 o 75.11157 16.50657 70.85023       24.52447  62.48456       
34.09876  79.81467       35.29799  65.37601 21.84147 74.08492 21.90226 
-8.708916      30.93152 
1 1 1 -17 22 1  o 58.52469 11.63081 37.71355       13.35435  59.17535       
28.65472  31.75876       15.09372  70.18358 19.42024 53.03188 13.84664 
17.15170       23.85110 
1 1 1 -17 22 2  o 63.88085 11.31089 44.46653       14.15553  55.15778       
27.91622  40.76611       16.42357  68.15156 19.27926 60.28385 13.70725 
7.867706       23.65542 
1 1 1 -17 22 3  o 56.83209 10.42947 34.99104       11.60915  30.88270       
16.41088  39.10634       16.42477  52.41503 14.76583 59.04793 13.90793 
-6.632896      20.28448 
1 1 1 -17 22 4  o 129.4754 5.270220 171.9792       13.87610  167.7015       
19.72684  176.1687       19.52231  127.0060 7.674080 130.2832 7.399227 
-3.277176      10.66021 
1 1 1 -17 22 5  o 103.4901 6.009379 110.4880       12.59232  130.5426       
18.19658  92.05853       17.44373  111.9065 8.049969 93.47021 9.300812 
18.43630       12.30070 
1 1 1 -17 22 6  o 112.9963 5.582834 131.0573       12.82833  156.5141       
18.14713  105.6292       18.13688  122.8697 7.295646 100.3251 8.985166 
22.54453       11.57409 
1 1 1 -17 22 7  o 97.15646 6.069074 97.39690       11.93068  90.17809       
16.62342  105.0652       17.13317  92.68079 8.930754 100.2455 8.484316 
-7.564713      12.31836 
1 1 1 -17 22 8  o 59.34861 9.252366 37.51272       10.80234  31.24399       
14.78075  44.69980       15.82643  53.01899 13.63301 63.83106 12.63985 
-10.81208      18.59098 
1 1 1 -17 22 9  o 201.2570 4.495633 414.2527       18.39896  423.6977       
25.69501  404.3141       26.35778  202.9960 6.224576 198.1837 6.540176 
4.812347       9.028802 
1 1 1 -17 22 10 o 38.96417 12.56465 15.86753       11.32665  5.985358       
14.83504  29.68031       17.53893  33.87753 13.76347 51.75877 15.47078 
-17.88124      20.70696 
1 1 1 -17 22 11 o 140.5821 5.460988 202.6742       15.61179  197.3942       
21.54801  208.5079       22.64999  137.9519 7.712065 141.7283 7.890141 
-3.776474      11.03314 
1 1 1 -17 22 12 o 29.03627 12.80481 -3.092510      14.75697  62.03173       
29.16590  -25.50111      17.10847  72.92635 19.34808 24.00762 11.59557 
48.91873       22.55672 
1 1 1 -17 22 13 o 90.67897 7.501747 85.52306       13.70890  67.47404       
18.07972  109.9363       21.02699  79.20550 11.56596 101.9584 10.28189 
-22.75294      15.47542 
1 1 1 -17 22 14 o 146.7584 5.773240 221.1533       17.22955  219.4994       
22.99342  223.2710       26.01855  145.4246 7.803750 146.2764 8.787724 
-0.8517303     11.75256 
1 1 1 -17 22 15 o 51.12571 13.35143 29.04288       14.03170  33.82775       
19.06600  23.38891       20.72533  54.84246 16.06400 47.96354 16.98581 
6.878922       23.37883 
1 1 1 -17 22 16 o 117.0108 7.007648 141.9241       16.59764  146.0731       
22.91240  137.3431       24.07601  117.7213 9.656173 113.7494 10.52779 
3.971954       14.28552 
1 1 1 -17 22 17 o 107.5659 7.731354 120.7366       16.79867  134.3485       
23.98310  107.6264       23.53698  112.2597 10.63255 99.82777 11.82418 
12.43194       15.90164 
1 1 1 -17 22 18 o 59.96701 13.59796 40.64079       16.20014  42.79615       
22.60366  38.36430       23.23011  60.30420 17.44160 57.30622 17.93770 
2.997978       25.01941 
1 1 1 -17 22 19 o 47.27435 15.03215 25.29038       16.25564  13.55824       
22.47393  38.16312       23.54106  42.19813 17.01167 56.60510 18.09935 
-14.40697      24.83915 
1 1 1 -17 22 20 o 42.72398 16.17679 18.24433       19.29359  30.20870       
22.91894  -10.85783      35.74474  50.81311 17.87634 40.55536 18.69228 
10.25776       25.86436 
1 1 1 -17 22 21 o 49.27116 15.54206 29.40673       17.40399  69.88226       
24.93628  -9.035550      24.30189  74.93218 16.78197 33.56850 15.44998 
41.36368       22.81088 
1 1 1 -17 22 22 o 28.75807 13.74702 -21.14776      22.66144  -1.476801      
31.21366  -43.07245      32.95328  38.93482 17.76562 31.38425 15.36563 
7.550564       23.48872 
1 1 1 -17 23 1  o 36.03723 13.53936 11.40908       13.45527  36.05047       
28.04137  4.038559       15.33613  56.33070 19.77601 32.83483 13.72864 
23.49587       24.07418 
1 1 1 -17 23 2  o 174.8774 5.619699 314.6151       19.98472  282.3059       
37.72909  327.2154       23.56158  162.3184 11.50482 177.9908 6.509616 
-15.67244      13.21878 
1 1 1 -17 23 3  o 120.8274 6.621178 151.1649       16.20672  135.7378       
29.82682  157.6276       19.30523  111.4023 13.43754 122.9826 7.759113 
-11.58028      15.51681 
1 1 1 -17 23 4  o 54.90181 10.26446 32.66274       11.03839  19.65556       
15.93590  44.65967       15.30453  43.55369 14.92953 63.73811 12.25290 
-20.18442      19.31384 
1 1 1 -17 23 5  o 195.6981 4.461117 391.9453       17.75340  399.9538       
25.42680  384.3273       24.79917  197.0332 6.346010 193.1586 6.313521 
3.874588       8.951670 
1 1 1 -17 23 6  o 106.7827 5.793591 117.5176       12.53347  113.9490       
17.70779  121.1001       17.74228  104.3696 8.414823 107.7013 8.161622 
-3.331635      11.72268 
1 1 1 -17 23 7  o 57.48641 9.744796 35.46811       10.98481  29.48539       
15.05272  42.28384       16.06654  51.41392 14.01371 61.77406 13.19091 
-10.36014      19.24537 
1 1 1 -17 23 8  o 97.80666 6.095295 98.74722       12.06284  93.37963       
16.56212  104.8117       17.60442  94.35571 8.730661 100.0023 8.744783 
-5.646599      12.35701 
1 1 1 -17 23 9  o 166.9520 4.754234 285.3572       16.14074  280.6341       
22.28132  290.5726       23.41367  165.0284 6.639430 167.8501 6.859562 
-2.821732      9.546497 
1 1 1 -17 23 10 o 112.4931 5.989539 130.4239       13.65223  118.2626       
18.66516  144.4153       20.02035  106.3010 8.711123 117.6368 8.424843 
-11.33582      12.11865 
1 1 1 -17 23 11 o 192.6414 6.595661 382.2930       25.83803  382.2930       
25.83803  0.000000       0.000000  192.6414 6.595661 ?        ?        
0.000000       6.595661 
1 1 1 -17 23 12 o 98.63103 8.553246 101.8050       16.98536  147.8887       
31.80768  83.42168       20.08952  116.6944 13.66249 88.19131 11.47363 
28.50309       17.84118 
1 1 1 -17 23 13 o 111.4977 6.648886 128.5473       15.00675  138.7622       
20.70577  117.2445       21.78049  115.1104 8.915092 105.2309 10.31071 
9.879486       13.63046 
1 1 1 -17 23 14 o 102.2403 7.140532 108.4831       14.75259  105.0276       
20.06565  112.5483       21.76434  99.61352 10.04269 102.9481 10.54504 
-3.334572      14.56205 
1 1 1 -17 23 15 o 51.28048 14.29373 29.42598       15.46362  13.73814       
17.95499  74.48266       30.42869  40.58575 15.54835 79.58845 19.05394 
-39.00270      24.59275 
1 1 1 -17 23 16 o 124.5132 6.656737 160.5275       16.79393  152.2815       
23.07368  169.8170       24.48995  120.1374 9.522688 126.8834 9.561698 
-6.746025      13.49473 
1 1 1 -17 23 17 o 87.10330 9.292963 80.53401       16.20628  86.95727       
22.67790  73.82999       23.16824  88.89537 12.92354 80.95377 14.61121 
7.941597       19.50655 
1 1 1 -17 23 18 o 34.33134 14.06089 6.517919       15.64117  -7.034951      
20.69698  24.56538       23.88358  32.48152 14.68035 48.73112 18.09137 
-16.24960      23.29829 
1 1 1 -17 23 19 o 67.39333 12.71277 51.28075       16.78357  68.79912       
23.23040  32.15121       24.27517  76.68793 15.43067 52.54229 18.40268 
24.14565       24.01591 
1 1 1 -17 23 20 o 21.98496 10.91467 -40.51409      18.72185  -36.16742      
22.36757  -50.68456      34.21458  25.89731 12.67501 31.79248 15.58474 
-5.895168      20.08830 
1 1 1 -17 23 21 o 25.26096 12.01089 -16.41106      16.82668  -64.70670      
23.84214  31.51671       23.75117  22.58319 11.37022 50.19471 18.13715 
-27.61152      21.40650 
1 1 1 -17 23 22 o 84.01762 15.54054 88.23521       25.57347  98.18665       
34.93307  76.74295       37.54021  82.42323 20.83199 69.26048 22.90790 
13.16276       30.96359 
1 1 1 -17 24 1  o 66.51875 11.30030 48.57209       14.73884  36.38794       
28.61506  52.97178       17.19524  56.25970 19.95498 68.89399 12.74306 
-12.63428      23.67671 
1 1 1 -17 24 2  o 59.56352 12.11070 39.36385       14.16931  69.25620       
29.36792  30.29415       16.17668  75.84641 19.06288 51.60700 14.70287 
24.23941       24.07422 
1 1 1 -17 24 3  o 45.44938 12.87153 22.95553       12.43608  7.288031       
24.67649  28.28949       14.39821  41.20122 17.33179 50.15241 13.72054 
-8.951191      22.10529 
1 1 1 -17 24 4  o 32.51583 12.05994 9.196399       10.60819  13.13063       
15.25397  5.511553       14.76260  38.49889 14.42539 33.32471 13.65579 
5.174175       19.86385 
1 1 1 -17 24 5  o 84.62893 7.210365 74.63422       12.29041  76.25112       
17.40866  73.02746       17.35399  84.49278 10.34829 82.57614 10.57773 
1.916641       14.79782 
1 1 1 -17 24 6  o 165.0446 4.662294 278.9902       15.64777  260.0926       
21.82368  298.9847       22.44811  158.7225 6.761421 170.2805 6.482815 
-11.55792      9.367161 
1 1 1 -17 24 7  o 155.8692 4.865931 248.9544       15.42331  235.1462       
21.43164  263.7879       22.21305  150.8660 6.985743 159.8446 6.833746 
-8.978592      9.772446 
1 1 1 -17 24 8  o 144.9447 6.878604 216.8919       20.27469  216.8919       
20.27469  0.000000       0.000000  144.9447 6.878604 ?        ?        
0.000000       6.878604 
1 1 1 -17 24 9  o 83.05862 7.144777 71.78999       11.95025  83.95039       
16.09031  56.83078       17.84616  89.30338 8.982069 72.03474 12.64414 
17.26864       15.50974 
1 1 1 -17 24 10 o 71.26631 8.587767 53.55336       12.19494  40.44946       
16.39275  69.79235       18.24865  60.21505 13.69642 80.47901 11.47556 
-20.26397      17.86842 
1 1 1 -17 24 11 o 39.40895 12.88229 16.23377       11.88453  -7.156341      
15.89664  45.87344       17.89476  28.40495 12.84929 64.06124 14.11721 
-35.65629      19.08926 
1 1 1 -17 24 12 o 40.28221 13.00289 17.12841       12.12822  8.674289       
16.25185  27.75440       18.22021  36.47482 14.54903 50.21363 15.90907 
-13.73882      21.55859 
1 1 1 -17 24 13 o 66.66642 12.38508 48.73787       16.17218  48.41774       
30.92179  48.85840       18.97406  64.35218 20.76113 65.96103 14.53737 
-1.608849      25.34482 
1 1 1 -17 24 14 o 208.2753 4.952421 444.6861       20.97523  441.2797       
29.02352  448.4105       30.34769  206.6817 6.905521 208.2184 7.167290 
-1.536713      9.952702 
1 1 1 -17 24 15 o 155.2549 6.555433 248.8053       20.69656  247.3999       
24.63724  252.1751       38.14994  154.1130 7.887861 152.9846 12.36876 
1.128372       14.66985 
1 1 1 -17 24 16 o 31.63619 13.21835 3.541660       14.20337  15.87194       
19.76331  -9.629766      20.42629  42.54719 16.30951 31.57505 14.39349 
10.97214       21.75253 
1 1 1 -17 24 17 o 103.4655 7.858117 112.2917       16.40999  89.58318       
22.71788  137.0680       23.72964  90.09882 12.75571 113.1037 10.43489 
-23.00493      16.48014 
1 1 1 -17 24 18 o 27.36695 12.48979 -7.611995      15.43717  -7.252932      
21.39191  -8.002164      22.29925  32.80403 14.86643 33.26976 15.11677 
-0.4657249     21.20207 
1 1 1 -17 24 19 o 98.26521 10.72213 105.5778       21.07783  130.1484       
25.63642  54.31681       37.02914  108.4167 11.81964 63.69295 22.68839 
44.72372       25.58255 
1 1 1 -17 24 20 o 86.02139 10.64020 81.99620       18.21568  89.75219       
25.26478  73.59966       26.28738  86.91055 14.82726 76.51976 17.29973 
10.39079       22.78439 
1 1 1 -17 24 21 o 48.26291 16.81802 29.26795       20.26219  6.714025       
39.82245  37.14670       23.53669  44.37549 20.17767 52.98045 18.14397 
-8.604961      27.13562 
1 1 1 -17 25 1  o 95.23831 8.148050 95.74377       15.62844  108.8679       
28.17639  89.91190       18.78251  97.91397 14.59717 91.28444 10.29824 
6.629532       17.86425 
1 1 1 -17 25 2  o 124.4660 6.379349 160.6740       16.09225  142.0483       
32.93867  166.5134       18.44310  112.3452 14.77629 126.3732 7.206606 
-14.02793      16.44001 
1 1 1 -17 25 3  o 116.9562 6.428288 141.7909       15.23000  189.6418       
33.70417  129.5134       17.07242  131.8598 12.72772 111.3430 7.585356 
20.51678       14.81663 
1 1 1 -17 25 4  o 39.91250 12.20144 17.29793       10.82052  14.42124       
15.32503  20.15780       15.28013  39.33368 14.51374 43.53275 14.62059 
-4.199066      20.60122 
1 1 1 -17 25 5  o 115.3157 5.632733 136.7753       13.20867  134.4971       
19.08112  138.8714       18.30294  113.2973 8.340603 115.3264 7.851147 
-2.029068      11.45453 
1 1 1 -17 25 6  o 64.24223 8.682937 43.79447       11.05264  58.72650       
15.58171  28.67281       15.68034  73.84990 10.68628 50.52493 14.50204 
23.32497       18.01404 
1 1 1 -17 25 7  o 100.9710 8.876307 107.2407       18.04043  107.2407       
18.04043  0.000000       0.000000  100.9710 8.876307 ?        ?        
0.000000       8.876307 
1 1 1 -17 25 8  o 73.68505 7.603897 56.85325       11.22998  40.41253       
15.05671  77.46501       16.85882  60.41058 12.66144 85.35770 9.896142 
-24.94712      16.07003 
1 1 1 -17 25 9  o 133.7353 5.361747 183.6149       14.58156  182.7393       
19.80706  184.6509       21.54529  132.6568 7.371485 133.1078 7.996807 
-0.4509888     10.87602 
1 1 1 -17 25 10 o 31.13911 12.27718 6.465817       11.44886  4.471321       
15.26206  9.032539       17.31355  33.22498 13.77676 37.38012 14.97989 
-4.155136      20.35181 
1 1 1 -17 25 11 o 178.8627 4.809087 327.8083       17.49177  309.1073       
24.12628  348.5309       25.39680  172.9984 6.857992 183.7245 6.797678 
-10.72615      9.656111 
1 1 1 -17 25 12 o 115.1451 6.230455 136.9645       14.53443  154.5379       
19.91854  116.9516       21.25617  121.6872 8.095549 105.0230 10.07659 
16.66425       12.92577 
1 1 1 -17 25 13 o 27.33928 12.52757 -9.325968      15.73879  3.217487       
30.06902  -14.05930      18.47116  43.10842 18.65509 28.44846 13.22458 
14.65996       22.86705 
1 1 1 -17 25 14 o 121.1278 6.338953 151.7376       15.55967  157.0979       
21.64827  146.0093       22.37932  122.3303 8.760366 117.6165 9.436242 
4.713753       12.87582 
1 1 1 -17 25 15 o 179.9419 6.240090 334.1384       22.83362  349.9574       
27.83656  301.6033       39.92099  183.5749 7.456772 167.4664 11.79797 
16.10849       13.95692 
1 1 1 -17 25 16 o 169.2102 5.726029 295.1168       19.70296  327.2897       
28.32137  264.9405       27.42846  177.1367 7.862386 158.8172 8.523979 
18.31944       11.59635 
1 1 1 -17 25 17 o 80.78927 9.899475 70.27552       15.92333  52.31414       
21.90056  90.41933       23.19296  66.52558 16.31355 90.08615 13.03965 
-23.56057      20.88455 
1 1 1 -17 25 18 f 59.29039 13.61511 40.58535       16.06929  46.28979       
22.23896  34.35299       23.24525  61.65643 17.12567 53.62553 18.03290 
8.030891       24.86914 
1 1 1 -17 25 19 o 48.90762 16.30476 28.51241       19.00381  46.35031       
23.09231  -8.917611      33.45073  60.61341 17.65748 39.33348 18.11186 
21.27992       25.29478 
1 1 1 -17 25 20 o 81.72392 11.25023 75.37473       18.20094  113.2528       
26.70221  42.50359       24.87487  98.18653 13.75064 56.57314 18.64428 
41.61340       23.16655 
1 1 1 -17 25 21 o 67.34111 17.61189 60.86789       24.39220  0.000000       
0.000000  60.86789       24.39220  ?        ?        67.34111 17.61189 
0.000000       17.61189 
1 1 1 -17 26 1  o 91.66012 8.533480 89.32410       15.72313  121.3484       
31.85175  79.00642       18.07944  102.0397 15.86556 85.12052 10.67990 
16.91917       19.12528 
1 1 1 -17 26 2  o 50.52937 12.66038 28.92533       12.98223  10.78027       
25.85163  35.04443       15.01249  42.71407 17.83880 55.38591 13.46088 
-12.67184      22.34767 
1 1 1 -17 26 3  o 85.36802 8.136951 76.84961       13.95466  74.48019       
30.60938  77.47128       15.67880  78.10649 19.36708 85.30630 9.182840 
-7.199814      21.43381 
1 1 1 -17 26 4  o 91.35226 6.650986 86.81409       12.27056  78.36532       
17.44077  95.09528       17.26692  85.45171 10.24076 94.74075 9.073423 
-9.289040      13.68211 
1 1 1 -17 26 5  o 22.63669 10.31493 -5.849370      10.47748  4.843717       
14.99952  -16.03842      14.64173  33.03675 13.67486 23.78852 11.27962 
9.248238       17.72658 
1 1 1 -17 26 6  o 90.34890 6.521712 84.74519       11.90165  87.93166       
17.01394  81.69186       16.65475  91.08800 9.316393 87.69817 9.490289 
3.389832       13.29890 
1 1 1 -17 26 7  o 264.3685 4.346022 715.5700       23.36431  694.3207       
32.59715  738.0205       33.50584  259.5006 6.177174 267.5537 6.158262 
-8.053101      8.722481 
1 1 1 -17 26 8  o 54.60438 10.35148 32.41773       11.07361  40.12564       
15.63752  24.66444       15.68348  59.92297 13.19024 47.24514 14.73071 
12.67784       19.77312 
1 1 1 -17 26 9  o 53.27499 10.99875 31.09855       11.52082  32.89727       
15.78633  29.04887       16.85158  53.98290 14.19264 50.83557 15.15774 
3.147327       20.76507 
1 1 1 -17 26 10 o 93.37995 6.791174 90.56820       12.80753  93.68467       
17.49754  86.97149       18.79742  94.15026 9.258851 90.22142 10.43836 
3.928841       13.95298 
1 1 1 -17 26 11 o 76.16073 8.609926 61.24421       13.10049  69.38884       
17.83312  51.69617       19.30851  80.14186 11.25257 67.71292 14.46198 
12.42894       18.32401 
1 1 1 -17 26 12 o 30.73462 12.49936 4.914476       12.25095  3.421831       
16.30298  6.850709       18.56810  33.45734 14.08159 36.98149 15.25326 
-3.524151      20.75941 
1 1 1 -17 26 13 o 122.0787 7.790228 155.5537       19.23847  195.3244       
36.78597  140.5806       22.57128  133.4019 13.75775 115.1972 9.726182 
18.20468       16.84857 
1 1 1 -17 26 14 o 204.1710 4.976988 427.9638       20.66389  442.3649       
28.82895  412.7471       29.63398  206.6858 6.859095 199.4027 7.308151 
7.283035       10.02279 
1 1 1 -17 26 15 o 125.7069 6.639737 164.0755       16.91290  183.6443       
23.39884  142.6664       24.47431  132.0172 8.765735 115.3754 10.54819 
16.64186       13.71504 
1 1 1 -17 26 16 o 38.88802 14.19106 14.75236       14.59232  6.364023       
20.08196  24.13603       21.24000  37.36569 15.67241 47.55552 17.15648 
-10.18982      23.23724 
1 1 1 -17 26 17 o 47.66182 14.23911 26.12865       14.86020  18.44415       
20.10078  35.39059       22.06765  43.42941 16.49545 54.42494 17.53661 
-10.99553      24.07556 
1 1 1 -17 26 18 o 121.1784 7.505816 154.8482       18.40483  173.3468       
25.45883  134.5965       26.63790  126.5458 9.974112 109.8470 12.12726 
16.69876       15.70201 
1 1 1 -17 26 19 o 72.82613 13.48903 62.11108       19.24083  84.84132       
23.21730  12.26932       34.38003  85.03632 13.90714 45.08316 19.72227 
39.95316       24.13247 
1 1 1 -17 26 20 o 68.52908 12.65579 55.22692       16.98693  61.61475       
24.79445  49.57641       23.31963  68.12532 17.72728 60.88682 17.74620 
7.238499       25.08354 
1 1 1 -17 26 21 o 51.98457 18.36023 37.79853       24.19935  0.000000       
0.000000  37.79853       24.19935  ?        ?        51.98457 18.36023 
0.000000       18.36023 
1 1 1 -17 27 1  o 34.44347 13.09960 10.58797       12.68700  5.650401       
28.54810  11.80313       14.16238  41.44514 18.05543 36.17648 13.82083 
5.268658       22.73794 
1 1 1 -17 27 2  o 95.63972 7.350168 96.10117       14.18571  136.2736       
32.09155  86.34528       15.81468  109.0862 14.85283 90.02197 8.749478 
19.06425       17.23833 
1 1 1 -17 27 3  o 109.8456 6.512258 125.5519       14.48184  162.2185       
32.83261  116.6952       16.13635  120.5667 13.63082 105.4612 7.574668 
15.10546       15.59407 
1 1 1 -17 27 4  o 124.7599 6.494347 161.6221       16.41945  134.1069       
31.06532  172.2885       19.34192  109.3271 14.31730 128.4103 7.438969 
-19.08325      16.13454 
1 1 1 -17 27 5  o 83.58531 7.061138 73.00663       11.88975  67.84601       
17.07395  77.86523       16.56681  79.10600 10.90363 85.34806 9.718708 
-6.242065      14.60625 
1 1 1 -17 27 6  o 40.77339 12.38520 18.19990       11.17418  17.49322       
16.01116  18.87093       15.60213  41.71389 14.91273 42.55544 14.76189 
-0.8415413     20.98340 
1 1 1 -17 27 7  o 171.7507 4.656072 302.4943       16.26184  297.4629       
22.53494  307.9614       23.49022  169.6210 6.533192 172.5163 6.695848 
-2.895309      9.355051 
1 1 1 -17 27 8  o 41.56232 12.12338 18.99953       10.87942  20.99796       
14.79004  16.64320       16.05993  44.03053 14.36992 41.21644 14.91090 
2.814091       20.70819 
1 1 1 -17 27 9  o 121.7683 5.598302 152.5723       13.86251  160.6386       
18.92454  143.2327       20.36356  124.1379 7.532308 116.7385 8.639395 
7.399452       11.46189 
1 1 1 -17 27 10 o 177.8471 4.804760 324.4395       17.37680  347.4713       
24.47633  301.0345       24.67386  183.3572 6.564429 170.4223 7.119658 
12.93484       9.684072 
1 1 1 -17 27 11 o 60.92587 10.36377 40.25218       12.38038  59.66228       
17.16814  19.22272       17.86995  73.86388 11.82902 43.74797 15.74242 
30.11591       19.69136 
1 1 1 -17 27 12 o 48.74281 12.61513 26.59845       12.60071  20.80086       
16.94388  33.77231       18.84802  44.46552 15.38587 54.23898 15.99608 
-9.773468      22.19458 
1 1 1 -17 27 13 o 107.7021 6.924873 120.7094       15.08617  132.6833       
20.69072  107.1184       22.04362  111.9998 9.164892 99.66984 11.06258 
12.32999       14.36579 
1 1 1 -17 27 14 o 108.0279 8.886579 123.4157       19.34876  165.2544       
36.49233  107.0540       22.82061  120.9932 15.16477 99.27197 11.51851 
21.72126       19.04327 
1 1 1 -17 27 15 o 154.5697 5.769534 246.6709       18.13496  247.2929       
25.20858  246.0036       26.10849  153.4390 8.107847 152.8384 8.432992 
0.6006317      11.69840 
1 1 1 -17 27 16 o 118.5205 7.916144 147.9840       18.96938  161.1968       
22.68797  117.2915       34.57912  123.0224 9.134208 98.77219 17.87383 
24.25023       20.07255 
1 1 1 -17 27 17 o 86.21861 9.270830 80.08305       15.99901  74.73625       
22.11750  85.95148       23.17132  80.49880 14.02074 86.74054 13.58215 
-6.241737      19.52065 
1 1 1 -17 27 18 o 88.29153 10.84596 86.43653       19.06375  84.19672       
22.80244  91.63705       34.74549  85.19055 13.62140 82.42149 20.74556 
2.769058       24.81775 
1 1 1 -17 27 19 o 62.23443 12.84610 45.64557       15.71855  41.99142       
22.59443  49.07275       21.88150  56.49994 17.69143 61.60070 16.93996 
-5.100765      24.49385 
1 1 1 -17 27 20 o 59.56337 13.95927 43.81348       16.61307  47.96873       
23.92603  39.94510       23.08538  58.77744 18.17279 53.92338 17.97030 
4.854057       25.55743 
1 1 1 -17 28 1  f 64.51888 10.29477 46.05664       13.05288  29.42818       
26.15190  51.57344       15.06331  50.24706 18.87617 67.80459 11.32410 
-17.55753      22.01239 
1 1 1 -17 28 2  o 84.14055 8.370739 75.49739       14.13243  138.2259       
32.11311  60.43052       15.73843  109.3305 14.82654 74.07241 10.76349 
35.25806       18.32155 
1 1 1 -17 28 3  o 71.50681 9.230041 55.05277       13.10824  61.98499       
30.17561  53.44039       14.55305  69.67419 20.15251 69.84951 10.57663 
-0.1753159     22.75937 
1 1 1 -17 28 4  o 106.7030 6.542799 118.5741       14.12830  119.0099       
29.73452  118.4470       16.05660  102.2491 14.72512 106.2633 7.478189 
-4.014221      16.51522 
1 1 1 -17 28 5  o 92.89288 6.635181 89.93013       12.45143  100.9421       
17.44260  78.48778       17.78023  97.52916 8.892543 85.20332 10.48306 
12.32584       13.74670 
1 1 1 -17 28 6  o 48.78470 11.70162 26.59379       11.45937  25.39211       
16.11026  27.82446       16.30347  47.49129 14.94983 49.42165 14.94852 
-1.930359      21.14133 
1 1 1 -17 28 7  o 194.1938 4.562526 386.8383       18.01740  392.2636       
25.12552  381.0953       25.85087  194.7528 6.344245 191.8127 6.627447 
2.940063       9.174558 
1 1 1 -17 28 8  o 89.47295 6.977538 83.52235       12.59501  70.58025       
16.82177  100.0343       19.00068  80.90659 10.46994 96.83756 9.782959 
-15.93097      14.32920 
1 1 1 -17 28 9  o 158.0675 4.974087 256.6454       15.98849  255.5699       
21.96997  257.8563       23.31194  157.0102 6.880977 157.5317 7.277111 
-0.5214691     10.01520 
1 1 1 -17 28 10 o 76.65347 8.302304 62.09656       12.73459  84.54588       
17.56254  37.20745       18.49228  88.92963 9.878499 56.71971 15.56266 
32.20992       18.43315 
1 1 1 -17 28 11 o 142.3642 5.393912 208.5849       15.61550  202.2903       
21.25097  215.9729       23.02258  139.2165 7.534527 143.6716 7.910576 
-4.455124      10.92457 
1 1 1 -17 28 12 o 98.44855 7.056283 101.1319       14.03287  88.73618       
18.80621  116.7042       21.07858  90.84347 10.36581 104.4783 10.04500 
-13.63485      14.43440 
1 1 1 -17 28 13 o 65.70634 10.72200 47.14454       13.83215  83.71815       
19.46183  9.811167       19.66294  87.74823 11.15915 38.84952 15.82148 
48.89871       19.36094 
1 1 1 -17 28 14 o 123.4857 8.106342 160.5017       20.24299  181.3531       
39.04546  152.8369       23.67297  125.8606 15.58915 119.5441 9.825016 
6.316551       18.42695 
1 1 1 -17 28 15 o 95.89818 7.894083 97.08896       15.25769  116.1863       
21.28104  76.88865       21.88698  103.7233 10.22228 82.38076 13.53519 
21.34255       16.96161 
1 1 1 -17 28 16 f 53.33479 14.97678 33.70678       16.91135  59.00607       
20.71054  -16.91453      29.29571  70.87035 14.84607 35.32711 16.49957 
35.54324       22.19553 
1 1 1 -17 28 17 o 106.6383 8.035206 121.0366       17.29652  107.8131       
23.95650  135.4356       24.99871  97.74670 12.32638 110.5251 11.28070 
-12.77842      16.70910 
1 1 1 -17 28 18 o 40.05793 15.38389 16.45805       17.60399  1.464877       
20.65301  56.29113       33.66345  34.36845 15.15272 62.40179 21.68139 
-28.03335      26.45161 
1 1 1 -17 28 19 o 50.41891 14.84113 31.95306       16.23824  36.38625       
24.08756  28.26007       21.98488  51.93010 18.32027 47.24858 17.39179 
4.681519       25.26077 
1 1 1 -17 28 20 o 27.96120 13.00572 -8.576463      17.90703  7.871513       
29.51980  -18.15281      22.52460  39.59867 17.74511 28.77139 13.74005 
10.82728       22.44277 
1 1 1 -17 29 1  o 42.58707 13.10295 21.11233       12.45568  34.04097       
29.15966  18.22688       13.77569  52.21729 19.85952 40.28317 13.87679 
11.93412       24.22738 
1 1 1 -17 29 2  o 77.60823 8.801518 64.94098       13.64483  74.32516       
30.72759  62.63603       15.22864  75.19520 19.81610 75.49960 10.17833 
-0.3044052     22.27726 
1 1 1 -17 29 3  o 74.88731 9.081380 60.46725       13.54680  38.20935       
30.57036  65.90601       15.11153  55.82954 20.51476 77.89557 9.753747 
-22.06603      22.71543 
1 1 1 -17 29 4  o 81.08535 8.709993 70.24740       14.13681  53.23312       
29.24537  75.43518       16.14884  64.56928 20.11277 83.59712 9.678455 
-19.02784      22.32031 
1 1 1 -17 29 5  o 101.0550 6.347270 106.3257       12.97731  93.50535       
17.41456  122.3360       19.46085  93.49469 9.282245 107.1911 9.011562 
-13.69645      12.93709 
1 1 1 -17 29 6  o 66.66391 8.773226 47.56009       11.60439  45.42853       
15.71803  50.11394       17.20474  63.54314 12.60908 66.54427 13.18027 
-3.001137      18.24030 
1 1 1 -17 29 7  o 203.8521 4.502676 426.5118       18.66540  423.1695       
25.90354  430.1213       26.91948  202.1480 6.301418 203.6839 6.499180 
-1.535873      9.052470 
1 1 1 -17 29 8  o 44.74272 12.17616 22.46185       11.37448  18.68824       
15.43940  26.94114       16.82117  42.14037 14.68092 48.66760 15.26899 
-6.527233      21.18187 
1 1 1 -17 29 9  o 153.5081 4.953652 242.2556       15.46351  232.9851       
20.74564  253.8457       23.19645  149.8131 6.809664 156.1343 7.305867 
-6.321243      9.987353 
1 1 1 -17 29 10 o 119.9447 5.804317 148.5117       14.15741  164.7923       
19.26803  129.4094       20.87112  125.4717 7.587302 110.2811 9.396256 
15.19063       12.07712 
1 1 1 -17 29 11 o 62.95744 9.910625 42.98573       12.26873  50.52085       
16.52422  33.72907       18.31483  67.21646 12.55067 53.81332 15.73919 
13.40314       20.13061 
1 1 1 -17 29 12 o 175.2278 5.069845 315.9938       18.06546  349.5620       
25.70409  283.2267       25.39555  183.3674 6.893325 164.6739 7.583704 
18.69344       10.24844 
1 1 1 -17 29 13 o 102.6679 7.200552 110.4249       14.93809  101.2124       
20.41963  121.0316       21.91037  96.65561 10.56075 105.9294 10.30175 
-9.273773      14.75315 
1 1 1 -17 29 14 o 79.42427 11.59106 69.79282       18.16948  111.8302       
37.13533  56.56205       20.83349  94.30446 19.98528 69.41245 15.18215 
24.89201       25.09799 
1 1 1 -17 29 15 o 42.62374 14.03625 20.39538       14.09946  37.35883       
19.49927  1.808023       20.41128  55.60172 16.23383 35.08183 15.27560 
20.51990       22.29083 
1 1 1 -17 29 16 o 75.61388 12.17156 64.75051       18.08029  76.03178       
22.10550  41.95194       31.42499  80.83538 13.95190 56.99179 20.82103 
23.84359       25.06334 
1 1 1 -17 29 17 o 40.36603 15.35953 16.86869       17.44743  0.4370413      
20.66689  57.63232       32.55150  34.07770 15.08431 63.69370 21.33988 
-29.61600      26.13287 
1 1 1 -17 29 18 o 37.51954 14.39905 14.39251       15.41559  18.46274       
21.51706  10.10016       22.09636  41.99728 16.74421 38.28722 16.26825 
3.710060       23.34576 
1 1 1 -17 29 19 o 84.12283 10.20566 80.08263       17.10106  105.4656       
24.84578  57.23274       23.57345  93.40462 13.47015 64.58434 17.50946 
28.82027       22.09131 
1 1 1 -17 29 20 o 20.81197 10.33970 -34.08289      16.91842  -42.32090      
28.14304  -29.42097      21.17105  27.64811 13.66454 25.14511 12.31205 
2.503004       18.39310 
1 1 1 -17 30 1  o 93.87840 11.61469 100.2993       21.69988  115.6742       
32.52597  87.96693       29.13054  95.02711 17.47580 82.06925 17.95420 
12.95786       25.05508 
1 1 1 -17 30 2  o 43.59812 15.11700 21.97012       16.36095  68.03291       
27.90678  -2.154195      20.19585  71.82957 18.86328 32.84084 14.69991 
38.98874       23.91466 
1 1 1 -17 30 3  o 130.8011 5.824417 177.7711       15.49228  180.2477       
33.38372  177.0913       17.48959  125.7381 13.25595 129.9806 6.638972 
-4.242470      14.82552 
1 1 1 -17 30 4  o 132.2899 5.911768 181.6439       15.90360  215.4612       
36.99478  173.9776       17.61425  137.9905 13.35065 128.9128 6.742618 
9.077698       14.95670 
1 1 1 -17 30 5  o 45.65571 12.09069 23.73143       11.40294  25.59094       
15.95088  21.78787       16.30740  47.04700 14.88322 44.19818 15.10278 
2.848824       21.20387 
1 1 1 -17 30 6  o 50.11151 11.28195 28.19824       11.21969  41.66140       
14.83091  10.18314       17.15587  60.65479 12.44146 37.11822 14.89858 
23.53657       19.41024 
1 1 1 -17 30 7  f 95.41463 6.642760 95.08718       12.80848  111.7720       
17.55543  76.09626       18.72936  102.6544 8.485824 83.18323 11.36997 
19.47114       14.18751 
1 1 1 -17 30 8  o 121.7608 5.687139 153.1942       14.08162  151.4217       
18.98201  155.3635       20.99928  119.9708 7.823452 121.1205 8.581354 
-1.149704      11.61232 
1 1 1 -17 30 9  o 199.5189 4.590343 409.0032       18.62433  438.3278       
26.24539  379.2575       26.43317  205.6203 6.276760 190.9403 6.807698 
14.68007       9.259723 
1 1 1 -17 30 10 f 19.41126 9.380518 -16.70157      11.23390  -11.24051      
14.84869  -24.01134      17.17913  25.39869 11.82358 24.06989 11.62417 
1.328802       16.58066 
1 1 1 -17 30 11 o 39.50097 13.04636 16.91644       12.17760  7.993118       
15.96122  29.34545       18.83740  35.16339 14.27992 50.26575 16.20297 
-15.10236      21.59751 
1 1 1 -17 30 12 o 43.50243 13.34183 21.38488       12.92577  8.572876       
17.26098  37.74185       19.50331  36.30662 14.80906 56.21246 16.18493 
-19.90583      21.93764 
1 1 1 -17 30 13 o 95.36018 7.626302 95.98584       14.66505  95.09626       
20.00347  97.01956       21.56329  93.27742 10.74198 93.72785 11.55831 
-0.4504318     15.77925 
1 1 1 -17 30 14 o 100.9349 7.666431 107.7453       15.61812  126.4567       
22.02679  88.82674       22.14842  107.8766 10.16061 88.73197 12.63128 
19.14463       16.21071 
1 1 1 -17 30 15 o 32.01364 13.26637 5.606804       14.13975  7.700037       
19.24776  3.152859       20.84030  36.61817 15.35037 35.61763 15.47197 
1.000538       21.79486 
1 1 1 -17 30 16 o 43.79746 15.26613 22.25157       16.69586  27.53091       
20.21932  10.93739       29.59977  47.75162 16.79117 42.68417 18.49020 
5.067448       24.97660 
1 1 1 -17 30 17 o 59.27250 14.53484 43.33267       17.38524  30.22891       
20.87501  72.99551       31.40763  48.78555 17.06648 71.32725 20.53931 
-22.54170      26.70446 
1 1 1 -17 30 18 o 61.24056 13.18051 45.57957       15.92812  42.73667       
22.89993  48.24398       22.16936  55.50574 17.86209 59.50902 17.29105 
-4.003273      24.86030 
1 1 1 -17 30 19 o 94.48908 13.31952 109.2122       24.88297  0.000000       
0.000000  109.2122       24.88297  ?        ?        94.48908 13.31952 
0.000000       13.31952 
1 1 1 -17 31 1  o 108.8939 7.354735 127.0175       16.19082  111.3441       
30.61867  133.1012       19.07600  92.77325 16.85041 110.5070 8.555470 
-17.73375      18.89795 
1 1 1 -17 31 2  o 100.6347 7.018568 107.5164       14.27315  122.2802       
33.98408  104.3543       15.72754  97.32681 17.82783 98.57903 7.912245 
-1.252213      19.50475 
1 1 1 -17 31 3  o 62.19115 12.40142 44.82551       15.13367  21.83405       
31.61521  51.65969       17.23676  47.31101 19.74035 66.33923 13.24101 
-19.02821      23.76985 
1 1 1 -17 31 4  o 84.58932 13.09576 82.28712       21.79875  67.72832       
32.28836  94.48083       29.54957  70.20736 20.99236 87.24274 17.26720 
-17.03538      27.18153 
1 1 1 -17 31 5  o 62.44317 15.94562 47.51354       20.31899  47.23846       
29.04341  47.77726       28.43697  60.07903 20.15706 60.46861 19.93488 
-0.3895836     28.34972 
1 1 1 -17 31 6  o 90.23473 6.902731 85.58269       12.57012  104.5106       
17.11929  63.43911       18.51647  98.91134 8.596644 74.77849 12.62635 
24.13285       15.27505 
1 1 1 -17 31 7  f 84.42158 7.182662 75.09192       12.21359  104.0768       
16.62897  41.14061       17.99732  98.90989 8.345438 58.85583 14.99480 
40.05406       17.16072 
1 1 1 -17 31 8  o 51.77740 10.98724 30.03279       11.21047  24.93553       
15.25543  36.01670       16.52907  46.48837 14.53379 55.32273 14.51200 
-8.834358      20.53848 
1 1 1 -17 31 9  o 72.46960 8.448708 56.16514       12.21709  47.82095       
16.10953  67.46058       18.74314  64.87158 12.66619 77.54999 12.29549 
-12.67841      17.65252 
1 1 1 -17 31 10 f 67.74826 9.233617 49.64453       12.38967  60.91590       
16.42107  34.74799       18.87799  74.17175 11.23922 53.88314 16.03797 
20.28860       19.58409 
1 1 1 -17 31 11 o 37.59367 12.94312 14.99835       11.98352  3.908169       
15.81907  29.93298       18.35729  32.63661 13.81072 50.30593 15.97205 
-17.66933      21.11498 
1 1 1 -17 31 12 o 100.2145 7.111392 105.6453       14.39817  121.6155       
20.04793  88.63331       20.69150  106.2909 9.371075 89.26378 11.67905 
17.02708       14.97389 
1 1 1 -17 31 13 o 88.23527 8.169926 83.06244       14.49289  89.90485       
20.01015  75.51260       21.01912  90.07359 11.16372 81.17669 13.18550 
8.896904       17.27675 
1 1 1 -17 31 14 o 24.38741 11.29144 -8.547966      13.26383  -21.76107      
17.52164  9.186214       20.29914  24.64814 11.86197 37.84289 15.80618 
-13.19475      19.76212 
1 1 1 -17 31 15 o 105.1195 9.493588 120.5657       20.07488  123.4794       
38.66844  119.4907       23.48816  95.55180 20.51368 103.1508 11.38745 
-7.599045      23.46242 
1 1 1 -17 31 16 o 62.88453 13.95670 47.95360       17.38156  63.18466       
21.08294  15.63263       30.71201  71.62936 14.95681 43.91532 18.92900 
27.71404       24.12495 
1 1 1 -17 31 17 o 83.83708 11.21263 80.79958       18.63703  86.46632       
22.96165  69.85851       31.90555  84.33840 13.87066 67.67511 20.99570 
16.66329       25.16376 
1 1 1 -17 31 18 o 53.89094 14.33965 37.32146       15.99035  30.29017       
22.39480  44.63463       22.83929  47.07931 17.51046 55.77886 17.82673 
-8.699547      24.98816 
1 1 1 -17 31 19 o 33.08005 14.28781 6.843600       17.57014  -25.07871      
28.36041  26.72791       22.38312  30.29755 14.70375 44.20929 17.24468 
-13.91174      22.66229 
1 1 1 -17 32 1  o 83.52764 9.443286 78.25931       15.75831  80.30019       
32.74697  77.64429       17.97656  71.43697 21.08934 81.80956 11.09164 
-10.37258      23.82823 
1 1 1 -17 32 2  o 122.4748 5.921562 157.4382       14.74804  162.0322       
36.88206  156.5638       16.09044  112.3981 16.63906 121.5696 6.532608 
-9.171455      17.87550 
1 1 1 -17 32 3  o 111.8920 7.939785 134.4806       17.94858  193.5579       
37.34845  116.7395       20.46691  126.6180 14.78360 102.6953 9.924236 
23.92271       17.80577 
1 1 1 -17 32 4  o 114.4450 6.453574 137.7595       14.95798  143.9072       
36.79895  136.5427       16.37149  106.6499 17.58041 113.5246 7.127815 
-6.874695      18.97041 
1 1 1 -17 32 5  o 99.98562 7.050727 105.6759       14.24398  122.2791       
32.76895  101.8079       15.81635  99.59705 16.77568 97.57534 8.042692 
2.021706       18.60398 
1 1 1 -17 32 6  o 98.99924 6.562437 102.9309       13.13648  108.8626       
18.50005  96.89832       18.65652  100.3420 9.167754 94.17364 9.889730 
6.168373       13.48534 
1 1 1 -17 32 7  o 42.44686 12.60867 20.69644       11.67668  11.04401       
15.63390  32.87381       17.56006  36.27631 14.33266 52.13897 15.45644 
-15.86266      21.07906 
1 1 1 -17 32 8  o 22.14543 10.58817 -15.93678      13.45764  -20.30988      
15.74002  -4.052033      25.94813  23.34669 11.23743 36.42171 16.45149 
-13.07502      19.92314 
1 1 1 -17 32 9  o 90.44065 8.302613 87.37337       15.09920  93.73533       
17.31738  67.20211       30.83566  93.16434 9.263574 71.09850 20.31451 
22.06584       22.32696 
1 1 1 -17 32 10 o 62.57866 11.59638 44.22720       14.21364  38.18557       
16.36723  62.76047       28.66647  56.75241 14.21311 69.25111 19.51784 
-12.49869      24.14454 
1 1 1 -17 32 11 o 50.67216 13.36284 30.13494       13.96672  30.97931       
16.12184  27.59485       27.96232  50.89972 14.73250 49.62825 19.29775 
1.271469       24.27859 
1 1 1 -17 32 12 o 60.94059 11.23401 41.92155       13.40879  53.43873       
18.13703  28.03853       19.91294  67.51189 13.67960 48.42400 16.68383 
19.08788       21.57503 
1 1 1 -17 32 13 o 42.66075 13.51755 21.15966       13.15378  26.03959       
18.09970  15.69743       19.14915  46.71262 15.91134 40.44609 15.89975 
6.266521       22.49384 
1 1 1 -17 32 14 o 93.11652 8.281794 93.37862       15.51834  111.8928       
21.15707  71.81913       22.83088  100.3382 10.52581 76.77062 15.16227 
23.56756       18.45771 
1 1 1 -17 32 15 o 83.97780 11.45598 80.55515       19.05315  82.47512       
37.41623  79.88299       22.13847  72.90302 22.75629 81.68874 13.81994 
-8.785728      26.62404 
1 1 1 -17 32 16 o 29.47394 13.24254 -1.874562      16.55406  4.273649       
19.80712  -16.11840      30.14814  34.18834 14.96261 34.12463 16.18205 
0.6370163E-01  22.03947 
1 1 1 -17 32 17 o 43.61747 15.77662 24.40187       17.97775  12.38341       
21.74797  50.33653       31.94733  37.99733 16.14215 55.83787 20.88532 
-17.84055      26.39632 
1 1 1 -17 32 18 o 31.40834 13.45681 5.912233       15.34820  4.126054       
20.85916  8.020940       22.66431  33.69310 15.02048 35.96524 15.86421 
-2.272137      21.84693 
1 1 1 -17 33 1  o 51.68651 13.25215 34.01606       13.99464  66.21175       
28.63235  23.91043       16.04132  64.32768 19.87846 42.68303 14.95903 
21.64466       24.87822 
1 1 1 -17 33 2  o 27.44383 12.17930 -0.2957979     13.55808  -1.262189      
32.07682  -0.8559418E-01 14.96012  37.83102 17.53123 28.69034 12.76009 
9.140678       21.68326 
1 1 1 -17 33 3  o 91.29940 7.380549 89.60003       13.58557  87.79165       
34.35342  89.93527       14.79134  76.02558 21.34497 90.99165 8.077822 
-14.96607      22.82234 
1 1 1 -17 33 4  o 32.95609 12.70506 10.16591       12.03956  47.44604       
33.97832  4.813371       12.87487  56.66969 21.46522 30.00360 12.56477 
26.66609       24.87225 
1 1 1 -17 33 5  o 64.27187 9.848319 46.04040       12.46143  50.37529       
30.26483  45.15545       13.67437  59.48465 20.56404 62.93221 11.09042 
-3.447559      23.36402 
1 1 1 -17 33 6  o 76.52348 7.890705 62.90991       12.10280  70.39889       
16.74258  54.71355       17.51546  79.34689 10.64466 68.26432 13.09393 
11.08257       16.87483 
1 1 1 -17 33 7  o 35.71280 12.59366 13.59031       11.38121  2.904408       
15.43653  26.31775       16.84669  31.34054 13.46344 46.74786 15.34040 
-15.40731      20.41058 
1 1 1 -17 33 8  o 23.52939 10.71680 -5.139760      11.29337  -6.548924      
15.56125  -3.571643      16.41544  27.37468 12.51140 29.30704 13.17549 
-1.932365      18.16944 
1 1 1 -17 33 9  o 44.02968 12.64235 22.61695       11.91465  27.10997       
16.62381  17.87097       17.08539  47.46592 15.21293 40.98339 15.28438 
6.482525       21.56491 
1 1 1 -17 33 10 o 111.7427 6.183281 130.7867       13.99578  139.4145       
18.76447  119.9686       21.01166  114.1811 8.134657 104.5766 10.00240 
9.604485       12.89266 
1 1 1 -17 33 11 o 29.39147 12.06539 5.083679       11.54972  6.763313       
15.06965  2.692424       17.98079  33.10490 13.70524 33.14210 14.38397 
-0.3720474E-01 19.86786 
1 1 1 -17 33 12 o 28.22777 11.97521 2.757503       11.94168  7.398750       
16.24522  -2.698717      17.61385  34.13959 14.18953 30.51465 13.68846 
3.624937       19.71590 
1 1 1 -17 33 13 o 69.81920 10.31208 54.64900       14.20042  40.43394       
19.05878  72.38884       21.29098  56.42376 15.91865 77.76322 13.97772 
-21.33946      21.18443 
1 1 1 -17 33 14 o 77.73579 9.350520 66.85535       14.48464  67.37618       
19.92153  66.27121       21.09779  74.89954 13.57959 73.35699 14.65583 
1.542549       19.97995 
1 1 1 -17 33 15 o 72.25104 16.34976 68.34668       23.46124  86.23461       
37.34600  56.68480       30.15423  72.60238 22.74678 60.88494 20.53837 
11.71744       30.64703 
1 1 1 -17 33 16 o 52.26953 15.18097 36.07698       17.09202  37.30085       
20.60847  33.38007       30.59240  51.73273 16.96644 48.38519 19.72315 
3.347542       26.01659 
1 1 1 -17 33 17 o 33.92921 14.50787 8.445226       17.77546  11.55167       
21.98624  2.582793       30.20358  37.04922 15.99252 37.18665 17.15459 
-0.1374321     23.45295 
1 1 1 -17 33 18 o 41.43874 15.41936 23.13147       17.36919  93.60304       
29.31050  -15.00961      21.56318  78.53919 18.63302 27.95594 13.37615 
50.58325       22.93711 
1 1 1 -17 34 1  o 81.27897 7.644647 73.07336       12.48688  94.19458       
34.37820  69.86337       13.40221  72.50110 21.65719 78.72259 8.507199 
-6.221489      23.26814 
1 1 1 -17 34 2  o 107.1950 7.348122 125.0185       15.92111  105.2530       
34.84514  130.2336       17.89868  80.71040 21.02173 108.5951 8.164879 
-27.88472      22.55168 
1 1 1 -17 34 3  o 35.37894 12.83603 14.18838       11.91382  -15.52705      
28.63721  20.40792       13.10143  32.79398 15.61434 40.62955 13.53763 
-7.835567      20.66579 
1 1 1 -17 34 4  o 87.97176 7.351799 83.38290       13.03135  93.96101       
33.00663  81.42957       14.18359  79.87064 20.28371 86.36524 8.173194 
-6.494606      21.86847 
1 1 1 -17 34 5  o 22.11084 10.22626 -6.535123      10.83597  -28.52109      
32.52917  -3.790919      11.49234  33.10186 15.98830 24.06770 10.90282 
9.034159       19.35192 
1 1 1 -17 34 6  o 26.78055 12.12410 -3.968828      14.18538  45.21858       
32.21714  -15.79806      15.79931  55.77182 20.95117 24.24248 11.55786 
31.52934       23.92772 
1 1 1 -17 34 7  o 122.7517 7.220888 160.3480       17.94537  178.5294       
38.66676  155.3569       20.25937  119.4727 16.34402 119.9203 8.360016 
-0.4476242     18.35802 
1 1 1 -17 34 8  o 72.01933 11.49908 59.37095       16.27436  90.93037       
34.98120  50.65337       18.38519  79.44205 21.24241 64.41855 14.39698 
15.02351       25.66150 
1 1 1 -17 34 9  o 41.31088 14.67688 19.61857       15.48570  25.69422       
30.49637  17.50768       17.97565  47.79654 19.61141 40.56451 15.55324 
7.232025       25.03020 
1 1 1 -17 34 10 o 57.64845 11.64469 38.50599       13.18111  30.40569       
18.40571  47.03397       18.88535  49.16323 16.02974 61.41119 15.20350 
-12.24795      22.09296 
1 1 1 -17 34 11 o 38.90503 12.95334 17.45901       11.99573  7.485273       
15.68973  31.49244       18.61094  33.57380 13.94880 49.78592 16.11125 
-16.21212      21.31059 
1 1 1 -17 34 12 o 26.68169 11.76537 -0.5630540     12.45559  -0.6822697     
16.51624  -0.4058400     18.96662  30.13301 13.40425 32.05125 14.30319 
-1.918236      19.60243 
1 1 1 -17 34 13 o 66.48341 10.51055 50.37948       13.73748  48.12607       
18.88199  52.91364       20.02371  61.46428 15.19340 64.28194 15.49880 
-2.817669      21.70374 
1 1 1 -17 34 14 o 44.33210 13.75159 24.51980       13.68769  32.08695       
18.39997  15.14369       20.48152  49.18592 16.02676 39.09616 16.06022 
10.08976       22.68894 
1 1 1 -17 34 15 o 28.45861 12.78959 -1.209579      15.45211  -1.903240      
18.80252  0.2335564      27.12037  30.60320 13.89587 35.82571 16.42678 
-5.222511      21.51590 
1 1 1 -17 34 16 o 29.73003 12.93756 3.623370       14.62380  -12.35355      
20.59575  19.86814       20.76767  28.27780 13.39945 40.39175 16.32865 
-12.11395      21.12274 
1 1 1 -17 34 17 o 99.00876 9.876595 113.5429       19.61993  114.4209       
24.19985  111.8589       33.51551  95.72935 12.74821 83.79350 19.95502 
11.93586       23.67952 
1 1 1 -17 35 1  o 93.54623 6.687922 95.64452       12.63850  97.77743       
31.73933  95.24258       13.77793  74.72031 20.34193 92.66354 7.372768 
-17.94323      21.63682 
1 1 1 -17 35 2  o 42.72026 12.58863 23.55703       11.67759  -3.439017      
29.23142  28.68347       12.73819  34.29323 16.16285 46.91166 12.93496 
-12.61842      20.70147 
1 1 1 -17 35 3  o 50.73627 13.45731 33.31335       14.11203  60.98800       
32.04678  26.65585       15.71807  58.53296 21.07954 44.49979 14.82805 
14.03317       25.77243 
1 1 1 -17 35 4  o 65.29016 9.819143 48.83869       12.63324  106.8702       
34.95451  40.11943       13.54912  82.67719 20.80674 57.52956 11.97123 
25.14763       24.00481 
1 1 1 -17 35 5  o 72.16097 9.705228 58.94851       13.88052  70.26016       
34.67180  56.78954       15.14734  64.55085 22.02196 69.81603 11.03596 
-5.265182      24.63248 
1 1 1 -17 35 6  o 45.98218 13.18058 26.12467       12.96067  51.28065       
30.52415  20.59183       14.31519  57.49591 20.58674 41.10706 14.14675 
16.38885       24.97888 
1 1 1 -17 35 7  o 24.00472 11.00959 -5.485160      12.19367  -4.729753      
13.83587  -8.112749      25.80443  25.95341 11.83676 33.58099 15.61726 
-7.627579      19.59611 
1 1 1 -17 35 8  o 102.4165 7.224792 112.3475       14.95039  119.6987       
17.28267  90.49096       29.80040  105.0089 8.157469 81.33780 18.44186 
23.67109       20.16548 
1 1 1 -17 35 9  o 76.75204 8.328441 64.35736       12.79027  69.20595       
17.49281  58.78754       18.74878  77.36491 11.46607 69.41067 13.76912 
7.954239       17.91813 
1 1 1 -17 35 10 o 100.7665 6.880076 108.2773       14.01385  141.3234       
19.60745  73.76873       20.03666  113.7954 8.535332 78.58102 12.99287 
35.21440       15.54563 
1 1 1 -17 35 11 o 42.60114 13.18907 22.12760       12.59769  13.32626       
17.73171  31.09795       17.90116  37.33629 15.08991 48.84941 15.80029 
-11.51312      21.84845 
1 1 1 -17 35 12 o 72.02106 9.297783 58.04303       13.29932  60.17476       
18.35073  55.68470       19.30141  70.17900 13.34638 66.22971 14.71364 
3.949287       19.86497 
1 1 1 -17 35 13 o 36.60176 13.45357 15.32403       13.14891  22.53592       
17.88272  6.835856       19.40063  42.32115 15.66580 34.49291 14.95564 
7.828239       21.65845 
1 1 1 -17 35 14 o 33.84898 13.77448 10.67380       14.88968  -5.117802      
17.97236  45.23372       26.58756  28.74482 13.25068 53.78201 19.21804 
-25.03719      23.34339 
1 1 1 -17 35 15 o 22.31553 10.64335 -12.39649      13.42561  0.6958407      
18.57436  -26.71944      19.42772  30.89721 13.94097 24.03429 11.77369 
6.862921       18.24748 
1 1 1 -17 35 16 o 27.68239 12.80806 -4.571220      17.02238  -15.75173      
33.83469  -0.7822310     19.69668  33.66876 16.27266 30.65116 14.03389 
3.017597       21.48836 
1 1 1 -17 35 17 o 61.60522 15.01481 53.14736       18.63855  24.98698       
22.58275  113.3176       33.01022  41.40037 16.91870 82.79475 19.86118 
-41.39439      26.09040 
1 1 1 -17 36 1  o 48.21399 11.69233 30.28321       11.34562  64.16545       
31.52917  25.24322       12.16021  54.07127 20.63010 42.76280 12.90462 
11.30846       24.33373 
1 1 1 -17 36 2  o 67.89381 8.803096 53.26999       11.86784  94.08392       
33.37167  47.36095       12.69792  69.94207 21.43542 62.62419 10.33132 
7.317883       23.79524 
1 1 1 -17 36 3  o 30.72577 12.81504 8.100795       13.31610  35.92309       
31.53925  2.065347       14.68959  45.79919 19.44736 28.46853 12.65362 
17.33066       23.20159 
1 1 1 -17 36 4  o 103.4948 9.778440 123.5399       20.33588  107.9958       
36.31604  130.6405       24.54502  78.51144 21.91217 103.6866 11.85401 
-25.17517      24.91307 
1 1 1 -17 36 5  o 39.85859 18.07573 11.65135       31.68784  11.65135       
31.68784  0.000000       0.000000  39.85859 18.07573 ?        ?        
0.000000       18.07573 
1 1 1 -17 36 6  o 59.40722 9.329844 40.17699       10.89964  83.61546       
31.24416  34.15808       11.63029  72.86241 20.32063 53.57190 11.04293 
19.29051       23.12735 
1 1 1 -17 36 7  o 24.94899 10.85629 0.9153123      10.29583  2.368227       
13.36994  -1.201694      16.13877  28.45500 12.37657 28.97308 13.04102 
-0.5180817     17.97909 
1 1 1 -17 36 8  o 99.93262 7.244295 107.8242       14.62162  98.84791       
16.63094  138.3843       30.68639  94.41054 8.762433 104.3985 14.87507 
-9.987961      17.26406 
1 1 1 -17 36 9  o 71.23101 10.42226 58.41808       14.65009  68.77957       
17.05632  29.26950       28.60769  76.64135 11.28136 46.57479 19.03884 
30.06656       22.13022 
1 1 1 -17 36 10 o 24.28337 10.91165 -2.207253      11.24280  14.43295       
15.39672  -21.21471      16.45549  36.59971 14.29519 23.05638 11.19199 
13.54333       18.15524 
1 1 1 -17 36 11 o 26.70408 11.63711 1.460172       11.86725  -17.63082      
15.55782  28.02380       18.35178  23.07783 11.12419 45.67299 16.00048 
-22.59516      19.48750 
1 1 1 -17 36 12 o 22.33677 10.50434 -9.024847      12.22374  -6.408096      
16.11016  -12.57555      18.76617  26.85096 12.43632 27.02609 12.80173 
-0.1751251     17.84787 
1 1 1 -17 36 13 o 101.1523 8.067706 113.0721       16.45696  130.0751       
20.23342  79.83766       28.28792  107.0501 9.389449 72.30873 18.99288 
34.74139       21.18706 
1 1 1 -17 36 14 o 36.13685 13.99624 15.41660       14.66403  12.24518       
17.49810  22.89840       26.87613  35.14263 14.67649 41.85860 17.86730 
-6.715973      23.12228 
1 1 1 -17 36 15 o 37.97803 13.70154 18.71002       13.54692  13.39887       
18.58618  24.72938       19.78659  35.63865 15.01938 41.70815 16.22902 
-6.069504      22.11251 
1 1 1 -17 36 16 o 31.86585 14.04542 6.694328       17.73259  -20.54222      
33.72192  17.10413       20.84767  32.02547 15.65075 37.34959 15.83257 
-5.324120      22.26244 
1 1 1 -17 37 1  o 111.5916 5.935078 135.9796       13.41977  174.7648       
39.14734  130.8149       14.28535  96.40215 20.59471 108.7191 6.491133 
-12.31693      21.59345 
1 1 1 -17 37 2  o 33.23341 12.11244 14.18407       10.62583  19.98362       
27.30592  13.14913       11.53504  37.75072 16.98019 32.48161 12.45795 
5.269115       21.06009 
1 1 1 -17 37 3  o 52.03139 13.36142 36.97263       14.21082  72.01593       
31.81684  28.23962       15.88314  58.91981 21.02645 43.68103 14.90512 
15.23878       25.77352 
1 1 1 -17 37 4  o 21.92144 10.35244 -8.497120      12.10120  4.759580       
30.77427  -10.92188      13.16146  35.94861 16.82898 22.14205 10.55439 
13.80656       19.86478 
1 1 1 -17 37 5  f 71.45322 21.54584 93.19372       33.90792  93.19372       
33.90792  0.000000       0.000000  71.45322 21.54584 ?        ?        
0.000000       21.54584 
1 1 1 -17 37 6  o 64.44033 9.495278 48.04007       12.06983  89.88065       
34.24465  42.10503       12.89750  70.51484 21.73115 58.94242 11.16918 
11.57242       24.43345 
1 1 1 -17 37 7  o 23.57549 11.16597 -10.76091      14.26878  -24.14079      
30.96657  -7.154384      16.07724  31.38268 15.26122 26.29466 12.26147 
5.088020       19.57673 
1 1 1 -17 37 8  o 83.99765 6.695270 76.25397       11.34134  66.79539       
14.62214  90.53671       17.96817  76.24319 9.646861 88.30939 10.19286 
-12.06621      14.03411 
1 1 1 -17 37 9  o 24.03181 10.68281 -0.6549361     10.47298  9.065402       
13.72186  -14.21824      16.20895  32.02208 13.14886 24.33908 11.63233 
7.683001       17.55573 
1 1 1 -17 37 10 o 37.34758 13.57384 17.13238       13.33115  24.92566       
15.02268  -11.74543      28.91807  43.25092 14.49704 32.89538 15.67035 
10.35553       21.34769 
1 1 1 -17 37 11 o 51.02797 13.04657 33.48735       13.59060  41.14034       
16.67925  18.36814       23.44366  55.22132 14.62230 39.70211 16.80734 
15.51922       22.27776 
1 1 1 -17 37 12 f 31.76172 13.17126 8.910980       13.95184  -8.331528      
16.93383  45.35281       24.61813  26.44656 12.41345 52.80091 18.53003 
-26.35435      22.30371 
1 1 1 -17 37 13 o 40.76361 14.38089 22.52697       14.84229  8.224851       
18.20356  50.89190       25.63580  33.14759 14.42963 54.78297 18.92689 
-21.63537      23.80003 
1 1 1 -17 37 14 o 38.41555 13.42820 19.58423       12.92211  7.784131       
17.56410  33.50761       19.07899  32.35797 14.12759 46.76307 16.31823 
-14.40509      21.58410 
1 1 1 -17 37 15 o 31.89822 12.99768 10.87361       13.27963  16.49285       
18.17857  4.443564       19.44590  36.27603 15.03822 31.50609 14.23551 
4.769945       20.70743 
1 1 1 -17 38 2  o 45.78289 13.37289 30.72307       13.22948  9.343141       
29.48414  36.11255       14.80332  33.94329 16.06904 48.87608 14.10867 
-14.93279      21.38383 
1 1 1 -17 38 3  o 26.70313 11.28466 5.658842       10.53870  35.80888       
29.89383  1.379919       11.26172  42.19510 18.42647 24.78683 11.04434 
17.40827       21.48283 
1 1 1 -17 38 4  o 61.91255 9.424836 45.70318       11.49149  67.30813       
32.41056  42.59663       12.28993  54.88958 20.92262 58.52017 10.72258 
-3.630592      23.51021 
1 1 1 -17 38 5  o 58.62234 10.49539 42.01657       12.05218  41.09730       
32.32286  42.16501       12.98888  45.61600 19.53583 57.81272 11.45332 
-12.19672      22.64569 
1 1 1 -17 38 6  o 53.53838 11.26765 35.78396       11.87909  29.54454       
32.02174  36.77965       12.79185  42.59009 18.81804 53.58767 12.03314 
-10.99759      22.33641 
1 1 1 -17 38 7  o 23.81935 10.69333 -0.9154605     10.77118  0.8230925      
31.45842  -1.146345      11.46412  35.38298 16.70413 24.34917 10.97255 
11.03380       19.98561 
1 1 1 -17 38 8  o 106.1439 9.566077 130.8494       20.42625  130.3990       
36.42374  131.0561       24.67072  87.79792 20.73243 102.6663 12.04579 
-14.86840      23.97779 
1 1 1 -17 38 9  o 21.79086 10.05808 -4.581409      10.40510  -6.225226      
12.04098  0.2653911      20.67582  22.79031 10.62198 31.22761 14.32745 
-8.437300      17.83542 
1 1 1 -17 38 10 o 33.09479 13.45125 11.59855       14.17734  11.59855       
14.17734  0.000000       0.000000  33.09479 13.45125 ?        ?        
0.000000       13.45125 
1 1 1 -17 38 11 o 20.59468 9.936039 -13.91753      12.47689  0.5089168E-01  
15.02053  -45.00684      22.40873  27.67742 12.50791 22.75048 11.39437 
4.926939       16.91980 
1 1 1 -17 38 12 o 20.52708 9.981346 -16.68531      13.23875  -18.23837      
16.21630  -13.58172      22.92397  22.79241 11.07455 28.40088 13.64238 
-5.608471      17.57158 
1 1 1 -17 38 13 o 67.26445 11.56817 56.85437       15.25296  62.88596       
18.91057  45.62435       25.80350  67.59802 14.20804 49.84557 18.74519 
17.75245       23.52128 
1 1 1 -17 38 14 o 67.84005 11.56391 58.34097       15.38091  45.80210       
18.76115  84.04404       26.86104  54.39968 15.93528 70.79533 18.46546 
-16.39565      24.39070 
1 1 1 -17 39 3  o 34.17530 11.96515 16.15262       10.26165  -1.390552      
26.24991  19.31716       11.14883  30.46897 14.62588 36.70803 12.48787 
-6.239059      19.23183 
1 1 1 -17 39 4  o 21.76466 10.34019 -7.977922      12.42249  2.702733       
28.98904  -10.38042      13.74884  32.61039 15.57732 22.14706 10.61890 
10.46332       18.85242 
1 1 1 -17 39 5  f 20.58827 9.908174 -11.58187      12.22514  -11.14021      
29.06167  -11.67682      13.47542  30.45643 14.80467 21.69625 10.43160 
8.760172       18.11068 
1 1 1 -17 39 6  o 49.70823 20.37813 57.06962       32.89194  57.06962       
32.89194  0.000000       0.000000  49.70823 20.37813 ?        ?        
0.000000       20.37813 
1 1 1 -17 39 7  o 60.22997 14.18339 51.15627       17.08469  31.06820       
32.82103  58.62245       20.00932  41.58740 18.66841 62.37176 15.76743 
-20.78436      24.43607 
1 1 1 -17 39 8  o 46.42096 10.75066 27.03254       9.948825  22.10191       
11.43363  42.40412       20.18794  40.45145 12.57178 50.85440 16.79797 
-10.40295      20.98146 
1 1 1 -17 39 9  o 81.65343 12.00412 85.12577       19.33730  94.28191       
34.93640  81.08173       23.21825  66.51638 22.10393 74.23441 15.86196 
-7.718025      27.20635 
1 1 1 -17 39 10 o 38.59389 12.62048 20.06736       11.40599  35.28618       
13.52255  -17.45758      21.23383  51.00531 12.99930 26.21086 12.72100 
24.79445       18.18806 
1 1 1 -17 39 11 o 36.60640 13.72029 18.31406       13.80117  23.83826       
15.19357  -7.748639      33.00159  40.34272 14.51590 32.99281 15.97613 
7.349911       21.58583 
1 1 1 -17 39 12 f 40.14337 12.82060 22.25823       11.81449  6.008429       
16.03667  41.54671       17.47186  30.04954 13.29508 51.99535 15.41842 
-21.94581      20.35895 
1 1 1 -17 39 13 o 26.68614 11.78521 3.235985       12.54429  6.065684       
17.27198  0.7712119E-01  18.24893  30.40650 13.60340 28.69185 13.27032 
1.714649       19.00405 
1 1 1 -17 40 5  o 30.44397 11.99693 11.68886       10.92688  38.74008       
31.08458  7.874949       11.67177  40.83902 18.26160 28.12087 11.87936 
12.71815       21.78544 
1 1 1 -17 40 6  o 40.74463 11.39933 22.37699       9.815986  10.41940       
31.22815  23.68798       10.34009  34.33981 16.33781 41.64919 11.71641 
-7.309380      20.10468 
1 1 1 -17 40 7  o 24.62450 10.48922 4.077914       9.227998  4.731181       
28.58261  4.001898       9.750128  32.97463 15.67139 24.95379 10.70936 
8.020845       18.98112 
1 1 1 -17 40 8  o 113.9887 7.230085 146.3840       16.67258  119.9634       
36.66344  153.2720       18.72017  72.75163 22.49630 115.3533 8.030556 
-42.60163      23.88667 
1 1 1 -17 40 9  o 29.39369 10.85741 10.40977       8.580698  2.099138       
10.41684  27.95162       15.13411  24.42679 10.76587 42.49826 14.54919 
-18.07147      18.09925 
1 1 1 -17 40 10 o 28.24513 12.54949 4.678721       14.43536  26.91428       
34.10408  -0.1745267     15.93304  38.89779 18.04363 27.11165 12.48998 
11.78614       21.94476 
1 1 1 -17 40 11 o 40.91753 12.20408 23.15600       10.92281  14.12505       
14.40194  35.38486       16.75897  33.06829 13.51208 46.81506 15.29741 
-13.74676      20.41046 
1 1 1 -17 40 12 o 60.75174 10.56267 46.71278       12.57546  49.60912       
16.73145  42.95222       19.06494  57.76801 14.31551 49.96566 16.31540 
7.802353       21.70544 
1 1 1 -17 41 7  o 47.54755 10.02851 28.95242       9.391376  52.37188       
32.68063  26.84435       9.804946  43.52185 19.12903 44.86943 10.86227 
-1.347580      21.99792 
1 1 1 -17 41 8  o 23.52614 10.14169 3.363321       8.818008  1.512072       
31.89109  3.516574       9.175745  31.97679 15.53559 23.89275 10.32242 
8.084038       18.65227 
1 1 1 -17 41 9  o 63.41510 7.172581 46.04098       9.086919  30.99385       
11.04846  77.49886       15.97495  47.78376 11.50755 78.16183 10.30163 
-30.37807      15.44498 
1 1 1 -16 0  1  o 261.0394 6.181168 696.1412       32.77010  696.1412       
32.77010  696.1412       32.77010  261.0394 6.181168 261.0394 6.181168 
0.000000       0.000000 
1 1 1 -16 0  2  o 218.8850 6.199280 489.7011       27.54356  489.7011       
27.54356  489.7011       27.54356  218.8850 6.199280 218.8850 6.199280 
0.000000       0.000000 
1 1 1 -16 0  3  o 186.0886 6.388922 354.3335       24.11220  354.3335       
24.11220  354.3335       24.11220  186.0886 6.388922 186.0886 6.388922 
-0.000000      0.000000 
1 1 1 -16 0  4  o 117.9783 8.014361 144.0556       19.02379  144.0556       
19.02379  144.0556       19.02379  117.9783 8.014361 117.9783 8.014361 
-0.000000      0.000000 
1 1 1 -16 0  5  f 94.94933 9.887107 95.14510       18.61636  95.14510       
18.61636  95.14510       18.61636  94.94933 9.887107 94.94933 9.887107 
-0.000000      0.000000 
1 1 1 -16 0  6  o 78.24557 16.84309 71.05459       23.51862  71.05459       
23.51862  71.05459       23.51862  78.24557 16.84309 78.24557 16.84309 
-0.000000      0.000000 
1 1 1 -16 0  7  o 193.6636 8.949409 385.5701       35.07327  385.5701       
35.07327  385.5701       35.07327  193.6636 8.949409 193.6636 8.949409 
0.000000       0.000000 
1 1 1 -16 0  8  o 266.5684 8.678443 727.9891       46.93079  727.9891       
46.93079  727.9891       46.93079  266.5684 8.678443 266.5684 8.678443 
0.000000       0.000000 
1 1 1 -16 0  9  o 110.0123 12.34627 128.6897       26.72674  128.6897       
26.72674  128.6897       26.72674  110.0123 12.34627 110.0123 12.34627 
-0.000000      0.000000 
1 1 1 -16 0  10 o 55.86670 17.17711 39.99370       17.06641  39.99370       
17.06641  39.99370       17.06641  55.86670 17.17711 55.86670 17.17711 
-0.000000      0.000000 
1 1 1 -16 0  11 f 28.40709 16.71389 9.733961       16.39441  9.733961       
16.39441  9.733961       16.39441  28.40709 16.71389 28.40709 16.71389 
0.000000       0.000000 
1 1 1 -16 0  12 o 25.11846 15.81252 3.314745       17.01382  3.314745       
17.01382  3.314745       17.01382  25.11846 15.81252 25.11846 15.81252 
0.000000       0.000000 
1 1 1 -16 0  13 o 171.1093 7.244224 300.4197       25.10401  300.4197       
25.10401  300.4197       25.10401  171.1093 7.244224 171.1093 7.244224 
0.000000       0.000000 
1 1 1 -16 0  14 o 399.6049 6.912216 1631.172       56.13147  1631.172       
56.13147  1631.172       56.13147  399.6049 6.912216 399.6049 6.912216 
-0.000000      0.000000 
1 1 1 -16 0  15 o 247.7367 6.740999 627.8475       33.90302  627.8475       
33.90302  627.8475       33.90302  247.7367 6.740999 247.7367 6.740999 
0.000000       0.000000 
1 1 1 -16 0  16 f 253.2060 6.793921 656.1586       34.92517  656.1586       
34.92517  656.1586       34.92517  253.2060 6.793921 253.2060 6.793921 
-0.000000      0.000000 
1 1 1 -16 0  17 o 33.87859 21.31619 7.760613       30.87382  7.760613       
30.87382  7.760613       30.87382  33.87859 21.31619 33.87859 21.31619 
-0.000000      0.000000 
1 1 1 -16 0  18 o 180.5501 8.169654 336.1016       29.85544  336.1016       
29.85544  336.1016       29.85544  180.5501 8.169654 180.5501 8.169654 
-0.000000      0.000000 
1 1 1 -16 0  19 o 20.53082 14.35130 -20.76764      22.12894  -20.76764      
22.12894  -20.76764      22.12894  20.53082 14.35130 20.53082 14.35130 
0.000000       0.000000 
1 1 1 -16 0  20 o 88.95417 15.74648 90.05241       25.82113  90.05241       
25.82113  90.05241       25.82113  88.95417 15.74648 88.95417 15.74648 
-0.000000      0.000000 
1 1 1 -16 0  21 o 269.1638 7.501562 745.6134       40.98796  745.6134       
40.98796  745.6134       40.98796  269.1638 7.501562 269.1638 7.501562 
0.000000       0.000000 
1 1 1 -16 0  22 o 120.2337 11.38761 154.9847       27.26879  154.9847       
27.26879  154.9847       27.26879  120.2337 11.38761 120.2337 11.38761 
-0.000000      0.000000 
1 1 1 -16 0  23 o 141.0182 10.69134 212.3788       30.25385  212.3788       
30.25385  212.3788       30.25385  141.0182 10.69134 141.0182 10.69134 
0.000000       0.000000 
1 1 1 -16 0  24 o 52.01253 23.36644 47.00723       26.41456  47.00723       
26.41456  47.00723       26.41456  52.01253 23.36644 52.01253 23.36644 
0.000000       0.000000 
1 1 1 -16 0  25 o 48.03401 23.45807 44.93526       27.05674  44.93526       
27.05674  44.93526       27.05674  48.03401 23.45807 48.03401 23.45807 
0.000000       0.000000 
1 1 1 -16 1  1  o 66.99809 9.085488 47.05681       12.05904  28.51173       
16.74034  67.06023       17.38609  51.47435 15.04527 79.72606 11.01833 
-28.25171      18.64842 
1 1 1 -16 1  2  o 185.2986 5.219085 350.5469       19.66609  344.7628       
23.99091  362.3950       34.33630  183.5697 6.426793 187.6484 8.998234 
-4.078690      11.05766 
1 1 1 -16 1  3  o 189.8339 5.150800 367.7903       19.88382  349.4723       
24.07987  407.0497       35.25222  184.8568 6.405713 199.0162 8.710570 
-14.15942      10.81236 
1 1 1 -16 1  4  o 419.6059 5.502337 1797.489       46.95050  1781.306       
57.20209  1830.898       82.19048  417.2899 6.740973 421.7552 9.583179 
-4.465363      11.71657 
1 1 1 -16 1  5  o 127.6926 5.356905 166.3964       13.91013  168.1975       
19.63561  164.5818       19.70837  127.9281 7.581723 126.5201 7.696773 
1.407944       10.80383 
1 1 1 -16 1  6  o 183.0377 4.534342 341.5068       16.87743  387.7495       
24.63047  300.5758       23.17275  194.8207 6.217076 171.4708 6.645629 
23.34998       9.100353 
1 1 1 -16 1  7  o 40.16924 12.36397 16.71867       11.08909  4.391009       
15.53190  29.53580       15.83725  34.12387 13.99793 52.41992 14.41015 
-18.29605      20.08966 
1 1 1 -16 1  8  f 109.1537 6.028538 122.0284       13.32953  111.0950       
19.02099  132.5791       18.68512  103.6334 9.118557 113.4598 8.152812 
-9.826385      12.23178 
1 1 1 -16 1  9  o 256.8538 4.366499 672.3066       22.80714  642.2879       
31.66543  704.6663       32.87701  250.7671 6.209597 262.6725 6.154975 
-11.90541      8.743158 
1 1 1 -16 1  10 o 169.5148 4.845194 292.9871       16.70207  284.9630       
23.58286  301.0623       23.65791  166.9321 6.947125 171.6062 6.779408 
-4.674118      9.706850 
1 1 1 -16 1  11 o 93.58400 7.065299 90.08821       13.34659  85.56976       
19.02653  94.46547       18.72691  90.54499 10.53007 95.34989 9.797494 
-4.804901      14.38309 
1 1 1 -16 1  12 o 74.11526 9.951569 57.51372       14.61967  72.80774       
25.74485  50.23441       17.76130  82.01668 16.01065 68.44434 13.23979 
13.57233       20.77578 
1 1 1 -16 1  13 o 112.1044 7.606030 129.3155       17.23673  113.5523       
29.46037  137.5202       21.25435  103.3909 14.40334 115.3277 9.137613 
-11.93678      17.05732 
1 1 1 -16 1  14 o 100.9597 8.512131 105.3700       17.31282  106.0691       
30.77548  105.0463       20.94052  99.39322 15.75161 100.3983 10.40795 
-1.005096      18.87958 
1 1 1 -16 1  15 o 146.6236 6.785597 220.0177       20.23221  204.5601       
34.71008  227.9722       24.89964  139.8314 12.33307 148.7953 8.261595 
-8.963913      14.84448 
1 1 1 -16 1  16 o 76.30852 11.88289 61.79890       17.83916  75.44244       
33.11699  56.22168       21.17367  82.15195 20.00914 71.91733 14.96516 
10.23462       24.98643 
1 1 1 -16 1  17 o 164.1612 8.654844 278.0507       28.79015  281.8825       
41.49233  274.4931       39.98058  164.0000 12.53646 161.9415 12.23079 
2.058472       17.51443 
1 1 1 -16 1  18 o 128.6100 7.145268 170.1521       18.61359  126.1098       
26.56983  212.5986       26.08407  109.3799 12.15072 143.3447 8.993906 
-33.96471      15.11722 
1 1 1 -16 1  19 o 112.8429 9.056968 132.1702       20.60790  122.1242       
33.74564  138.1449       26.02418  106.1199 16.14680 114.7456 11.29955 
-8.625687      19.70784 
1 1 1 -16 1  20 o 230.3582 5.541940 542.6616       25.96073  549.0959       
36.51383  536.0840       36.91753  231.0800 7.770403 228.2647 7.953210 
2.815338       11.11903 
1 1 1 -16 1  21 f 62.48285 15.63644 43.28388       19.82012  44.82824       
33.51704  42.45345       24.57794  64.27435 21.65347 61.79321 18.27846 
2.481136       28.33681 
1 1 1 -16 1  22 o 164.3660 7.429986 278.4659       24.83426  256.1931       
41.53334  290.8605       30.98303  154.8575 13.31863 167.1672 9.148966 
-12.30974      16.15826 
1 1 1 -16 1  23 o 73.37346 14.64268 60.08048       21.08242  -14.76562      
33.94824  107.0665       26.89780  40.43752 18.48086 98.99419 13.73129 
-58.55667      23.02369 
1 1 1 -16 1  24 o 90.17285 12.54549 89.25631       22.38138  65.43087       
37.16800  102.8103       28.03386  71.91267 22.71576 95.51426 14.92125 
-23.60159      27.17811 
1 1 1 -16 1  25 o 146.2362 10.98590 231.9933       32.43071  0.000000       
0.000000  231.9933       32.43071  ?        ?        146.2362 10.98590 
0.000000       10.98590 
1 1 1 -16 2  1  o 257.3030 4.305700 675.1758       22.52891  656.1169       
31.26280  695.7656       32.49424  253.2703 6.070048 260.7959 6.127089 
-7.525574      8.624773 
1 1 1 -16 2  2  o 79.96186 7.541138 66.13692       12.11746  69.25822       
16.71092  62.67595       17.59673  81.25426 10.34841 76.92545 11.61027 
4.328812       15.55274 
1 1 1 -16 2  3  o 63.55890 9.418389 42.45845       11.80477  29.65317       
16.57094  55.65280       16.82080  52.46564 14.85787 72.38063 11.83736 
-19.91499      18.99683 
1 1 1 -16 2  4  o 78.13368 7.668736 63.15064       12.02763  56.73132       
17.17257  69.33199       16.85126  73.09812 11.96674 81.34767 10.42673 
-8.249550      15.87198 
1 1 1 -16 2  5  o 144.0330 4.975276 211.6045       14.57238  203.0673       
20.52573  220.2807       20.69220  140.6733 7.199345 146.7370 6.934508 
-6.063675      9.995897 
1 1 1 -16 2  6  o 128.5930 5.278026 168.7132       13.80194  159.1977       
19.44859  178.3674       19.58997  124.4364 7.723951 131.8100 7.337679 
-7.373528      10.65368 
1 1 1 -16 2  7  o 188.9179 4.493665 363.7652       17.26335  375.1749       
24.76255  352.9759       24.07990  191.6258 6.354626 185.8678 6.370873 
5.757950       8.998294 
1 1 1 -16 2  8  f 97.14651 6.607468 96.89260       12.97553  82.51930       
17.76702  113.3210       18.99479  89.02567 9.986194 104.6924 9.009887 
-15.66676      13.44999 
1 1 1 -16 2  9  o 103.9700 6.304787 110.8269       13.26701  105.9161       
18.66391  115.8427       18.86243  101.1582 9.172733 105.8920 8.840412 
-4.733833      12.73938 
1 1 1 -16 2  10 o 138.2928 5.274662 195.1027       14.83357  192.4359       
20.93012  197.7939       21.02587  136.9030 7.547241 138.8139 7.476068 
-1.910919      10.62320 
1 1 1 -16 2  11 o 70.16872 9.057433 51.37485       12.62240  42.30224       
17.71067  60.74032       17.99424  62.53525 14.24525 75.72765 12.09172 
-13.19241      18.68521 
1 1 1 -16 2  12 o 75.09013 9.698747 58.93337       14.46369  47.66900       
24.00824  65.35088       18.12132  66.03380 17.57074 78.69045 11.67880 
-12.65665      21.09799 
1 1 1 -16 2  13 o 327.6370 5.290964 1095.426       35.25162  1073.234       
59.37503  1107.508       43.80835  323.1819 9.034527 329.1227 6.545574 
-5.940796      11.15649 
1 1 1 -16 2  14 o 194.8236 5.565883 387.5456       22.05094  371.5616       
36.97564  396.3680       27.47047  189.7446 9.614248 196.8147 6.863681 
-7.070129      11.81287 
1 1 1 -16 2  15 o 124.1478 7.168468 158.3726       18.02042  145.7975       
30.06476  165.4235       22.51260  117.7479 12.76023 126.5594 8.802194 
-8.811478      15.50168 
1 1 1 -16 2  16 o 165.2011 6.244736 279.1277       20.97870  263.9914       
34.46166  288.0395       26.44290  159.4196 10.69217 167.5502 7.760910 
-8.130630      13.21189 
1 1 1 -16 2  17 o 121.7796 9.624416 153.9527       23.63995  180.0868       
31.67946  121.1134       35.51164  131.0525 12.02123 105.5046 17.14019 
25.54791       20.93552 
1 1 1 -16 2  18 o 210.8253 6.433144 455.1259       27.58020  394.7988       
50.09374  481.3674       33.03857  193.9768 12.77079 216.5439 7.502809 
-22.56706      14.81166 
1 1 1 -16 2  19 o 31.82234 14.00828 -3.867130      17.58479  -62.23155      
29.62771  27.87486       21.84948  28.57055 14.10161 52.10264 17.48331 
-23.53209      22.46156 
1 1 1 -16 2  20 o 48.89287 16.42940 24.38588       19.29493  21.27111       
24.30232  29.69768       31.73625  49.06687 18.24269 56.46466 20.87587 
-7.397793      27.72359 
1 1 1 -16 2  21 o 170.6506 6.460465 298.7024       22.41935  312.4064       
32.10451  285.6587       31.32150  173.5422 9.129334 165.8550 9.324559 
7.687225       13.04960 
1 1 1 -16 2  22 o 60.58185 14.87217 40.84627       18.18652  28.25659       
25.58477  53.70493       25.85664  52.93126 18.85872 68.63657 18.22094 
-15.70531      26.22315 
1 1 1 -16 2  23 o 124.2183 8.061778 160.6965       20.25414  183.1266       
29.77176  141.3707       27.63482  131.2059 11.26766 114.8201 12.01339 
16.38580       16.47063 
1 1 1 -16 2  24 o 101.2794 9.761648 109.2125       19.85567  113.0615       
29.00651  105.8187       27.23725  100.3900 14.63942 97.34999 14.17478 
3.039993       20.37737 
1 1 1 -16 2  25 o 54.57492 17.53227 35.62802       22.06929  -12.59230      
39.49590  57.51868       26.61132  42.44373 19.59270 68.01894 18.67155 
-25.57521      27.06475 
1 1 1 -16 3  1  o 86.01353 7.194924 76.37673       12.46916  66.77832       
17.13068  87.19250       18.18460  79.58447 10.86929 91.35361 9.949625 
-11.76915      14.73555 
1 1 1 -16 3  2  o 40.23975 12.54083 16.79327       11.36848  9.388041       
15.96684  24.40735       16.19042  37.34206 14.56513 48.17721 14.95798 
-10.83515      20.87784 
1 1 1 -16 3  3  o 68.69917 8.588506 49.22396       11.73616  51.20279       
16.65561  47.27254       16.53987  69.25063 12.27677 66.37424 12.71706 
2.876381       17.67605 
1 1 1 -16 3  4  o 219.2909 4.382053 490.2243       19.54113  477.9484       
27.25729  503.2056       28.02955  216.2462 6.198443 221.8839 6.212106 
-5.637665      8.775589 
1 1 1 -16 3  5  o 93.85093 6.567412 90.49030       12.45485  73.33522       
17.49181  108.1325       17.73840  83.70300 10.50803 102.2840 8.608198 
-18.58095      13.58381 
1 1 1 -16 3  6  o 249.2335 4.276224 633.0287       21.67296  634.5711       
30.58297  631.4728       30.71788  249.2563 6.033678 248.6392 6.075335 
0.6170502      8.562415 
1 1 1 -16 3  7  o 86.14703 8.154561 76.72867       14.11539  98.78456       
24.58957  65.88880       17.23854  96.82030 12.80321 79.19801 11.00080 
17.62230       16.88016 
1 1 1 -16 3  8  o 148.9266 5.710128 226.3895       17.29297  231.5985       
29.32533  223.6124       21.41208  149.7847 9.679507 147.8509 7.121695 
1.933853       12.01713 
1 1 1 -16 3  9  o 39.29184 13.52876 14.68504       13.09260  23.43233       
22.00864  9.893999       16.28815  49.80287 17.51806 38.03542 14.74555 
11.76745       22.89790 
1 1 1 -16 3  10 o 163.8822 5.587329 274.1053       18.62033  299.9477       
32.40247  261.3636       22.75229  170.6041 9.375763 159.8573 6.999084 
10.74675       11.70009 
1 1 1 -16 3  11 o 124.0001 5.837726 156.9940       14.72031  165.1844       
21.30290  149.5095       20.36415  126.6559 8.317295 120.4613 8.365041 
6.194611       11.79624 
1 1 1 -16 3  12 o 177.1468 4.910330 320.0450       17.68868  312.4424       
25.02713  327.6336       25.00404  174.7495 7.042774 178.9743 6.870179 
-4.224823      9.838700 
1 1 1 -16 3  13 o 173.3715 5.050990 306.6365       17.80761  301.5227       
24.78209  312.0957       25.60563  171.6414 7.100100 174.6067 7.211459 
-2.965317      10.12011 
1 1 1 -16 3  14 o 161.4792 5.268350 266.1314       17.29986  240.2653       
23.81015  295.0561       25.17856  153.1120 7.647183 169.7348 7.294719 
-16.62277      10.56846 
1 1 1 -16 3  15 o 228.8193 4.770585 534.1009       22.19809  578.8816       
32.27361  493.8956       30.58046  237.8486 6.672607 219.6598 6.846079 
18.18875       9.559941 
1 1 1 -16 3  16 o 33.21727 13.43027 5.327055       14.05159  23.78753       
19.95917  -12.81422      19.78586  48.96059 16.70853 30.68626 14.05571 
18.27433       21.83434 
1 1 1 -16 3  17 o 184.3473 6.336825 347.7940       23.75527  371.8747       
28.82691  296.8372       41.93382  190.3875 7.445746 168.3755 12.33293 
22.01201       14.40626 
1 1 1 -16 3  18 o 201.6418 6.312747 416.2474       25.88513  399.5471       
45.31096  424.3382       31.53812  195.7297 11.43373 203.2733 7.629640 
-7.543564      13.74561 
1 1 1 -16 3  19 o 128.9498 7.926115 171.6008       20.68347  206.2965       
34.47386  152.0869       25.85374  140.0806 12.22459 120.6376 10.64803 
19.44299       16.21176 
1 1 1 -16 3  20 o 196.1977 6.442750 394.4762       25.70494  428.8643       
32.33953  335.4742       42.36067  204.2026 7.787911 178.9764 11.70344 
25.22618       14.05782 
1 1 1 -16 3  21 o 61.71109 14.27906 41.89476       17.56357  45.70471       
24.16250  37.62638       25.57491  63.89800 17.88749 58.81977 18.87108 
5.078232       26.00153 
1 1 1 -16 3  22 o 248.7328 5.441695 633.7626       27.52445  592.9663       
37.75791  680.0264       40.20847  239.6816 7.746791 256.6961 7.702767 
-17.01454      10.92453 
1 1 1 -16 3  23 o 79.15718 11.74583 67.70583       18.33361  83.50018       
25.73726  51.43534       26.12231  86.52467 15.18120 66.45995 18.59669 
20.06471       24.00636 
1 1 1 -16 3  24 f 72.58905 13.26520 58.86403       18.85951  72.66618       
25.56618  42.38747       27.93351  79.13294 16.42530 59.79691 19.75976 
19.33603       25.69510 
1 1 1 -16 3  25 o 151.4013 9.082356 243.8621       27.83352  261.2314       
52.06469  236.9117       32.93484  148.1718 17.62507 147.6726 11.04745 
0.4992676      20.80118 
1 1 1 -16 4  1  o 120.3808 5.518106 148.0866       13.50824  132.6868       
18.53306  165.5401       19.73017  113.3449 8.093925 126.7528 7.690958 
-13.40788      11.16523 
1 1 1 -16 4  2  o 30.79716 12.07742 5.976154       11.02394  6.112337       
15.89504  5.849939       15.30227  35.30915 14.28128 34.64447 14.01245 
0.6646729      20.00759 
1 1 1 -16 4  3  o 61.11932 10.92896 39.74791       13.08481  48.27549       
22.79365  35.55651       15.98015  66.30219 16.86580 57.23246 13.87459 
9.069729       21.83940 
1 1 1 -16 4  4  o 88.46945 8.095904 80.94952       14.40350  80.18449       
23.63613  81.40144       18.16617  86.66940 13.87930 88.25929 10.31631 
-1.589897      17.29338 
1 1 1 -16 4  5  o 316.8890 4.981474 1024.345       32.10084  1027.528       
54.54518  1022.658       39.70499  316.4098 8.477251 316.3537 6.171926 
0.5612183E-01  10.48601 
1 1 1 -16 4  6  o 25.26464 11.14901 -3.206681      11.20569  -0.3642223     
15.83551  -6.057575      15.85899  31.87809 13.66370 29.30062 13.07712 
2.577471       18.91317 
1 1 1 -16 4  7  o 105.7062 6.013890 114.4807       12.87385  94.48475       
17.83246  136.2462       18.60482  95.45375 9.305184 115.0347 8.003099 
-19.58092      12.27339 
1 1 1 -16 4  8  o 118.6383 5.696105 143.6727       13.74215  149.4692       
19.48471  137.9357       19.38434  120.5208 7.995640 115.7031 8.293641 
4.817772       11.52019 
1 1 1 -16 4  9  o 64.22984 9.346302 43.24604       11.84950  46.73680       
16.86472  39.84248       16.65275  66.03111 13.02242 60.74031 13.79636 
5.290798       18.97163 
1 1 1 -16 4  10 o 282.2091 4.398780 811.6854       25.24380  816.9912       
35.63726  806.3420       35.76332  282.8022 6.196837 280.9397 6.259985 
1.862579       8.808416 
1 1 1 -16 4  11 o 150.0309 5.061163 229.5963       15.44125  221.8821       
21.50741  237.8026       22.18269  147.2518 7.182506 152.4467 7.155576 
-5.194916      10.13857 
1 1 1 -16 4  12 o 51.24258 11.77347 28.22749       12.01061  43.46413       
17.03807  13.17724       16.93353  63.47858 13.60783 40.54332 15.19738 
22.93525       20.39934 
1 1 1 -16 4  13 o 279.5447 4.542422 796.7216       25.82202  798.0820       
36.45378  795.3517       36.58224  279.4054 6.415882 278.9191 6.449717 
0.4863281      9.097383 
1 1 1 -16 4  14 o 286.1281 4.582089 834.8289       26.66094  796.2007       
36.90468  876.9962       38.55819  279.0218 6.504170 292.8445 6.474828 
-13.82269      9.177561 
1 1 1 -16 4  15 o 112.1103 6.742179 129.0921       15.29936  116.9406       
21.25313  142.1620       22.04152  106.0335 9.973837 117.1500 9.329596 
-11.11647      13.65719 
1 1 1 -16 4  16 o 178.9512 6.187020 327.5236       22.51478  335.0750       
27.13800  310.8480       40.32752  180.7783 7.382103 172.7225 11.54811 
8.055771       13.70600 
1 1 1 -16 4  17 o 182.4503 5.363420 340.0605       19.89930  308.8970       
26.98890  377.1829       29.45646  173.4682 7.650921 191.7080 7.555947 
-18.23972      10.75309 
1 1 1 -16 4  18 o 195.1317 6.321569 389.8334       25.08443  398.2626       
45.27573  386.1000       30.13173  195.3919 11.44476 193.8872 7.642292 
1.504745       13.76180 
1 1 1 -16 4  19 o 148.5166 6.470098 225.9718       19.54057  232.5232       
27.94007  219.6992       27.33882  149.8055 9.216380 145.5809 9.283110 
4.224625       13.08120 
1 1 1 -16 4  20 o 102.5237 9.624503 109.6716       19.83081  99.20941       
24.78868  128.2703       33.05096  96.46036 12.96559 108.9703 15.33963 
-12.50996      20.08509 
1 1 1 -16 4  21 o 160.6709 6.498917 264.8616       21.23390  279.5870       
30.61407  251.2099       29.47674  164.0903 9.211847 155.4586 9.367995 
8.631729       13.13840 
1 1 1 -16 4  22 o 128.1667 7.718796 170.1545       20.02375  163.7148       
28.61994  176.3294       28.02515  124.3488 11.44667 129.3822 10.74910 
-5.033340      15.70253 
1 1 1 -16 4  23 o 80.70836 11.34589 70.11269       18.10702  78.06029       
25.67546  62.24907       25.53948  83.29201 15.73542 73.48022 17.36666 
9.811790       23.43511 
1 1 1 -16 4  24 o 81.16982 14.17618 74.17136       22.54789  67.48846       
26.82127  90.27596       41.63626  75.37474 17.78555 83.36334 23.53184 
-7.988602      29.49701 
1 1 1 -16 4  25 o 77.91131 14.92033 70.55222       22.77824  89.54536       
40.26953  61.61618       27.62173  81.13428 23.22633 70.14059 18.92729 
10.99369       29.96171 
1 1 1 -16 5  1  f 133.6831 5.988813 182.7991       16.28053  159.3377       
26.67543  196.7257       20.55219  123.5625 10.72261 138.2870 7.334675 
-14.72447      12.99122 
1 1 1 -16 5  2  o 86.14612 7.175026 76.57506       12.45498  79.80342       
17.27435  73.07968       17.97453  87.39539 9.894200 83.35263 10.86256 
4.042755       14.69321 
1 1 1 -16 5  3  o 167.2554 4.641504 285.3343       15.78666  256.7471       
22.02114  315.5595       22.64327  158.3637 6.838059 175.6514 6.339223 
-17.28778      9.324419 
1 1 1 -16 5  4  o 92.08871 6.468090 87.14681       12.03568  80.16093       
17.21586  93.82513       16.83264  87.67828 9.824651 95.15682 8.798435 
-7.478546      13.18849 
1 1 1 -16 5  5  o 117.7582 6.474225 142.2025       15.44399  146.0853       
18.46471  133.1611       28.17675  119.1602 7.660687 112.6240 12.51455 
6.536194       14.67310 
1 1 1 -16 5  6  o 324.4409 5.046217 1073.760       33.29301  1072.145       
40.51734  1077.117       58.41665  323.9412 6.150684 323.8491 8.870386 
0.9210205E-01  10.79420 
1 1 1 -16 5  7  o 94.64894 7.420755 92.26310       14.16843  78.57137       
16.61443  128.7667       27.12839  86.90664 9.559160 110.8704 12.23641 
-23.96372      15.52763 
1 1 1 -16 5  8  o 203.6716 5.114798 423.1334       21.18412  412.1205       
25.50463  447.6339       38.04136  200.8458 6.244603 208.7940 8.959557 
-7.948242      10.92102 
1 1 1 -16 5  9  o 204.3433 5.194184 425.9686       21.58386  420.0263       
26.09627  438.8353       38.40033  202.7509 6.329423 206.6939 9.135998 
-3.942963      11.11432 
1 1 1 -16 5  10 o 49.05795 11.59731 25.85602       11.38708  22.73458       
15.52743  29.48812       16.74944  46.80737 14.66757 52.45553 14.96654 
-5.648155      20.95555 
1 1 1 -16 5  11 o 173.9482 4.752772 308.5301       16.81196  281.0393       
23.10377  339.4689       24.50988  165.7636 6.853972 182.2189 6.614489 
-16.45535      9.525146 
1 1 1 -16 5  12 o 98.57429 6.624087 99.80003       13.20115  105.4018       
18.41460  93.87738       18.93474  100.8842 9.073150 94.98212 9.950901 
5.902092       13.46635 
1 1 1 -16 5  13 o 120.5158 5.953342 148.3767       14.59003  149.4292       
20.44760  147.2850       20.82441  120.3757 8.405951 119.4602 8.630395 
0.9155045      12.04756 
1 1 1 -16 5  14 o 104.6301 6.776994 112.4834       14.34185  113.7931       
20.23958  111.1627       20.32556  104.6934 9.614139 103.4300 9.779770 
1.263329       13.71406 
1 1 1 -16 5  15 f 135.6091 5.868251 187.9277       16.18262  199.0468       
22.64833  176.3300       23.13066  139.0302 8.045180 130.6724 8.755311 
8.357788       11.89035 
1 1 1 -16 5  16 o 47.88345 14.77863 24.17146       15.83113  26.86060       
18.61266  17.13684       30.10390  50.63724 16.08335 50.27507 19.88065 
0.3621750      25.57175 
1 1 1 -16 5  17 o 28.37942 12.43903 -2.793015      13.73495  -1.470994      
19.26566  -4.159450      19.58661  34.46046 14.92254 33.62494 14.79336 
0.8355141      21.01251 
1 1 1 -16 5  18 o 145.8140 7.442424 218.8328       21.99463  198.3030       
38.73659  228.6007       26.71954  136.6248 14.14750 148.6651 8.878857 
-12.04031      16.70287 
1 1 1 -16 5  19 o 322.8728 5.018194 1064.828       32.94809  1057.044       
46.44773  1072.711       46.74497  320.9477 7.116703 323.3203 7.109687 
-2.372620      10.05958 
1 1 1 -16 5  20 o 72.43694 13.07610 56.64310       18.55272  56.52288       
23.20828  56.85592       30.88016  71.42161 16.33436 70.94151 20.34807 
0.4800949      26.09321 
1 1 1 -16 5  21 o 144.4714 6.885836 214.4140       20.22973  198.9394       
28.44969  230.2405       28.77134  137.9654 10.21298 148.7150 9.564527 
-10.74963      13.99232 
1 1 1 -16 5  22 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -16 5  23 o 42.99573 15.65493 17.69908       17.74382  52.93125       
25.07143  -17.65777      25.11575  67.46241 17.95781 33.27007 15.45093 
34.19234       23.68996 
1 1 1 -16 5  24 o 90.69421 12.68501 90.67655       22.75472  99.00140       
27.62156  73.09543       40.14054  93.43955 15.04765 74.95024 23.59880 
18.48931       27.98812 
1 1 1 -16 5  25 o 153.1084 8.619582 248.5489       26.72798  241.2773       
46.37606  252.1655       32.70614  143.7857 16.13956 152.6373 10.60279 
-8.851578      19.31074 
1 1 1 -16 6  1  o 132.5871 5.258350 179.5815       14.17758  173.7463       
19.36401  186.3239       20.81477  129.9218 7.359524 134.4930 7.642168 
-4.571243      10.60968 
1 1 1 -16 6  2  o 137.5601 5.108621 193.1972       14.29051  184.3524       
20.18067  202.0933       20.23911  133.8634 7.442878 140.2432 7.120085 
-6.379776      10.30010 
1 1 1 -16 6  3  o 177.0931 4.593676 319.8827       16.54297  322.6559       
23.17805  317.0030       23.61875  177.5939 6.417969 176.0005 6.599205 
1.593384       9.205424 
1 1 1 -16 6  4  o 143.8162 5.828773 211.3112       17.04654  212.8213       
20.60559  208.0367       30.34305  144.1724 7.028319 141.5348 10.61995 
2.637665       12.73502 
1 1 1 -16 6  5  o 75.63960 8.833096 59.55865       13.33079  58.45739       
15.59213  62.55084       25.70143  74.55459 10.58135 75.54287 17.12567 
-0.9882813     20.13091 
1 1 1 -16 6  6  o 121.7766 6.315381 151.9669       15.58552  151.4714       
18.46957  153.1926       29.04597  121.3798 7.519740 121.0675 11.95406 
0.3122635      14.12254 
1 1 1 -16 6  7  o 166.7373 5.408394 283.7257       18.33803  310.5927       
22.37457  228.7483       32.00647  174.3365 6.311244 148.5557 10.66590 
25.78079       12.39327 
1 1 1 -16 6  8  o 67.39779 10.26013 47.81661       13.61827  37.00252       
16.14229  74.51589       25.36413  58.49565 13.79451 83.11034 15.58010 
-24.61469      20.80932 
1 1 1 -16 6  9  o 174.8933 5.404074 312.1405       19.21967  294.7462       
22.86430  354.0324       35.48289  169.7957 6.621857 185.3360 9.446062 
-15.54033      11.53590 
1 1 1 -16 6  10 o 33.63132 13.06575 7.536287       12.80942  7.905610       
15.21260  6.636420       23.74595  35.91529 14.15467 41.85276 17.25437 
-5.937469      22.31744 
1 1 1 -16 6  11 o 127.3150 5.447854 165.4368       14.10446  133.5120       
19.26005  202.3581       20.71248  113.7779 8.383359 140.4133 7.278892 
-26.63537      11.10239 
1 1 1 -16 6  12 o 38.78759 12.84004 14.93763       11.79301  7.172111       
16.29109  23.48694       17.09348  36.34099 14.54237 47.84308 15.43608 
-11.50209      21.20738 
1 1 1 -16 6  13 o 258.8651 4.508615 683.2319       23.73385  680.2030       
32.93308  686.5049       34.23419  257.9569 6.278180 259.1000 6.497425 
-1.143066      9.035047 
1 1 1 -16 6  14 o 191.1184 7.129129 374.0645       27.70706  0.000000       
0.000000  374.0645       27.70706  ?        ?        191.1184 7.129129 
0.000000       7.129129 
1 1 1 -16 6  15 o 71.17126 10.02502 53.25142       14.10710  40.24755       
19.09033  68.89488       20.93840  60.69938 15.43198 80.28401 13.29010 
-19.58463      20.36597 
1 1 1 -16 6  16 o 115.4378 7.795421 137.4010       18.19226  131.9315       
21.60746  150.7187       33.71653  112.7209 9.515381 119.1044 14.20076 
-6.383476      17.09398 
1 1 1 -16 6  17 o 147.0270 5.906501 221.0860       17.65952  183.1896       
24.09236  265.0885       25.96085  133.0417 8.957264 160.6147 7.948445 
-27.57300      11.97541 
1 1 1 -16 6  18 o 169.2336 6.618185 293.4686       22.77598  294.4771       
38.80993  292.9388       28.12930  167.8806 11.43631 168.7330 8.197990 
-0.8524323     14.07112 
1 1 1 -16 6  19 o 112.6440 7.736676 131.0354       17.61461  143.6547       
24.76324  118.1107       25.06108  117.2346 10.49841 105.8061 11.85118 
11.42852       15.83247 
1 1 1 -16 6  20 o 138.1160 6.999830 196.3178       19.59574  226.9036       
27.47433  164.6476       27.95710  147.8927 9.180785 125.2907 11.08740 
22.60202       14.39504 
1 1 1 -16 6  21 o 161.2575 6.469022 266.8584       21.21338  265.6929       
29.78908  268.0576       30.21597  159.9044 9.199840 160.5823 9.292830 
-0.6778259     13.07646 
1 1 1 -16 6  22 o 200.4190 5.800562 412.0706       23.64071  411.1960       
33.48633  412.9396       33.37994  199.2981 8.262527 199.7393 8.218084 
-0.4411774     11.65359 
1 1 1 -16 6  23 o 35.88347 14.81015 6.000003       17.51992  8.049520       
24.09945  3.702662       25.51491  41.42566 17.25562 40.54396 17.36013 
0.8816986      24.47714 
1 1 1 -16 6  24 o 142.1129 8.996154 213.3208       25.86398  220.8714       
31.54668  197.8390       45.17260  143.3795 10.90135 130.4154 17.47237 
12.96411       20.59425 
1 1 1 -16 6  25 o 23.72117 11.53120 -27.04626      17.63586  -35.49548      
25.16986  -18.89766      24.71803  28.44403 13.81520 31.74757 14.93234 
-3.303541      20.34292 
1 1 1 -16 7  1  o 39.27861 12.64784 15.77706       11.48027  12.77301       
16.27307  18.75357       16.19830  39.64326 14.89059 43.76931 15.04931 
-4.126049      21.17101 
1 1 1 -16 7  2  o 86.03442 6.985597 76.34125       12.11604  87.47118       
16.57780  63.57923       17.75171  91.72961 9.003249 77.43337 11.63317 
14.29623       14.71017 
1 1 1 -16 7  3  o 159.0306 4.730857 258.0236       15.29932  244.8198       
21.07807  272.7256       22.24182  154.6441 6.702642 163.2201 6.701084 
-8.576050      9.477865 
1 1 1 -16 7  4  o 120.0968 6.491276 147.9659       15.79418  147.7976       
18.84199  148.3635       28.96444  119.7975 7.776474 118.9575 12.14381 
0.8400497      14.42032 
1 1 1 -16 7  5  o 84.81155 8.164232 74.47115       13.90666  75.32651       
16.44880  72.32749       26.03990  84.99396 9.690103 81.54441 16.27361 
3.449547       18.94012 
1 1 1 -16 7  6  o 99.51968 7.235216 101.9287       14.54220  92.28151       
17.13263  126.7930       27.50494  94.33693 9.041572 109.8591 12.53636 
-15.52213      15.45672 
1 1 1 -16 7  7  o 81.33027 7.140451 68.21002       11.68991  70.99168       
16.27062  65.24213       16.80645  82.46764 9.900038 78.81744 10.76748 
3.650200       14.62701 
1 1 1 -16 7  8  o 191.2067 5.221160 373.0275       20.30120  381.4592       
24.30811  353.5862       36.91093  193.2199 6.186540 185.0855 9.842259 
8.134430       11.62512 
1 1 1 -16 7  9  o 112.6520 6.866985 130.2825       15.65589  123.6856       
18.45191  147.2377       29.58162  109.4968 8.349771 118.5556 12.45635 
-9.058762      14.99598 
1 1 1 -16 7  10 o 36.94844 13.24141 12.16313       12.63073  22.78775       
15.24312  -11.11440      22.56241  46.74566 14.51383 33.91820 15.32885 
12.82747       21.10983 
1 1 1 -16 7  11 o 166.0076 4.805261 281.0530       16.22170  277.4912       
22.37224  285.0015       23.55535  164.7211 6.678959 166.8966 6.940496 
-2.175537      9.632184 
1 1 1 -16 7  12 o 167.0880 4.840029 284.7571       16.44541  299.7617       
22.92280  268.8435       23.60693  171.2057 6.584123 162.0501 7.163721 
9.155594       9.729829 
1 1 1 -16 7  13 o 95.30960 6.997522 93.47887       13.46746  80.70995       
18.14447  109.1430       20.09650  87.86509 10.35369 102.4862 9.760743 
-14.62109      14.22923 
1 1 1 -16 7  14 o 59.21834 11.02877 37.39480       12.79243  14.94206       
17.18320  65.31159       19.16029  41.77394 15.37582 78.37711 12.43692 
-36.60318      19.77607 
1 1 1 -16 7  15 o 126.4718 6.950774 164.3113       17.80773  141.6063       
20.93954  223.6451       33.84989  116.9920 8.867486 146.4337 11.45888 
-29.44169      14.48924 
1 1 1 -16 7  16 o 41.71657 13.66594 17.63176       13.37176  20.73374       
18.16914  13.96621       19.75077  46.11045 15.93374 42.66584 16.31634 
3.444611       22.80585 
1 1 1 -16 7  17 o 60.70635 11.95667 39.64046       14.23513  16.79941       
19.00197  68.85406       21.48984  43.87518 16.16610 79.99493 13.70346 
-36.11975      21.19263 
1 1 1 -16 7  18 o 121.0630 8.016030 151.3809       19.62265  133.0827       
32.13880  162.2564       24.77699  111.4815 14.52142 124.8740 9.836850 
-13.39246      17.53953 
1 1 1 -16 7  19 o 197.7530 6.484177 400.7541       26.07530  398.4455       
45.48555  401.8841       31.82361  195.2345 11.50774 197.6525 7.917642 
-2.417908      13.96843 
1 1 1 -16 7  20 o 117.8930 7.786787 143.6349       18.56286  117.3735       
25.50158  173.2315       27.07249  105.2662 12.13539 128.7363 10.43099 
-23.47005      16.00229 
1 1 1 -16 7  21 o 205.3654 5.643064 431.9232       23.56642  441.9809       
33.46924  422.0337       33.18843  207.0116 7.950597 202.2430 8.069780 
4.768539       11.32843 
1 1 1 -16 7  22 o 193.5108 5.942706 384.4156       23.38519  350.4141       
32.48676  420.9809       33.68930  183.7565 8.693853 201.6289 8.216519 
-17.87238      11.96220 
1 1 1 -16 7  23 o 118.2027 8.331694 146.1062       19.89864  165.3427       
28.56836  127.9794       27.73212  124.3143 11.42889 108.5590 12.80888 
15.75526       17.16645 
1 1 1 -16 7  24 o 40.30719 16.34266 11.25236       20.86962  17.52455       
25.01694  -3.102354      37.84618  45.49231 18.08080 44.58348 20.02769 
0.9088326      26.98191 
1 1 1 -16 7  25 o 96.87500 10.13630 101.7908       19.67270  114.0746       
28.78355  91.02229       26.94970  99.41978 14.67853 87.95554 15.64058 
11.46425       21.44963 
1 1 1 -16 8  1  o 96.14680 6.277426 95.04238       12.20612  79.35869       
17.11901  111.2615       17.40877  87.07719 9.840350 103.6502 8.329712 
-16.57302      12.89250 
1 1 1 -16 8  2  o 273.1956 6.067386 763.4879       33.70751  0.000000       
0.000000  763.4879       33.70751  ?        ?        273.1956 6.067386 
0.000000       6.067386 
1 1 1 -16 8  3  o 115.6995 6.522581 137.4353       15.28367  127.5403       
17.89669  164.0945       29.37574  111.1739 7.969093 125.2113 11.67153 
-14.03738      14.13263 
1 1 1 -16 8  4  o 96.93815 7.375602 96.85624       14.43023  88.03948       
17.04049  119.2055       27.13062  92.03195 9.229614 106.2876 12.81051 
-14.25568      15.78908 
1 1 1 -16 8  5  o 95.11104 6.452762 92.93756       12.40655  104.7696       
17.36371  80.59669       17.73313  100.6356 8.566260 87.84578 10.11138 
12.78984       13.25220 
1 1 1 -16 8  6  o 49.71682 10.88406 26.50386       10.69872  13.47024       
14.35159  42.80733       16.05121  39.03633 14.09964 63.07249 12.94831 
-24.03616      19.14311 
1 1 1 -16 8  7  o 209.5222 4.325250 447.4674       18.42861  474.5194       
25.95378  419.9595       26.17157  215.5287 5.921667 202.6893 6.349617 
12.83942       8.682383 
1 1 1 -16 8  8  o 142.6642 5.027100 207.6294       14.58424  220.3294       
20.44348  194.4675       20.81191  146.7549 6.850319 137.5964 7.465903 
9.158493       10.13245 
1 1 1 -16 8  9  o 140.0051 5.070234 199.9710       14.43521  223.0834       
20.52793  177.3626       20.30288  147.6725 6.835876 131.3581 7.633542 
16.31436       10.24696 
1 1 1 -16 8  10 o 179.8931 5.329370 330.2728       19.49584  326.0315       
23.36896  339.9828       35.35903  178.5819 6.435029 181.5125 9.613751 
-2.930542      11.56866 
1 1 1 -16 8  11 o 136.1947 6.028365 189.5177       16.69595  185.7868       
20.24291  197.4555       29.52667  134.4779 7.431197 137.9310 10.60826 
-3.453079      12.95213 
1 1 1 -16 8  12 o 175.9838 4.842099 315.9081       17.32837  306.7248       
24.25505  325.4817       24.76494  173.1231 6.889629 178.3482 6.828372 
-5.225128      9.700188 
1 1 1 -16 8  13 o 169.2767 4.948502 292.3611       17.03423  286.1009       
23.65884  299.0995       24.54569  167.1723 6.959496 170.9103 7.062451 
-3.738052      9.915281 
1 1 1 -16 8  14 o 86.44500 7.890899 77.29765       13.71841  81.22485       
18.68998  72.71051       20.19935  88.03462 10.65716 82.78585 12.37861 
5.248772       16.33416 
1 1 1 -16 8  15 o 64.66650 12.37190 44.89139       15.67647  64.12655       
18.63724  -1.637164      28.98635  77.65069 12.20548 42.14452 18.27701 
35.50616       21.97778 
1 1 1 -16 8  16 o 189.7373 5.079590 367.5953       19.59895  378.4998       
27.36359  356.1085       28.08467  192.1649 7.002412 186.3040 7.413029 
5.860840       10.19739 
1 1 1 -16 8  17 o 82.74104 9.039213 71.40169       14.96166  62.13801       
20.66805  81.60097       21.68664  75.81829 13.91813 87.58066 12.53425 
-11.76237      18.73023 
1 1 1 -16 8  18 o 295.6974 5.617774 894.1755       33.78028  863.7231       
55.80894  911.7834       42.43705  289.0792 9.493699 298.1210 7.000051 
-9.041809      11.79538 
1 1 1 -16 8  19 o 99.59919 9.852551 103.6694       19.69350  132.0019       
35.76305  91.33915       23.59278  110.1087 16.47865 92.52600 12.88906 
17.58273       20.92066 
1 1 1 -16 8  20 o 122.9521 7.420351 155.9849       18.46597  130.8681       
25.76068  182.5320       26.48399  111.3954 11.53941 132.3116 9.915244 
-20.91626      15.21414 
1 1 1 -16 8  21 o 96.27980 10.42614 97.67373       20.08706  78.86321       
25.13370  130.9315       33.41970  84.74639 15.13980 109.5919 15.42258 
-24.84549      21.61179 
1 1 1 -16 8  22 o 115.2387 8.081900 138.1387       18.81944  121.4251       
26.60482  154.8772       26.62461  106.3180 12.54735 120.9563 10.94288 
-14.63822      16.64881 
1 1 1 -16 8  23 o 67.92681 13.50399 51.39778       17.99632  29.91839       
25.39029  73.08262       25.51143  52.88005 18.79261 79.98305 16.23953 
-27.10300      24.83717 
1 1 1 -16 8  24 o 93.77728 10.49828 94.91864       19.67669  104.6043       
28.46063  86.04989       27.23396  95.71384 15.12491 85.98843 16.16818 
9.725403       22.13985 
1 1 1 -16 8  25 o 50.29895 16.65901 29.90889       19.85045  16.19622       
33.33946  37.43991       24.70724  47.26539 20.02803 55.21593 18.59122 
-7.950539      27.32683 
1 1 1 -16 9  1  o 133.9377 5.126889 183.2713       13.96395  191.6763       
19.40675  174.2479       20.10791  136.5173 7.014278 130.0056 7.639526 
6.511765       10.37123 
1 1 1 -16 9  2  o 139.0656 5.105110 197.5026       14.43697  188.0279       
19.64529  208.6274       21.28735  135.2154 7.170269 142.4032 7.376357 
-7.187744      10.28705 
1 1 1 -16 9  3  o 87.99992 7.923844 80.14945       14.02771  84.50312       
16.57213  69.14620       26.34580  90.11550 9.171124 79.32258 16.85280 
10.79292       19.18662 
1 1 1 -16 9  4  f 184.3687 4.389521 346.6256       16.45719  343.6168       
22.92756  349.8234       23.63660  183.3102 6.150633 184.9350 6.285133 
-1.624817      8.793928 
1 1 1 -16 9  5  o 179.5328 4.530829 328.7007       16.54143  306.6961       
22.70579  353.5871       24.14688  173.1559 6.448338 185.9330 6.386358 
-12.77701      9.075606 
1 1 1 -16 9  6  o 84.33253 6.940344 73.28268       11.79655  82.17377       
16.38240  63.70806       17.00045  88.91663 9.193048 77.75585 11.06371 
11.16077       14.38464 
1 1 1 -16 9  7  o 130.3213 5.173923 173.3162       13.71156  164.4378       
18.88184  183.2214       19.94385  126.4919 7.372539 133.5439 7.372571 
-7.052071      10.42637 
1 1 1 -16 9  8  f 195.0392 4.394103 387.7879       17.42784  390.0872       
24.37918  385.3849       24.92319  195.3757 6.136168 194.1660 6.312172 
1.209656       8.803185 
1 1 1 -16 9  9  o 223.0745 4.312858 507.2304       19.56440  511.9329       
27.81159  502.6236       27.52708  223.8253 6.110336 221.7822 6.103546 
2.043182       8.636520 
1 1 1 -16 9  10 o 125.5865 5.548052 161.0318       14.16886  163.8631       
19.53724  157.8906       20.57892  126.2247 7.647532 123.7843 8.222106 
2.440430       11.22888 
1 1 1 -16 9  11 o 109.9885 6.620249 124.1825       14.73821  123.6788       
17.63619  125.3485       26.83497  109.5307 7.972752 109.2604 12.29115 
0.2702942      14.65050 
1 1 1 -16 9  12 f 189.4707 4.662891 366.1262       17.96589  379.6820       
24.89156  351.3849       25.95714  192.6953 6.352278 185.2836 6.889194 
7.411713       9.370830 
1 1 1 -16 9  13 o 162.7290 5.006612 270.2274       16.56763  278.5957       
22.99999  261.2024       23.88542  164.9679 6.856096 159.6533 7.357047 
5.314590       10.05645 
1 1 1 -16 9  14 o 216.4310 4.708531 477.8763       20.72318  474.2770       
28.69589  481.7993       29.95889  215.2769 6.554971 216.9259 6.791455 
-1.649002      9.438829 
1 1 1 -16 9  15 o 76.66162 10.78370 61.98035       16.34641  59.76649       
19.76900  66.76606       29.06589  74.52467 13.54355 77.45371 18.67225 
-2.929047      23.06687 
1 1 1 -16 9  16 o 176.5352 5.311514 318.3814       19.06782  304.9941       
26.23057  333.3828       27.76691  172.3821 7.482801 180.2048 7.577220 
-7.822723      10.64925 
1 1 1 -16 9  17 o 189.4152 6.029731 367.1634       23.22545  373.7693       
38.49363  363.3819       29.12391  189.7913 10.00921 188.0770 7.614871 
1.714264       12.57658 
1 1 1 -16 9  18 o 245.9007 5.036519 617.7216       25.18499  594.6794       
35.36650  641.4283       35.87280  240.6712 7.226311 250.0083 7.056013 
-9.337112      10.09985 
1 1 1 -16 9  19 o 69.66354 13.80714 52.78988       18.86836  68.08859       
33.33907  45.58044       22.88635  77.27952 20.76904 64.01655 17.20930 
13.26297       26.97244 
1 1 1 -16 9  20 f 114.5922 7.779117 135.8082       18.02009  134.4801       
25.54695  137.1234       25.42201  112.9946 11.26837 114.1707 11.08965 
-1.176094      15.81001 
1 1 1 -16 9  21 o 79.90945 12.51126 68.77872       19.66352  91.08778       
25.16469  33.80047       31.51011  91.64122 13.94330 57.78065 20.88873 
33.86057       25.11483 
1 1 1 -16 9  22 o 62.17081 13.81293 42.92543       17.00952  24.34717       
23.89674  62.00444       24.21665  49.79913 18.16216 73.94918 16.52039 
-24.15005      24.55173 
1 1 1 -16 9  23 o 54.01814 15.61831 33.23086       18.12754  29.10106       
26.22523  37.00940       25.08517  52.52050 19.04597 56.88269 18.72180 
-4.362198      26.70683 
1 1 1 -16 9  24 o 88.69389 10.80068 85.43394       19.07809  71.10571       
27.04645  99.62327       26.91501  76.89496 17.66776 93.55898 14.62561 
-16.66402      22.93596 
1 1 1 -16 9  25 o 119.8196 9.581161 154.6813       23.14992  101.1980       
38.78072  184.2907       28.85506  86.69684 21.96962 129.6743 11.04784 
-42.97746      24.59104 
1 1 1 -16 10 1  o 224.5081 4.845980 514.7352       22.12407  487.4806       
27.07449  569.5093       38.38206  218.2052 6.101600 235.2598 8.022858 
-17.05467      10.07947 
1 1 1 -16 10 2  o 199.1810 5.153322 405.2469       20.87308  402.0356       
24.67383  413.3289       39.14344  198.2029 6.121744 200.0163 9.623704 
-1.813370      11.40576 
1 1 1 -16 10 3  o 287.5027 4.311712 842.9964       25.20827  828.8837       
34.48155  859.1981       36.94563  284.6938 5.956037 289.7625 6.270028 
-5.068665      8.647985 
1 1 1 -16 10 4  o 76.08353 10.98987 61.12300       16.51050  61.12300       
16.51050  0.000000       0.000000  76.08353 10.98987 ?        ?        
0.000000       10.98987 
1 1 1 -16 10 5  o 160.9675 4.626170 264.2910       15.14298  254.2176       
21.03292  275.1319       21.81954  157.6165 6.562155 163.9748 6.543606 
-6.358322      9.267182 
1 1 1 -16 10 6  o 66.37910 8.613697 46.01180       11.35302  39.27425       
15.75343  53.29227       16.37585  60.27550 13.21646 70.80003 11.78869 
-10.52453      17.71011 
1 1 1 -16 10 7  o 103.2597 5.773360 109.2579       12.07447  103.6234       
16.92116  115.1033       17.23492  100.1168 8.388679 105.6117 8.086457 
-5.494888      11.65164 
1 1 1 -16 10 8  o 160.4078 4.587456 262.3855       14.96404  270.7533       
20.98250  253.7245       21.34690  162.7298 6.340722 157.4834 6.665744 
5.246414       9.199832 
1 1 1 -16 10 9  o 32.18684 12.14399 7.938526       10.84872  8.028880       
14.70714  7.830679       16.06779  35.53055 13.94474 36.52483 14.49866 
-0.9942780     20.11633 
1 1 1 -16 10 10 o 159.5372 4.760326 259.6045       15.44366  239.1554       
21.32512  282.1577       22.39542  152.8666 6.860054 166.0776 6.631272 
-13.21100      9.541180 
1 1 1 -16 10 11 o 163.6650 5.509583 273.5203       18.33691  270.6120       
22.17058  279.8174       32.62329  162.6260 6.704026 164.5020 9.796627 
-1.875992      11.87088 
1 1 1 -16 10 12 o 236.7990 5.147532 572.3222       24.78737  569.9023       
29.86511  577.6800       44.43797  236.0907 6.220622 236.9082 9.224072 
-0.8174744     11.12563 
1 1 1 -16 10 13 o 229.1352 4.577497 535.5023       21.32904  526.6880       
29.73864  544.8393       30.60778  226.8944 6.445341 230.7538 6.522763 
-3.859436      9.169997 
1 1 1 -16 10 14 o 90.48580 8.441541 84.87747       15.35359  73.66293       
17.77876  117.7783       30.45185  83.73592 10.68443 104.9767 14.66536 
-21.24083      18.14469 
1 1 1 -16 10 15 o 50.52558 12.88797 27.66508       13.28398  37.14205       
18.24780  16.98039       19.37567  58.27788 15.22888 44.23644 16.32016 
14.04144       22.32188 
1 1 1 -16 10 16 o 244.0151 4.783637 607.8179       23.73702  614.4594       
33.26929  600.9313       33.87741  244.8853 6.680813 242.1182 6.880680 
2.767166       9.590466 
1 1 1 -16 10 17 o 46.40043 14.98403 22.35259       16.10425  -8.185749      
25.56465  42.44374       20.73573  37.16938 16.59512 62.00159 16.24933 
-24.83220      23.22582 
1 1 1 -16 10 18 o 278.6948 4.916374 793.3708       27.86283  800.3491       
39.04699  786.1315       39.77097  279.3064 6.874724 276.7443 7.067015 
2.562042       9.859236 
1 1 1 -16 10 19 o 144.8205 7.666335 216.3151       22.49677  199.0579       
40.60828  223.9568       27.02249  136.2491 14.89931 146.9456 9.087704 
-10.69652      17.45210 
1 1 1 -16 10 20 o 194.2553 5.674917 386.3461       22.41733  401.1325       
32.21713  372.4675       31.21251  197.2558 8.031667 190.0629 8.075697 
7.192902       11.38967 
1 1 1 -16 10 21 o 184.2892 6.762819 349.2491       25.34422  357.5626       
31.53311  334.0789       42.59612  185.9256 8.340194 177.8333 11.84672 
8.092361       14.48805 
1 1 1 -16 10 22 o 167.7941 6.322537 289.7220       21.57344  305.9185       
30.77896  274.0806       30.24691  171.2232 8.870163 161.8741 9.226876 
9.349136       12.79902 
1 1 1 -16 10 23 o 38.97174 16.14516 7.746362       20.93358  -12.02697      
24.78625  56.93900       39.09499  34.37067 15.73913 67.99792 23.37989 
-33.62724      28.18403 
1 1 1 -16 10 24 o 42.68721 15.76155 18.33812       18.07937  27.40422       
24.92398  8.270291       26.26486  50.14740 18.50813 41.74299 17.73656 
8.404404       25.63467 
1 1 1 -16 10 25 o 35.58276 15.26350 4.306887       19.78836  42.49807       
32.90187  -17.33692      24.76885  57.66861 21.26874 31.95350 15.00300 
25.71511       26.02786 
1 1 1 -16 11 1  o 156.2267 5.351518 249.5268       17.00137  274.4383       
21.06052  202.9210       28.80646  163.6613 6.328076 139.5241 10.22407 
24.13724       12.02399 
1 1 1 -16 11 2  f 168.5446 5.406610 290.3503       18.53067  284.1517       
21.78573  306.5697       35.24057  166.5554 6.432237 171.7838 10.13296 
-5.228378      12.00211 
1 1 1 -16 11 3  o 58.53996 9.753814 36.30556       11.20266  48.66765       
16.00539  24.43288       15.68536  67.39606 12.12411 47.99368 14.69352 
19.40239       19.04977 
1 1 1 -16 11 4  o 307.0323 4.262964 961.2896       26.61627  979.5206       
37.84579  943.4477       37.43967  309.4850 6.013489 303.7187 6.061905 
5.766327       8.538661 
1 1 1 -16 11 5  o 98.32827 5.965028 99.20071       11.87092  96.48721       
16.28135  102.2804       17.34513  96.54366 8.376078 99.35848 8.671522 
-2.814819      12.05628 
1 1 1 -16 11 6  o 254.8257 4.173162 661.9607       21.62519  678.9336       
30.72701  645.3031       30.44028  257.7478 5.862380 251.2621 5.957584 
6.485672       8.358248 
1 1 1 -16 11 7  o 125.1178 5.202068 159.7955       13.23568  194.8705       
19.32182  128.7858       18.16762  137.9654 6.886945 111.7376 8.049442 
26.22771       10.59356 
1 1 1 -16 11 8  o 265.4985 4.258733 718.5768       22.99290  717.1564       
32.49775  720.0007       32.53604  264.8904 6.033032 265.4162 6.028174 
-0.5258484     8.528562 
1 1 1 -16 11 9  o 85.40932 6.767877 75.11355       11.65839  78.19344       
15.72567  71.35507       17.37189  86.73553 9.049045 82.46903 10.60437 
4.266495       13.94051 
1 1 1 -16 11 10 o 119.6860 5.517593 146.2852       13.42903  154.2260       
18.60813  137.6544       19.39960  122.4404 7.509813 115.4931 8.315752 
6.947281       11.20487 
1 1 1 -16 11 11 o 81.96447 7.292845 69.36768       12.02854  85.75175       
16.72451  51.81113       17.31259  90.83443 9.180228 69.55360 12.70858 
21.28083       15.67752 
1 1 1 -16 11 12 o 65.37922 10.97196 45.37548       14.07053  55.05746       
17.07718  24.90751       24.82971  71.88501 12.11287 51.65158 18.55965 
20.23343       22.16263 
1 1 1 -16 11 13 o 62.93795 10.21511 41.91800       12.62572  57.83018       
16.90628  21.85251       18.98489  73.80830 11.65050 47.26394 16.29006 
26.54437       20.02748 
1 1 1 -16 11 14 f 190.2892 5.522349 369.9721       21.36926  369.7380       
25.69860  370.4965       38.47037  190.0209 6.650535 189.1129 10.03951 
0.9080200      12.04248 
1 1 1 -16 11 15 o 165.7439 5.244521 280.6122       17.67644  323.2073       
25.30125  239.9980       24.70590  177.5575 7.007314 152.6146 7.988511 
24.94295       10.62632 
1 1 1 -16 11 16 o 228.1814 4.836636 531.6042       22.44270  551.9072       
31.64229  511.0516       31.83613  232.0542 6.705436 223.2167 7.013619 
8.837555       9.703284 
1 1 1 -16 11 17 o 92.38840 9.411420 89.08974       17.43480  91.37434       
28.80769  87.76925       21.90128  91.44994 16.07766 90.92655 12.14859 
0.5233841      20.15141 
1 1 1 -16 11 18 o 129.3286 6.709159 172.0046       17.58408  165.2639       
24.55486  179.1000       25.19270  125.9999 9.656812 131.2434 9.503770 
-5.243546      13.54901 
1 1 1 -16 11 19 o 37.44960 14.44391 10.34392       15.56613  10.87526       
22.66776  9.869756       21.41341  42.63140 17.12054 41.29949 16.62089 
1.331909       23.86141 
1 1 1 -16 11 20 o 144.3221 6.514195 213.7850       19.11811  197.1680       
26.93216  230.6635       27.14327  137.5006 9.694053 149.0218 8.999186 
-11.52124      13.22724 
1 1 1 -16 11 21 o 59.43346 15.55485 39.53226       19.01820  11.82355       
23.76303  88.90435       31.72009  43.42328 17.49726 88.45351 18.24058 
-45.03024      25.27593 
1 1 1 -16 11 22 o 33.15786 14.06002 2.266449       16.44902  15.85827       
23.73945  -10.28527      22.81305  45.00569 17.69965 33.63265 15.28485 
11.37304       23.38598 
1 1 1 -16 11 23 o 81.24077 13.27765 73.28126       21.17755  60.49492       
25.16723  104.2953       39.19597  71.62095 17.44224 91.80137 21.39243 
-20.18042      27.60195 
1 1 1 -16 11 24 o 43.98412 15.65726 20.69251       17.63186  33.05369       
25.25392  8.936220       24.62828  53.19558 18.75945 40.99039 17.28275 
12.20520       25.50707 
1 1 1 -16 12 1  o 193.5822 6.000327 383.7506       23.62065  383.7506       
23.62065  0.000000       0.000000  193.5822 6.000327 ?        ?        
0.000000       6.000327 
1 1 1 -16 12 2  o 28.38870 11.99290 1.088441       11.89655  7.667695       
14.66853  -11.55653      20.33561  35.11267 13.87987 31.52172 14.36621 
3.590942       19.97595 
1 1 1 -16 12 3  o 103.6430 5.931923 110.2431       12.45029  100.3226       
17.00239  121.7129       18.28190  98.34056 8.588256 108.4413 8.354749 
-10.10076      11.98165 
1 1 1 -16 12 4  f 125.3294 5.096263 160.3963       12.98842  183.0561       
18.64975  139.0541       18.09941  133.4787 6.894375 116.1258 7.708306 
17.35287       10.34168 
1 1 1 -16 12 5  o 70.50513 7.930843 51.67202       11.17344  62.58866       
15.96909  41.20156       15.63934  77.12606 10.45105 61.76421 12.86930 
15.36185       16.57840 
1 1 1 -16 12 6  o 197.9884 5.068092 400.1425       20.40496  458.4519       
36.88914  374.4366       24.49320  211.1460 8.591406 191.3188 6.295591 
19.82722       10.65114 
1 1 1 -16 12 7  f 120.8521 6.204957 149.7465       15.19769  156.1822       
26.23129  146.4947       18.64603  122.4622 10.63906 119.2547 7.730463 
3.207504       13.15103 
1 1 1 -16 12 8  o 159.5314 5.582833 259.9658       18.11141  257.5660       
32.42896  261.0536       21.83392  157.6426 10.17023 159.6995 6.723208 
-2.056885      12.19160 
1 1 1 -16 12 9  f 79.83225 7.247674 65.82667       11.63776  46.45580       
15.91831  88.06855       17.05722  65.85149 12.34065 92.04607 9.237404 
-26.19458      15.41497 
1 1 1 -16 12 10 o 173.3064 4.622723 306.3549       16.29160  279.8017       
22.19363  337.3827       23.99079  165.3544 6.600260 181.5915 6.496773 
-16.23705      9.261290 
1 1 1 -16 12 11 o 174.9594 4.653498 312.2543       16.55649  339.1372       
23.66394  286.4761       23.17262  182.0735 6.391295 167.2718 6.812413 
14.80167       9.341179 
1 1 1 -16 12 12 f 188.3753 5.440382 362.4466       20.84033  358.5313       
25.27580  370.7600       36.83100  187.1470 6.641568 189.3863 9.594747 
-2.239288      11.66917 
1 1 1 -16 12 13 o 250.0101 5.267598 638.3350       26.78068  642.9885       
31.81267  627.0154       49.61667  250.6977 6.240198 246.4160 9.901645 
4.281723       11.70396 
1 1 1 -16 12 14 o 184.5538 5.688488 348.1698       21.34870  327.9927       
25.09282  401.0565       40.62493  178.9021 6.897354 196.6688 10.19291 
-17.76671      12.30727 
1 1 1 -16 12 15 o 30.74439 12.64848 3.478834       12.72768  4.321508       
16.97093  2.395600       19.24142  35.16743 14.55040 36.14729 15.26036 
-0.9798584     21.08537 
1 1 1 -16 12 16 o 113.5285 7.629110 133.0253       17.51059  152.5812       
29.39180  122.2650       21.80213  120.3087 12.18164 108.2283 10.01988 
12.08037       15.77308 
1 1 1 -16 12 17 o 36.49585 13.73620 10.70006       13.86138  17.15620       
19.57947  4.212856       19.62652  44.29280 16.39286 37.24562 15.54816 
7.047180       22.59360 
1 1 1 -16 12 18 o 148.8449 6.004858 226.8854       18.17557  242.4922       
25.49279  210.7501       25.92082  153.1922 8.213238 142.5556 8.987567 
10.63663       12.17512 
1 1 1 -16 12 19 o 148.5759 6.261698 226.2944       18.91873  226.7943       
26.44158  225.7701       27.08008  147.8943 8.832278 147.4805 9.073530 
0.4138336      12.66247 
1 1 1 -16 12 20 o 99.99303 8.517393 104.0752       17.15414  110.2939       
24.64496  98.23081       23.89181  101.7845 12.14674 95.83377 12.56221 
5.950729       17.47433 
1 1 1 -16 12 21 f 39.94619 15.56361 11.92592       18.21550  19.42669       
22.85637  -1.131110      30.15619  46.76070 17.63070 42.26836 18.48149 
4.492332       25.54226 
1 1 1 -16 12 22 o 114.5548 8.398642 137.2035       19.42835  150.0332       
28.59330  126.2002       26.47992  118.1468 12.07073 108.1796 12.25313 
9.967186       17.20005 
1 1 1 -16 12 23 o 51.71409 16.90271 30.39841       20.46038  24.25388       
24.75213  43.65472       36.35630  48.99471 18.37221 61.01883 22.37954 
-12.02412      28.95483 
1 1 1 -16 12 24 o 36.26007 14.85079 8.329541       17.44784  62.45979       
25.47660  -39.48608      23.94453  71.39178 17.64879 26.77094 13.10506 
44.62083       21.98232 
1 1 1 -16 13 1  o 208.6301 5.042173 444.8813       21.39174  439.0804       
25.44811  458.8525       39.49347  207.0298 6.044651 210.5981 9.221880 
-3.568253      11.02637 
1 1 1 -16 13 2  o 160.4106 5.184979 262.9823       16.91342  263.0492       
20.97393  262.8580       28.60052  160.2080 6.437900 159.3526 8.860994 
0.8554230      10.95280 
1 1 1 -16 13 3  o 130.8247 5.715273 175.0496       15.20471  184.3604       
19.08945  158.8925       25.14666  133.8764 7.036622 123.4840 10.10270 
10.39237       12.31172 
1 1 1 -16 13 4  o 240.9232 4.242969 591.9995       20.78739  579.9969       
29.69493  603.5333       29.10942  238.0683 6.133796 242.9108 5.892986 
-4.842499      8.505923 
1 1 1 -16 13 5  o 47.85270 12.87218 24.73359       12.79946  10.41306       
22.86368  31.27005       15.44677  42.77569 17.18876 53.61545 14.01182 
-10.83976      22.17622 
1 1 1 -16 13 6  o 261.6549 4.924572 698.8074       26.20287  649.9307       
44.35650  725.0063       32.47483  251.3199 8.679187 266.2666 5.997619 
-14.94670      10.54987 
1 1 1 -16 13 7  o 100.9135 7.192438 104.8929       14.66308  87.50481       
26.06762  112.9412       17.73481  90.21065 14.71748 104.4910 8.417728 
-14.28038      16.95471 
1 1 1 -16 13 8  o 173.9316 5.325226 308.9358       18.83511  303.5495       
34.05208  311.3102       22.60853  171.2503 9.819247 174.4350 6.373635 
-3.184784      11.70644 
1 1 1 -16 13 9  o 211.5416 9.088619 460.7555       39.09715  460.7555       
39.09715  0.000000       0.000000  211.5416 9.088619 ?        ?        
0.000000       9.088619 
1 1 1 -16 13 10 o 239.7330 4.317546 586.0310       21.04826  580.6744       
29.32481  591.7230       30.22927  238.3065 6.051289 240.5340 6.180161 
-2.227478      8.649421 
1 1 1 -16 13 11 o 210.6095 4.389857 452.3564       18.80095  466.7599       
26.39676  437.5265       26.78461  213.6434 6.075888 206.7863 6.369598 
6.857056       8.802737 
1 1 1 -16 13 12 o 183.9242 5.475812 345.5994       20.48042  349.7153       
25.01278  337.2265       35.67514  184.8062 6.655705 180.4991 9.755621 
4.307098       11.80976 
1 1 1 -16 13 13 o 114.5088 8.520098 135.6329       19.69767  135.6329       
19.69767  0.000000       0.000000  114.5088 8.520098 ?        ?        
0.000000       8.520098 
1 1 1 -16 13 14 o 181.8479 4.895649 337.6162       18.10381  373.3730       
25.11664  298.9514       26.11803  190.9435 6.468524 170.6419 7.526676 
20.30157       9.924347 
1 1 1 -16 13 15 o 183.1155 4.946660 342.4414       18.41996  372.6330       
25.98593  311.9513       26.11406  190.6672 6.702097 174.3071 7.367290 
16.36011       9.959673 
1 1 1 -16 13 16 o 89.96923 9.114072 84.40977       16.44460  70.47954       
26.56364  93.06572       20.93946  79.78024 16.89918 93.95081 11.17957 
-14.17056      20.26241 
1 1 1 -16 13 17 o 192.1894 5.224569 377.5909       20.41886  397.0058       
28.92207  358.2975       28.83140  196.5843 7.234844 186.6571 7.595733 
9.927139       10.48991 
1 1 1 -16 13 18 o 51.83262 13.63851 29.37366       14.56991  44.55052       
20.67654  14.40514       20.53413  63.35355 16.03502 43.14328 16.60364 
20.21027       23.08252 
1 1 1 -16 13 19 o 121.2980 7.168687 151.7742       17.60400  204.2638       
25.41976  103.3997       24.40298  140.2524 8.959492 98.50004 12.46180 
41.75233       15.34826 
1 1 1 -16 13 20 o 36.47429 14.60360 7.917666       16.43829  39.13346       
24.41816  -17.95441      22.23009  59.34123 18.36065 31.07923 14.46762 
28.26201       23.37575 
1 1 1 -16 13 21 o 187.6741 6.080805 361.8686       23.20688  379.5106       
32.76389  344.1063       32.87537  191.2867 8.422853 181.9438 8.885500 
9.342865       12.24323 
1 1 1 -16 13 22 o 72.89819 12.49088 58.28148       17.85039  51.66607       
25.31466  64.82381       25.17445  66.38443 18.20607 74.95995 16.91667 
-8.575523      24.85226 
1 1 1 -16 13 23 o 71.16431 15.43574 58.64991       21.69503  41.55383       
25.75645  100.4030       40.25153  58.93217 18.94117 88.46968 22.36242 
-29.53751      29.30607 
1 1 1 -16 13 24 o 30.69831 13.72289 -3.594363      17.53902  8.335022       
24.72787  -15.67166      24.88069  40.49538 17.20818 32.64682 15.23357 
7.848564       22.98223 
1 1 1 -16 14 1  o 109.0437 6.024811 122.2010       13.30784  113.1945       
17.65750  134.0434       20.24750  104.4073 8.387411 113.5466 8.838549 
-9.139374      12.18477 
1 1 1 -16 14 2  o 109.7999 5.805877 123.7449       12.91739  117.7270       
17.56754  130.8282       19.05942  106.5954 8.166516 112.3420 8.403749 
-5.746651      11.71815 
1 1 1 -16 14 3  o 185.7251 5.034509 352.3947       19.01425  333.3559       
23.46960  388.7603       32.43634  180.3751 6.398494 194.3093 8.208935 
-13.93422      10.40804 
1 1 1 -16 14 4  o 171.7154 5.415098 301.3781       18.90894  299.3181       
34.12006  302.2912       22.71641  169.8117 9.923957 171.7773 6.503128 
-1.965637      11.86489 
1 1 1 -16 14 5  o 106.8488 6.549417 117.3637       14.16195  118.3390       
25.52311  116.9299       17.02283  105.9379 12.06271 106.3821 7.925713 
-0.4442825     14.43350 
1 1 1 -16 14 6  o 168.8188 5.470044 291.2160       18.77860  297.4715       
33.95464  288.4596       22.53932  169.3975 9.899994 167.8283 6.604262 
1.569199       11.90068 
1 1 1 -16 14 7  o 252.3967 4.261088 649.6298       21.87034  671.5399       
31.44961  629.1118       30.43405  256.2394 6.035566 248.0130 6.034399 
8.226425       8.534754 
1 1 1 -16 14 8  o 123.2683 6.358726 155.9032       15.88514  161.4396       
28.88851  153.5036       19.01853  124.1804 11.57316 122.0573 7.701839 
2.123085       13.90167 
1 1 1 -16 14 9  o 86.74063 8.141523 77.96507       14.19279  91.89590       
26.55577  72.39478       16.79225  92.50183 14.60197 83.11702 10.14557 
9.384811       17.78061 
1 1 1 -16 14 10 o 117.2145 6.760369 141.1745       16.04562  116.7510       
28.39613  152.6308       19.44812  104.8086 13.64693 121.6657 7.903479 
-16.85709      15.77034 
1 1 1 -16 14 11 o 181.3421 4.660392 335.5412       17.18591  339.4583       
23.47165  331.0142       25.23289  182.1262 6.337527 179.7382 6.903594 
2.388000       9.371439 
1 1 1 -16 14 12 o 231.4552 5.150507 547.0959       24.24200  535.1419       
29.33654  572.8326       43.04565  228.6619 6.309046 235.7857 8.977602 
-7.123795      10.97276 
1 1 1 -16 14 13 o 212.8678 6.367671 463.9271       27.56398  463.9271       
27.56398  0.000000       0.000000  212.8678 6.367671 ?        ?        
0.000000       6.367671 
1 1 1 -16 14 14 o 114.6469 6.229990 134.9583       14.46997  143.2511       
20.27729  126.3535       20.65519  117.6364 8.534584 110.2543 9.299401 
7.382141       12.62212 
1 1 1 -16 14 15 o 90.05207 7.776633 83.98535       14.10117  65.82071       
19.58404  103.5418       20.32046  78.36534 12.72586 99.46057 10.19076 
-21.09523      16.30335 
1 1 1 -16 14 16 o 75.00677 10.80206 59.61934       16.00109  49.18442       
24.54079  67.33622       21.10400  66.34755 17.81396 78.94442 13.63919 
-12.59687      22.43579 
1 1 1 -16 14 17 o 163.5988 5.625129 273.8893       18.71389  296.3713       
26.49406  251.5041       26.43691  169.7123 7.676862 155.9517 8.366757 
13.76059       11.35504 
1 1 1 -16 14 18 o 46.74012 14.12286 23.42856       14.55771  26.70916       
20.33741  19.98133       20.84750  50.65111 16.86626 46.54147 16.96543 
4.109634       23.92272 
1 1 1 -16 14 19 o 86.56722 9.327134 78.52573       16.15999  64.13028       
22.69967  93.31857       23.01085  76.29172 15.16573 93.46651 12.41378 
-17.17480      19.59850 
1 1 1 -16 14 20 o 113.8380 9.276264 135.4500       21.28722  101.4517       
37.03321  152.2265       26.01447  93.82588 20.01972 120.1796 10.75852 
-26.35371      22.72740 
1 1 1 -16 14 21 o 105.3524 8.573198 116.0317       18.20772  123.6463       
26.19684  108.9159       25.32451  107.3140 12.22247 100.4433 12.68108 
6.870735       17.61246 
1 1 1 -16 14 22 o 77.89030 11.80222 66.04404       18.10818  104.9486       
26.36048  31.28074       24.91803  97.56764 13.66059 53.43904 18.64880 
44.12860       23.11687 
1 1 1 -16 14 23 o 32.99716 14.19916 1.671252       17.22297  -1.832802      
23.87731  5.471722       24.86673  36.60452 16.20768 39.98875 17.13072 
-3.384232      23.58284 
1 1 1 -16 14 24 o 45.91321 16.78194 23.17746       20.41886  24.17646       
34.67457  22.64713       25.26377  50.41677 20.82401 46.98981 18.32314 
3.426956       27.73765 
1 1 1 -16 15 1  o 186.7432 5.281868 356.7841       20.05782  351.3189       
35.87254  359.2698       24.19308  183.7539 9.633619 187.1330 6.357543 
-3.379135      11.54231 
1 1 1 -16 15 2  o 166.3157 4.539252 282.4547       15.35214  280.1032       
21.58771  284.8608       21.83685  165.2681 6.423416 166.6614 6.443229 
-1.393250      9.098103 
1 1 1 -16 15 3  o 97.05485 8.701693 97.94028       16.99165  86.90987       
27.14609  105.0458       21.78761  89.25362 15.51997 99.93562 10.89772 
-10.68200      18.96391 
1 1 1 -16 15 4  o 82.72370 9.934999 71.81329       16.37851  67.23011       
26.26262  74.73038       20.95219  77.86362 17.05805 83.61604 12.72351 
-5.752419      21.28062 
1 1 1 -16 15 5  o 74.23165 7.516421 57.15375       11.18983  60.96353       
15.71708  53.23769       15.93477  76.02827 10.44159 70.69026 11.47873 
5.338013       15.51735 
1 1 1 -16 15 6  o 209.8350 4.237875 449.0816       18.08329  462.6345       
25.48247  435.3331       25.66579  212.6704 5.892275 206.2514 6.119363 
6.418976       8.495028 
1 1 1 -16 15 7  o 212.0333 4.242272 458.5106       18.29169  452.7659       
25.57457  464.5271       26.17252  210.3864 5.977770 213.0881 6.039973 
-2.701630      8.497942 
1 1 1 -16 15 8  o 104.7654 5.788853 112.5584       12.28496  112.6090       
17.10399  112.5045       17.65627  104.3607 8.123527 104.2525 8.399642 
0.1081390      11.68528 
1 1 1 -16 15 9  o 159.8462 5.541365 261.1165       18.01235  254.4713       
31.98876  264.2016       21.79618  156.5712 10.10083 160.6044 6.673774 
-4.033157      12.10644 
1 1 1 -16 15 10 o 279.4872 5.137853 797.7256       29.20082  787.0535       
51.62897  802.7452       35.40838  276.2827 9.189423 280.0803 6.216874 
-3.797546      11.09482 
1 1 1 -16 15 11 o 90.51883 7.711588 84.73869       14.05962  80.16022       
17.20699  93.93555       24.38736  87.55528 9.834414 93.93373 13.12564 
-6.378448      16.40116 
1 1 1 -16 15 12 o 41.28075 13.49919 17.32175       13.04959  21.20483       
15.78455  8.936586       23.19530  45.45412 14.84570 42.23570 17.19035 
3.218418       22.71350 
1 1 1 -16 15 13 o 127.0496 6.423882 165.7462       16.54284  158.7779       
19.64826  182.7140       30.66007  124.0474 7.829226 132.0242 11.53589 
-7.976791      13.94179 
1 1 1 -16 15 14 o 55.48100 11.52147 33.19249       12.57372  32.51695       
17.00504  34.00732       18.67605  54.53382 14.90756 55.75461 15.76787 
-1.220783      21.69933 
1 1 1 -16 15 15 o 91.76199 8.529127 87.53978       15.73331  51.88668       
24.58539  112.2676       20.47488  68.14535 17.61346 103.6699 9.829680 
-35.52454      20.17069 
1 1 1 -16 15 16 o 20.72961 10.03093 -20.62300      12.95341  -12.96280      
17.59412  -29.68967      19.14129  28.31260 13.07209 25.24321 12.20987 
3.069391       17.88744 
1 1 1 -16 15 17 o 48.07201 13.70972 25.07327       14.05770  -1.333748      
18.87735  57.94891       21.06291  34.00141 14.74755 72.66838 14.75723 
-38.66697      20.86303 
1 1 1 -16 15 18 o 63.39141 11.93647 43.38485       14.82257  36.02541       
20.70972  51.11459       21.22432  57.13347 16.74417 67.85184 15.69459 
-10.71836      22.94967 
1 1 1 -16 15 19 o 176.9358 8.028708 323.1227       28.88769  0.000000       
0.000000  323.1227       28.88769  ?        ?        176.9358 8.028708 
0.000000       8.028708 
1 1 1 -16 15 20 o 181.9628 7.143769 341.2121       26.43391  338.5139       
45.66664  342.5718       32.41684  178.3116 12.67671 181.7096 8.772862 
-3.397995      15.41630 
1 1 1 -16 15 21 o 170.2564 6.225260 298.3349       21.55323  290.7662       
30.40421  305.9805       30.55812  166.7661 8.998806 171.1829 8.808243 
-4.416733      12.59221 
1 1 1 -16 15 22 o 39.75693 15.16412 13.70674       17.03189  21.59246       
24.23487  6.010945       23.94126  47.64362 18.10857 40.11368 16.98335 
7.529942       24.82649 
1 1 1 -16 15 23 o 51.29584 15.98131 30.69223       18.46351  23.27053       
26.53411  37.65908       25.70817  48.43676 18.80849 56.05466 18.96362 
-7.617905      26.70914 
1 1 1 -16 15 24 o 29.49872 13.73752 -12.82230      20.07591  -34.95586      
32.79884  0.4383947      25.38726  33.50772 16.15175 37.59239 16.67538 
-4.084675      23.21524 
1 1 1 -16 16 1  o 81.40606 8.174800 69.08014       13.34991  28.33142       
26.12268  83.48438       15.53123  53.31108 19.04934 89.44337 8.646853 
-36.13230      20.91998 
1 1 1 -16 16 2  o 108.1655 5.825861 120.1786       12.76721  115.7840       
17.64408  125.0084       18.49726  105.6159 8.281569 109.7475 8.350882 
-4.131569      11.76102 
1 1 1 -16 16 3  o 87.72764 8.051455 79.93031       14.20329  52.96016       
26.39156  90.92665       16.85184  68.59682 18.49694 93.38631 8.984751 
-24.78950      20.56362 
1 1 1 -16 16 4  o 187.0366 4.877670 357.3430       18.55198  360.0268       
23.41790  352.8198       30.40094  187.4841 6.142314 185.1059 8.076352 
2.378204       10.14670 
1 1 1 -16 16 5  o 250.4251 4.730736 640.3119       24.09118  661.3876       
30.34953  604.4103       39.61122  254.2272 5.870548 242.3522 8.037478 
11.87497       9.953110 
1 1 1 -16 16 6  o 206.4035 4.786815 434.9644       20.09163  447.3668       
25.15932  413.1322       33.38067  209.0975 5.916959 200.3597 8.192818 
8.737823       10.10607 
1 1 1 -16 16 7  o 50.87296 10.29638 27.73178       10.28623  24.24984       
14.21973  31.55371       14.89780  47.52520 13.85935 53.81102 13.60629 
-6.285816      19.42196 
1 1 1 -16 16 8  o 99.36597 6.078349 101.4091       12.22310  110.5256       
16.71596  90.93341       17.91881  103.3829 8.013788 93.36061 9.573735 
10.02227       12.48508 
1 1 1 -16 16 9  o 113.2214 6.190626 131.5910       14.19927  123.0039       
17.30226  149.3030       24.84922  109.1336 7.848798 119.6594 10.31282 
-10.52581      12.95985 
1 1 1 -16 16 10 o 126.4646 7.754082 164.9165       19.84492  153.5286       
29.42941  174.4127       26.87423  120.7755 12.14738 129.3936 10.29868 
-8.618111      15.92550 
1 1 1 -16 16 11 o 46.06005 15.41704 21.45510       16.98968  14.46530       
25.08952  27.37468       23.08902  46.06208 18.17019 52.20675 17.96641 
-6.144672      25.55284 
1 1 1 -16 16 12 o 235.2449 4.435449 564.6841       21.21823  567.0643       
29.64219  562.1830       30.38585  235.3439 6.193782 234.2800 6.378004 
1.063889       8.890550 
1 1 1 -16 16 13 o 84.59036 7.715810 74.15267       13.12649  69.23509       
17.10400  81.19949       20.47473  81.01808 10.63880 87.50608 11.80760 
-6.487999      15.89350 
1 1 1 -16 16 14 o 195.2294 5.561702 389.8674       22.08027  403.0025       
26.90270  362.7573       38.64957  198.2303 6.673818 186.7365 10.21677 
11.49385       12.20337 
1 1 1 -16 16 15 o 108.2084 7.565942 121.0011       16.54374  148.8561       
26.02478  102.1114       21.43129  119.1218 10.86292 98.48280 10.88316 
20.63902       15.37681 
1 1 1 -16 16 16 o 89.92063 7.959647 83.93346       14.40436  56.73529       
19.13492  119.5017       21.88204  72.26886 13.51731 106.7936 10.20011 
-34.52473      16.93399 
1 1 1 -16 16 17 o 139.4176 6.102655 199.2329       17.30167  190.8078       
23.81425  208.6515       25.17926  135.6185 8.680637 141.8110 8.774458 
-6.192535      12.34279 
1 1 1 -16 16 18 o 212.6662 5.125056 462.5860       22.16402  473.8911       
31.48604  451.4818       31.20515  214.6276 7.214080 209.4533 7.326350 
5.174332       10.28194 
1 1 1 -16 16 19 o 136.3241 6.525954 190.9359       18.09122  177.2344       
25.74200  204.3079       25.43055  130.1586 9.797501 140.1035 8.973125 
-9.944946      13.28563 
1 1 1 -16 16 20 o 118.1043 8.892054 145.7302       21.19927  146.3334       
37.94605  145.4565       25.56005  114.6120 16.77799 117.2387 10.84394 
-2.626648      19.97728 
1 1 1 -16 16 21 o 81.26234 11.02334 70.97068       17.74586  49.38288       
24.92168  93.17480       25.27493  65.07142 18.14879 91.94391 13.95660 
-26.87249      22.89466 
1 1 1 -16 16 22 o 80.00174 13.88335 71.81557       21.76723  76.51956       
25.87246  60.41920       40.27056  81.33638 16.21134 68.99568 23.72847 
12.34070       28.73757 
1 1 1 -16 16 23 o 48.68024 15.61251 27.44778       17.50634  41.48322       
24.81869  13.54945       24.69716  58.08508 18.58521 42.90214 17.63112 
15.18293       25.61770 
1 1 1 -16 16 24 o 159.5570 7.739540 269.0017       25.11206  288.8887       
42.88977  258.6279       30.97689  159.1268 13.37852 154.3336 9.922800 
4.793228       16.65673 
1 1 1 -16 17 1  o 140.9460 6.307287 203.9430       18.07785  0.000000       
0.000000  203.9430       18.07785  ?        ?        140.9460 6.307287 
0.000000       6.307287 
1 1 1 -16 17 2  o 137.7440 6.032301 194.5183       16.89691  186.3071       
31.14017  197.9446       20.11570  132.8625 11.64316 138.5394 7.164710 
-5.676941      13.67100 
1 1 1 -16 17 3  o 165.5113 4.659253 279.8342       15.68178  303.8273       
22.62753  257.6598       21.75307  172.0908 6.465887 158.4134 6.752695 
13.67735       9.349149 
1 1 1 -16 17 4  f 64.00347 8.190989 42.87952       10.41627  67.98314       
14.77784  18.09281       14.68427  80.58374 9.181991 42.46907 14.33234 
38.11467       17.02131 
1 1 1 -16 17 5  o 156.5631 5.177723 250.5409       16.48465  244.8012       
20.44944  261.1923       27.85720  154.5252 6.507748 158.8875 8.654393 
-4.362289      10.82817 
1 1 1 -16 17 6  o 188.3103 4.810682 362.1380       18.42181  366.9448       
22.77759  353.0480       31.32287  189.3439 5.915684 185.1271 8.320321 
4.216812       10.20897 
1 1 1 -16 17 7  o 188.2240 4.767589 361.7423       18.24842  354.4057       
22.45942  375.9945       31.30345  186.0908 5.935019 191.1537 8.053007 
-5.062836      10.00377 
1 1 1 -16 17 8  o 154.3703 5.152691 243.4747       16.17519  246.8029       
20.22430  237.5665       26.94607  155.2170 6.407414 151.5467 8.781383 
3.670258       10.87049 
1 1 1 -16 17 9  o 66.70724 9.361124 46.81594       12.34891  35.17741       
14.78170  73.70598       22.46834  56.86152 13.05889 82.70602 13.84890 
-25.84450      19.03488 
1 1 1 -16 17 10 o 63.33411 9.862444 42.43778       12.28858  41.19751       
15.00891  44.95995       21.40319  61.76659 12.38051 63.75795 16.41110 
-1.991364      20.55727 
1 1 1 -16 17 11 o 111.5023 7.264226 128.1741       16.38124  139.4305       
29.27192  123.0415       19.76627  114.7411 12.76148 108.8326 9.012390 
5.908577       15.62302 
1 1 1 -16 17 12 f 51.08565 11.63975 28.25402       11.82219  24.72134       
15.88885  32.63540       17.69478  48.16747 14.79549 54.63169 15.31229 
-6.464218      21.29255 
1 1 1 -16 17 13 o 74.87925 8.354834 58.47299       12.50496  70.40450       
17.21604  45.14769       18.19382  81.67844 10.61610 64.18600 14.30463 
17.49245       17.81359 
1 1 1 -16 17 14 o 36.82668 14.78395 7.653378       16.89587  5.438480       
21.79742  10.98722       26.74245  39.43901 16.41798 45.24041 18.44072 
-5.801399      24.69029 
1 1 1 -16 17 15 o 111.4828 7.582839 128.4707       17.08844  111.4171       
26.62179  140.4214       22.28565  102.0956 13.12673 116.0430 9.528090 
-13.94736      16.22022 
1 1 1 -16 17 16 o 37.96616 13.68521 13.13242       13.51031  22.46808       
18.39240  2.191790       19.91072  47.07259 16.03946 36.41089 15.45581 
10.66170       22.27434 
1 1 1 -16 17 17 o 57.79851 12.46099 36.40238       14.21493  25.83541       
19.41936  48.60026       20.86420  49.69936 16.47793 66.07919 15.74993 
-16.37984      22.79435 
1 1 1 -16 17 18 f 76.60374 9.999032 62.02342       15.20458  67.33412       
21.72579  56.92556       21.28599  78.50546 14.12848 71.72741 15.07235 
6.778053       20.65889 
1 1 1 -16 17 19 o 122.4858 7.151050 155.0664       17.73435  186.1066       
25.54949  126.2066       24.63578  133.4362 9.477442 109.1118 11.26518 
24.32433       14.72163 
1 1 1 -16 17 20 o 67.94977 14.86441 51.71416       19.96800  15.11344       
35.25278  69.00423       24.22964  50.53526 20.94494 78.36934 15.75011 
-27.83408      26.20604 
1 1 1 -16 17 21 o 185.6443 6.111972 355.0999       23.07354  338.5593       
32.51899  371.8702       32.74401  179.9520 8.886465 188.8019 8.528527 
-8.849945      12.31686 
1 1 1 -16 17 22 o 45.62310 18.01002 18.13059       24.66572  18.13059       
24.66572  0.000000       0.000000  45.62310 18.01002 ?        ?        
0.000000       18.01002 
1 1 1 -16 17 23 o 36.40105 14.98407 8.309879       17.87452  13.58806       
25.90096  3.510341       24.69867  43.23749 17.93941 38.56846 16.79837 
4.669029       24.57657 
1 1 1 -16 17 24 o 48.66843 17.05576 28.53714       20.85320  79.24239       
34.45776  -0.7652018     26.19460  75.33322 21.45722 37.29086 16.71303 
38.04237       27.19812 
1 1 1 -16 18 1  o 188.2876 5.658171 363.4033       21.66453  0.000000       
0.000000  363.4033       21.66453  ?        ?        188.2876 5.658171 
0.000000       5.658171 
1 1 1 -16 18 2  o 198.1727 5.257796 401.9550       21.18844  360.0671       
38.13083  420.6668       25.48531  185.6534 10.13837 202.4759 6.189637 
-16.82246      11.87847 
1 1 1 -16 18 3  o 183.3510 4.411473 343.3173       16.44819  354.3526       
23.32291  332.3978       23.20009  185.8852 6.170018 179.9921 6.338475 
5.893082       8.845642 
1 1 1 -16 18 4  o 70.97095 7.783940 52.47573       11.04955  43.75988       
15.13373  62.42680       16.17059  63.62893 12.13902 76.75050 10.64762 
-13.12158      16.14706 
1 1 1 -16 18 5  o 93.32471 6.081779 89.60081       11.47887  108.8219       
16.27479  70.57317       16.19267  102.5115 7.867136 81.92405 9.922087 
20.58749       12.66253 
1 1 1 -16 18 6  o 135.4913 5.414229 187.7502       14.91762  200.0531       
18.74664  166.5104       24.63172  139.6626 6.600731 126.4513 9.651896 
13.21125       11.69311 
1 1 1 -16 18 7  o 165.0538 4.989519 278.3415       16.74695  291.0771       
20.74335  254.5014       28.38057  168.5960 6.050344 156.7487 8.940647 
11.84731       10.79545 
1 1 1 -16 18 8  o 66.62726 9.337316 46.73667       12.30357  43.48394       
14.96195  53.52998       21.62242  63.54815 12.01827 69.66606 15.64538 
-6.117908      19.72858 
1 1 1 -16 18 9  o 47.81388 12.15824 24.80462       11.84828  20.00049       
14.34331  35.12484       21.02261  43.92164 14.13666 56.72520 16.93369 
-12.80356      22.05890 
1 1 1 -16 18 10 o 54.72850 10.21913 32.01461       10.95484  42.93783       
14.84496  18.95340       16.23288  63.14363 11.99975 43.84024 15.06585 
19.30339       19.26068 
1 1 1 -16 18 11 o 137.8472 6.366039 194.7323       17.84509  185.9508       
31.75819  198.7843       21.57284  132.9343 11.87304 138.8239 7.671493 
-5.889633      14.13580 
1 1 1 -16 18 12 o 109.7218 7.415538 124.2951       16.44865  126.7262       
30.13686  123.2636       19.63041  108.7689 13.94638 108.8899 8.944275 
-0.1209106     16.56809 
1 1 1 -16 18 13 o 84.51485 7.597718 74.05811       12.91819  77.02216       
17.73531  70.70827       18.85415  85.49837 10.41596 81.49014 11.71436 
4.008232       15.67541 
1 1 1 -16 18 14 o 131.3599 7.734627 178.2734       20.56994  152.7128       
26.62812  216.0976       32.39218  120.5555 10.98227 143.4847 11.19001 
-22.92918      15.67885 
1 1 1 -16 18 15 o 128.6510 6.044962 169.6408       15.81460  189.5479       
21.98791  148.3062       22.76264  135.3520 8.024343 119.2489 9.464581 
16.10305       12.40840 
1 1 1 -16 18 16 o 25.25859 11.42332 -6.298081      12.55560  -9.208314      
16.50382  -2.299421      19.34541  28.46475 12.96103 33.94091 14.82248 
-5.476158      19.68995 
1 1 1 -16 18 17 o 198.7747 5.114896 404.1958       20.67519  382.4927       
28.73842  427.4803       29.76696  192.7476 7.332001 203.8190 7.181884 
-11.07143      10.26342 
1 1 1 -16 18 18 o 136.7416 6.275147 191.9726       17.44921  198.0154       
24.58221  185.8358       24.77272  137.9687 8.807669 133.5101 9.180275 
4.458649       12.72213 
1 1 1 -16 18 19 o 63.15157 12.44814 43.57877       15.41768  74.42014       
22.52702  16.40238       21.14622  82.42710 13.93628 44.19873 16.88757 
38.22837       21.89543 
1 1 1 -16 18 20 o 105.9128 8.700701 117.5291       18.57371  95.94953       
26.63400  137.9595       25.91512  93.17913 14.53011 113.6741 11.36313 
-20.49496      18.44573 
1 1 1 -16 18 21 o 135.7820 7.294318 191.8042       20.06709  231.9131       
29.10317  155.4523       27.70662  148.0797 9.718749 120.1822 11.47633 
27.89750       15.03863 
1 1 1 -16 18 22 o 37.15178 16.33676 -0.9861334E-01 23.86040  -0.9861334E-01 
23.86040  0.000000       0.000000  37.15178 16.33676 ?        ?        
0.000000       16.33676 
1 1 1 -16 18 23 o 77.46660 12.08132 67.53693       18.41090  96.47559       
26.16169  39.14373       25.91396  90.96147 14.64025 55.89171 19.03873 
35.06976       24.01687 
1 1 1 -16 19 1  o 169.5252 5.560282 294.6107       19.16825  297.5964       
36.65348  293.4868       22.48850  168.1906 10.77336 168.9356 6.546178 
-0.7449799     12.60626 
1 1 1 -16 19 2  o 39.18544 12.70533 15.89412       11.56975  32.60197       
19.08472  6.185712       14.54787  54.30458 16.11692 33.87605 13.67633 
20.42853       21.13758 
1 1 1 -16 19 3  o 273.3709 4.193585 763.0330       23.31252  742.0571       
32.01572  786.7070       34.01258  269.0558 5.851530 276.9592 6.039102 
-7.903320      8.408993 
1 1 1 -16 19 4  o 131.7180 5.023017 177.4149       13.45430  175.2296       
18.86645  179.6764       19.19225  130.3366 7.145480 131.9758 7.178212 
-1.639252      10.12841 
1 1 1 -16 19 5  o 81.06364 6.809331 67.94972       11.12090  75.16290       
15.53746  60.37288       15.92433  84.74149 9.162239 75.43730 10.67896 
9.304184       14.07078 
1 1 1 -16 19 6  o 81.68372 6.719728 68.93514       11.06292  72.45854       
15.28523  65.05898       16.03214  83.20287 9.187288 78.49683 10.29152 
4.706039       13.79571 
1 1 1 -16 19 7  o 157.4219 4.546632 253.0440       14.55480  273.1255       
20.45166  232.4358       20.71812  163.2603 6.160227 150.4878 6.770139 
12.77245       9.153315 
1 1 1 -16 19 8  o 140.2883 4.829190 201.0553       13.77676  211.0866       
18.96558  189.8487       20.04583  143.4711 6.500551 135.7250 7.289633 
7.746155       9.767083 
1 1 1 -16 19 9  o 76.82057 7.321656 61.18427       11.29927  65.62788       
15.26157  55.79353       16.80951  79.03548 9.699229 72.19283 11.86223 
6.842651       15.32278 
1 1 1 -16 19 10 o 35.52199 12.30900 12.06472       10.84650  14.28328       
14.51414  9.258611       16.32328  39.48428 14.18967 37.33248 14.67849 
2.151802       20.41579 
1 1 1 -16 19 11 o 49.32238 11.15116 26.32942       10.92194  43.29114       
14.60534  4.810657       16.45074  63.41956 11.75792 34.86587 14.36620 
28.55369       18.56438 
1 1 1 -16 19 12 o 53.73075 13.63920 31.64428       14.92868  55.66704       
26.77736  20.81008       17.98269  70.22891 18.49434 45.81281 15.85059 
24.41611       24.35737 
1 1 1 -16 19 13 o 83.17018 8.723963 72.23132       14.53506  65.73130       
21.72601  77.49781       19.55616  77.62521 14.28994 85.37111 11.56222 
-7.745903      18.38172 
1 1 1 -16 19 14 o 171.7613 5.760791 302.1881       20.12143  308.3025       
31.92871  298.1600       25.91518  172.3013 9.145328 170.1816 7.488420 
2.119675       11.82004 
1 1 1 -16 19 15 o 145.5279 5.729194 216.9600       16.95475  205.0383       
22.66229  232.1161       25.55227  140.7723 7.949045 149.6479 8.431022 
-8.875641      11.58747 
1 1 1 -16 19 16 o 81.52219 8.937554 69.61928       14.57358  92.92104       
20.03709  43.44712       21.23538  93.78128 10.69818 62.27337 16.50346 
31.50792       19.66762 
1 1 1 -16 19 17 o 139.8370 6.157170 200.6625       17.50873  205.8057       
24.78108  195.5358       24.74113  140.7223 8.702469 137.0766 8.924398 
3.645721       12.46507 
1 1 1 -16 19 18 o 177.0670 5.457603 321.2661       19.65129  308.6119       
27.54464  334.3837       28.04432  172.8371 7.836979 179.9716 7.662835 
-7.134491      10.96072 
1 1 1 -16 19 19 o 110.1658 7.682202 126.1037       17.10240  137.8225       
24.14490  114.3039       24.22820  114.1577 10.51919 103.3875 11.73166 
10.77018       15.75706 
1 1 1 -16 19 20 o 24.20858 11.52863 -18.50000      15.62629  -32.75261      
21.58160  -2.793978      22.65529  26.56081 12.87561 35.98173 15.86681 
-9.420923      20.43372 
1 1 1 -16 19 21 o 129.6339 7.743830 175.6875       20.32057  193.6506       
28.84374  157.9863       28.63269  134.5306 10.62995 120.7327 11.81371 
13.79785       15.89213 
1 1 1 -16 19 22 o 52.00294 16.83964 31.87818       20.32929  22.64058       
24.72736  51.14375       35.70997  47.33493 18.21927 62.97046 22.29661 
-15.63552      28.79376 
1 1 1 -16 19 23 o 48.29057 16.03370 27.79413       18.38402  14.92885       
26.47677  39.77084       25.54608  43.46798 18.09486 55.86658 18.90372 
-12.39860      26.16820 
1 1 1 -16 20 1  o 192.3616 5.280951 379.1591       20.65770  412.3698       
39.01581  366.2222       24.35105  198.8235 9.649873 188.7288 6.344950 
10.09470       11.54896 
1 1 1 -16 20 2  o 189.7330 6.306464 369.8764       24.33213  0.000000       
0.000000  369.8764       24.33213  ?        ?        189.7330 6.306464 
0.000000       6.306464 
1 1 1 -16 20 3  o 181.9692 4.907722 338.7194       18.16056  313.4172       
28.39416  356.2350       23.62449  174.1682 8.016942 186.2703 6.236878 
-12.10214      10.15726 
1 1 1 -16 20 4  o 186.7664 4.301041 356.2389       16.33518  333.4427       
22.52688  381.5187       23.72231  180.2780 6.144787 192.8637 6.048604 
-12.58569      8.622297 
1 1 1 -16 20 5  o 200.8310 4.183114 411.7450       17.08369  424.2877       
24.14220  399.1652       24.17782  203.4815 5.834458 197.3143 6.025695 
6.167175       8.387486 
1 1 1 -16 20 6  o 119.6072 5.091987 146.2981       12.38500  144.9330       
17.29579  147.7347       17.74284  118.4946 7.212101 119.6090 7.330065 
-1.114342      10.28320 
1 1 1 -16 20 7  o 93.64120 5.940135 90.19454       11.25279  109.2731       
15.71959  70.14292       16.11549  102.7590 7.576062 81.63004 9.911592 
21.12901       12.47543 
1 1 1 -16 20 8  o 62.00172 8.674221 40.44730       10.63726  56.16148       
14.52187  22.25420       15.62537  72.89068 10.06572 46.02583 14.74875 
26.86485       17.85621 
1 1 1 -16 20 9  o 32.62867 11.83807 9.363743       10.13326  21.75101       
13.64763  -5.855711      15.12757  45.11574 13.68376 28.38718 12.71326 
16.72856       18.67812 
1 1 1 -16 20 10 o 82.97189 7.176170 71.28084       11.98888  92.75053       
16.05810  44.24217       18.02080  94.42850 8.451963 63.41671 14.31350 
31.01178       16.62264 
1 1 1 -16 20 11 o 107.0791 5.868112 117.7992       12.72910  111.4977       
16.63718  126.6958       19.76837  103.7159 7.948785 110.3451 8.885099 
-6.629219      11.92175 
1 1 1 -16 20 12 o 83.58232 9.541126 73.34356       15.92621  29.89998       
33.51846  86.01160       18.09989  56.79271 21.36318 90.45968 10.00703 
-33.66697      23.59081 
1 1 1 -16 20 13 o 191.6951 5.323329 376.0428       20.75132  354.8908       
32.65074  390.3765       26.87799  185.2478 8.667396 194.9257 6.780728 
-9.677963      11.00464 
1 1 1 -16 20 14 o 165.6599 5.219196 280.8121       17.58216  272.3965       
24.51745  289.7223       25.22762  162.6354 7.413254 167.7328 7.396171 
-5.097397      10.47185 
1 1 1 -16 20 15 o 104.9564 14.50272 119.4937       30.12652  0.000000       
0.000000  119.4937       30.12652  ?        ?        104.9564 14.50272 
0.000000       14.50272 
1 1 1 -16 20 16 o 32.20959 13.00904 5.429318       13.16887  1.748556       
18.12429  9.545606       19.16659  34.60207 14.71877 39.36319 15.76590 
-4.761112      21.56863 
1 1 1 -16 20 17 o 104.8243 7.343571 113.7987       15.55497  112.2864       
21.93624  115.3281       22.06038  103.1123 10.61325 104.5467 10.51933 
-1.434441      14.94314 
1 1 1 -16 20 18 o 58.86451 13.13529 38.23446       15.32429  54.18057       
21.21386  20.83303       22.16077  69.53607 15.40764 47.18856 17.44489 
22.34751       23.27487 
1 1 1 -16 20 19 o 102.7766 12.57524 114.1197       25.73396  0.000000       
0.000000  114.1197       25.73396  ?        ?        102.7766 12.57524 
0.000000       12.57524 
1 1 1 -16 20 20 o 35.55131 14.34350 7.739517       15.99081  -13.78168      
21.95696  32.04627       23.33472  31.61388 14.59872 53.58417 18.06733 
-21.97029      23.22824 
1 1 1 -16 20 21 o 168.1070 7.665260 294.9403       26.20379  296.7747       
32.00118  291.2074       45.64925  167.2828 9.445889 161.7855 14.01372 
5.497314       16.89997 
1 1 1 -16 20 22 o 140.1163 8.499610 208.4494       24.10356  222.1177       
30.31910  184.9737       39.73453  143.0921 10.49271 125.6005 15.91393 
17.49158       19.06175 
1 1 1 -16 20 23 o 125.3210 9.259335 169.9642       23.42981  265.4100       
40.20435  120.8787       28.83177  152.3424 13.10537 101.4017 14.38549 
50.94067       19.46004 
1 1 1 -16 21 1  o 209.0641 5.234890 447.9644       22.25556  491.2143       
41.72617  430.7684       26.31051  216.9824 9.456547 204.6397 6.322484 
12.34270       11.37542 
1 1 1 -16 21 2  o 54.36449 12.00220 32.37845       12.91381  -4.321121      
26.42270  43.89585       14.80212  38.58669 17.06927 63.54327 11.89233 
-24.95657      20.80355 
1 1 1 -16 21 3  o 242.2414 4.701148 600.1459       23.15814  587.1200       
37.17002  608.4102       29.60657  238.4481 7.665624 243.4654 5.979975 
-5.017319      9.722238 
1 1 1 -16 21 4  o 43.01085 12.26322 20.04351       11.24923  38.80972       
19.26371  10.33254       13.85744  58.90644 15.76887 36.03213 13.69369 
22.87431       20.88478 
1 1 1 -16 21 5  o 140.9585 4.748656 203.1360       13.61173  225.1371       
19.37665  181.7013       19.12559  148.0571 6.435733 132.6801 7.114485 
15.37706       9.593464 
1 1 1 -16 21 6  o 115.6603 5.314796 136.9240       12.50036  149.3496       
17.61837  124.3283       17.73859  120.2447 7.238983 109.4693 8.024388 
10.77532       10.80711 
1 1 1 -16 21 7  o 48.09867 10.52552 25.01567       10.00906  28.41267       
13.46959  20.82710       14.95683  50.92272 12.97142 44.61866 14.44368 
6.304058       19.41333 
1 1 1 -16 21 8  o 122.4744 5.209239 153.4573       12.97391  161.8093       
17.76358  143.9084       18.99392  125.2645 7.001526 117.8607 7.971782 
7.403870       10.60993 
1 1 1 -16 21 9  o 27.44028 11.29434 2.767050       10.15412  -1.833113      
13.66928  8.430855       15.16747  28.64208 12.48532 35.85077 14.13225 
-7.208683      18.85746 
1 1 1 -16 21 10 o 131.8144 5.171576 177.7392       13.86236  178.5456       
18.75300  176.7679       20.58325  131.5942 7.033286 130.7342 7.777466 
0.8599854      10.48599 
1 1 1 -16 21 11 o 93.44215 6.675185 90.13118       12.60055  88.53219       
17.32563  91.92660       18.35897  91.93216 9.399872 93.58092 9.792399 
-1.648766      13.57382 
1 1 1 -16 21 12 o 89.41882 7.763823 83.03911       13.97732  66.77377       
20.54439  97.05585       19.07152  78.45468 13.35576 96.13051 9.897490 
-17.67583      16.62338 
1 1 1 -16 21 13 o 25.83308 12.25402 -19.76042      17.31491  0.000000       
0.000000  -19.76042      17.31491  ?        ?        25.83308 12.25402 
0.000000       12.25402 
1 1 1 -16 21 14 o 52.67786 12.08498 30.32024       12.67064  20.07906       
17.16888  42.56961       18.77689  44.78488 15.48818 61.83717 15.06987 
-17.05229      21.60983 
1 1 1 -16 21 15 o 99.48632 8.285268 103.0362       16.60942  106.3852       
20.42278  96.49387       28.54473  100.5344 10.12753 93.59762 15.54236 
6.936798       18.55079 
1 1 1 -16 21 16 o 75.53545 9.766918 60.34067       14.65101  72.40903       
20.26646  47.12905       21.20468  81.91309 12.56801 64.73016 16.15930 
17.18293       20.47139 
1 1 1 -16 21 17 o 115.3146 7.033394 137.5048       16.41419  138.8517       
22.98781  136.1038       23.44528  114.9384 9.932750 113.6664 10.25351 
1.272018       14.27564 
1 1 1 -16 21 18 o 31.74461 13.40437 2.211130       14.85049  -14.03716      
19.92356  22.52359       22.27637  29.97120 13.86337 48.08826 17.53599 
-18.11706      22.35406 
1 1 1 -16 21 19 o 41.92455 14.63187 17.76336       15.33969  16.26052       
21.36183  19.36334       22.04132  43.83395 16.91653 45.88063 17.30997 
-2.046684      24.20339 
1 1 1 -16 21 20 o 58.99648 14.11766 39.56850       16.71078  39.74804       
22.82731  39.36118       24.52964  58.26390 17.70289 57.99853 18.46815 
0.2653694      25.58251 
1 1 1 -16 21 21 o 142.2871 8.508057 213.8493       24.50485  191.1195       
29.57642  263.6129       43.76258  132.7938 11.05298 153.1236 14.21653 
-20.32982      18.00772 
1 1 1 -16 21 22 o 153.2218 8.142544 249.0608       25.27961  259.1928       
31.58090  230.9891       42.17692  154.6089 10.10024 140.8685 14.95203 
13.74040       18.04378 
1 1 1 -16 21 23 o 39.62530 15.89938 14.26103       19.53078  9.360065       
32.44858  17.04524       24.45714  43.12551 19.00444 42.93918 17.58399 
0.1863327      25.89142 
1 1 1 -16 22 1  o 135.2570 5.748958 187.8937       15.81249  161.8237       
32.07742  196.2621       18.17405  122.4032 13.09004 138.0511 6.473817 
-15.64793      14.60341 
1 1 1 -16 22 2  o 159.3057 5.251572 260.1215       17.01265  227.4182       
34.19679  270.8777       19.61184  146.3028 11.58910 162.3847 5.939117 
-16.08188      13.02230 
1 1 1 -16 22 3  o 108.0568 6.179643 120.3679       13.52260  120.8814       
21.63400  120.0386       17.32390  107.1012 10.05081 107.4191 7.987862 
-0.3178482     12.83841 
1 1 1 -16 22 4  o 88.06487 7.088573 80.41193       12.58691  72.27436       
20.16652  85.60507       16.11011  81.78654 12.52424 90.39883 8.878184 
-8.612282      15.35183 
1 1 1 -16 22 5  o 34.83055 12.22508 11.53656       10.71551  9.581153       
17.59319  12.68975       13.51067  38.21836 15.17116 37.49710 13.65932 
0.7212563      20.41424 
1 1 1 -16 22 6  o 98.89413 5.828153 100.6275       11.66887  106.2644       
16.47090  94.94733       16.53383  101.0991 8.079075 95.38205 8.617296 
5.717033       11.81225 
1 1 1 -16 22 7  o 53.57013 9.653184 30.69788       10.12905  22.86639       
13.74865  39.99457       14.97966  45.97342 13.68749 60.52314 12.58154 
-14.54972      18.59147 
1 1 1 -16 22 8  o 61.32020 8.873734 39.71594       10.74354  62.58564       
14.64777  13.08817       15.80552  77.06157 9.551951 39.26602 14.68956 
37.79555       17.52207 
1 1 1 -16 22 9  o 211.8108 4.278201 458.1714       18.42725  474.3897       
25.98654  441.7682       26.13423  215.0891 5.941260 207.4861 6.193972 
7.603012       8.582765 
1 1 1 -16 22 10 o 158.2313 4.845747 256.0138       15.59210  285.9106       
22.22528  227.0390       21.87988  166.8261 6.551365 148.4917 7.245886 
18.33447       9.768482 
1 1 1 -16 22 11 o 159.8422 5.505288 261.7000       17.89463  308.4901       
28.21511  230.2148       23.14506  172.8311 8.028020 149.2219 7.653110 
23.60924       11.09140 
1 1 1 -16 22 12 o 35.03728 13.15922 10.08355       12.70823  7.187640       
18.05933  12.92421       17.88621  37.28080 15.17035 40.43533 15.51194 
-3.154526      21.69700 
1 1 1 -16 22 13 o 90.63581 9.025342 86.02837       16.41347  80.26459       
29.74334  88.55212       19.68155  84.15492 17.92913 91.41104 10.79630 
-7.256119      20.92878 
1 1 1 -16 22 14 o 82.81789 8.203168 71.59995       13.63350  96.71078       
18.89819  44.34809       19.68737  95.87801 9.831891 62.94527 15.48662 
32.93275       18.34398 
1 1 1 -16 22 15 o 79.10419 9.876281 66.17458       15.54094  77.12192       
18.99519  44.01125       27.02758  85.02505 11.26340 62.36639 19.32013 
22.65865       22.36362 
1 1 1 -16 22 16 o 123.9543 6.552829 158.4652       16.45873  148.6869       
22.99303  168.7405       23.57001  119.1019 9.574402 127.0727 9.183120 
-7.970787      13.26646 
1 1 1 -16 22 17 o 85.26332 8.869573 76.34871       15.15349  79.76643       
21.86538  73.19011       21.02016  85.70590 12.94947 81.99142 13.04409 
3.714485       18.38035 
1 1 1 -16 22 18 o 29.05496 12.75808 -2.342991      14.50607  -1.386663      
19.85529  -3.437816      21.24443  34.39537 15.01887 34.72591 15.33626 
-0.3305435     21.46549 
1 1 1 -16 22 19 o 95.08804 8.737206 95.23340       16.70569  90.98996       
23.27506  99.74232       23.99209  91.11179 12.92446 95.59303 12.65311 
-4.481239      18.08709 
1 1 1 -16 22 20 o 80.87421 10.79549 70.90617       17.31105  76.95420       
24.70513  65.07226       24.26387  81.86877 15.40478 74.55361 16.44587 
7.315163       22.53384 
1 1 1 -16 22 21 o 152.9494 10.30882 252.4509       31.87627  240.3539       
46.63640  263.0576       43.66942  143.2770 16.29647 152.2286 14.27351 
-8.951599      21.66352 
1 1 1 -16 22 22 o 128.5150 8.963081 177.6716       23.27740  147.5732       
28.67049  235.8828       39.87191  114.1252 12.56184 142.9372 13.89289 
-28.81202      18.72998 
1 1 1 -16 22 23 o 36.46153 15.43197 8.160130       19.75657  29.85317       
32.57036  -4.468051      24.85036  49.90159 20.34710 34.78294 15.86358 
15.11865       25.80034 
1 1 1 -16 23 1  o 156.7816 5.385396 252.2505       17.16976  218.6234       
34.47686  263.3410       19.79971  142.9561 11.96986 159.9870 6.085869 
-17.03088      13.42816 
1 1 1 -16 23 2  o 127.8788 5.944139 168.0789       15.45749  226.6379       
33.25072  151.9348       17.45868  146.0823 11.28053 121.1005 7.120810 
24.98175       13.34002 
1 1 1 -16 23 3  o 121.2290 5.250332 150.6458       12.94329  142.3675       
17.82796  159.8727       18.82160  117.1246 7.525005 124.1543 7.489991 
-7.029755      10.61723 
1 1 1 -16 23 4  o 124.7329 5.577098 159.5901       14.14623  137.8174       
22.94444  172.9417       17.96755  114.4255 9.959928 129.3835 6.853447 
-14.95800      12.09007 
1 1 1 -16 23 5  o 218.6716 4.667892 489.0980       20.75700  475.0571       
33.24679  498.0669       26.57203  214.4496 7.623827 220.2651 5.932362 
-5.815460      9.660003 
1 1 1 -16 23 6  o 115.9057 5.794693 137.8172       13.65798  150.9882       
21.14438  128.3872       17.89125  120.3571 8.697723 111.1618 7.967531 
9.195358       11.79542 
1 1 1 -16 23 7  f 130.4785 5.487612 174.4617       14.56041  165.4892       
21.60424  181.9290       19.70907  126.1327 8.472036 132.6416 7.335431 
-6.508904      11.20642 
1 1 1 -16 23 8  o 113.1072 5.964308 131.6234       13.66985  146.4372       
20.87152  120.4953       18.08971  118.5530 8.718627 107.5985 8.332469 
10.95450       12.06004 
1 1 1 -16 23 9  f 114.5139 6.116583 134.9814       14.19202  146.4683       
21.22813  125.6980       19.08377  118.5222 8.872021 109.8306 8.613618 
8.691612       12.36556 
1 1 1 -16 23 10 o 130.3120 5.826809 174.1622       15.44069  168.8813       
23.19101  178.3674       20.69449  127.2585 9.019957 131.2110 7.790850 
-3.952492      11.91877 
1 1 1 -16 23 11 o 73.32996 8.980320 56.58797       13.11150  48.30025       
19.09286  63.98445       18.03706  65.95655 14.61916 77.13702 11.88009 
-11.18047      18.83764 
1 1 1 -16 23 12 o 188.1804 4.700105 362.1377       17.98595  350.0347       
24.89397  375.3553       26.01498  184.4832 6.635690 191.0189 6.697240 
-6.535721      9.427906 
1 1 1 -16 23 13 o 133.0530 6.949702 182.7867       18.73840  164.0694       
34.02437  190.9354       22.44979  123.2943 13.80753 135.6009 8.179676 
-12.30655      16.04852 
1 1 1 -16 23 14 o 160.9565 5.327451 265.4346       17.43731  280.2509       
24.40810  249.9903       24.92003  164.8440 7.281309 155.2998 7.917177 
9.544235       10.75635 
1 1 1 -16 23 15 o 47.70103 14.41868 24.81272       15.17183  14.30487       
18.44917  46.76394       26.66547  41.47732 15.79146 63.90756 19.06997 
-22.43024      24.75953 
1 1 1 -16 23 16 o 79.63976 9.368952 66.94727       14.88293  71.62939       
20.60580  61.84086       21.51919  81.15068 12.91982 74.59426 14.70903 
6.556419       19.57747 
1 1 1 -16 23 17 o 71.70876 10.72866 55.19405       15.16404  83.95493       
21.18983  25.00375       21.71001  88.17120 12.14006 49.28305 17.39197 
38.88814       21.20994 
1 1 1 -16 23 18 o 111.7004 7.673512 130.0162       17.32439  150.2412       
24.56494  110.0023       24.43635  119.0216 10.24932 100.8522 12.16045 
18.16936       15.90361 
1 1 1 -16 23 19 o 54.23109 14.05228 33.42874       15.62305  38.75215       
22.08106  28.09250       22.10764  57.61674 17.38991 50.63936 17.57167 
6.977375       24.72190 
1 1 1 -16 23 20 o 136.5396 7.169553 194.7228       19.83718  207.2761       
28.68696  183.2193       27.46119  139.0190 10.21913 130.5204 10.43362 
8.498627       14.60449 
1 1 1 -16 23 21 o 105.7578 10.90153 122.7508       23.10894  198.1264       
44.25911  94.50055       27.09561  127.9096 17.47263 89.48378 15.44870 
38.42587       23.32285 
1 1 1 -16 23 22 o 84.28602 11.35989 79.99620       18.97473  62.68840       
26.15927  99.21342       27.56449  69.19923 18.30676 90.47340 15.54229 
-21.27417      24.01458 
1 1 1 -16 24 1  o 57.34116 11.59005 36.05759       13.04979  40.47224       
28.22420  34.85722       14.71740  59.54071 19.87127 55.90191 13.16409 
3.638798       23.83612 
1 1 1 -16 24 2  o 140.6118 5.565684 203.0487       15.91445  163.5803       
32.65115  215.3467       18.22598  122.7854 13.28878 144.6354 6.196764 
-21.84991      14.66259 
1 1 1 -16 24 3  o 131.6331 6.095795 178.2188       16.31725  171.2772       
30.70172  180.9514       19.26310  126.4446 12.08745 132.1556 7.194954 
-5.711052      14.06676 
1 1 1 -16 24 4  o 141.4662 4.795753 204.8899       13.79625  213.8135       
19.80211  196.4727       19.23207  144.0264 6.761109 138.0373 6.851380 
5.989105       9.625695 
1 1 1 -16 24 5  o 63.07870 9.277971 42.27935       11.54555  34.85836       
18.80598  46.76834       14.62646  55.71643 15.84554 65.76586 11.34669 
-10.04943      19.48919 
1 1 1 -16 24 6  o 64.10132 8.568665 43.35009       10.88989  23.15031       
16.55362  58.76181       14.45923  46.63461 15.20170 74.43193 9.790427 
-27.79733      18.08159 
1 1 1 -16 24 7  o 153.0949 5.146124 240.0623       16.02110  243.6562       
24.45099  237.3585       21.20802  153.2990 7.869953 151.7976 6.870430 
1.501343       10.44696 
1 1 1 -16 24 8  o 166.3507 5.031467 283.3156       17.02044  304.6547       
26.62218  268.5633       22.13523  171.7378 7.623007 161.5211 6.739121 
10.21664       10.17477 
1 1 1 -16 24 9  o 50.01976 11.50278 27.34263       11.45608  11.86539       
16.18106  42.89771       16.22170  38.57926 14.76489 62.42858 13.19107 
-23.84932      19.79915 
1 1 1 -16 24 10 o 118.1889 6.359177 143.9914       15.22750  113.5052       
22.87095  168.2666       20.40866  103.4270 11.04505 127.3280 7.921304 
-23.90101      13.59192 
1 1 1 -16 24 11 o 153.5814 5.074224 241.5169       15.84746  248.9857       
21.69157  232.9669       23.20866  155.4884 6.860276 149.9923 7.634261 
5.496078       10.26379 
1 1 1 -16 24 12 o 188.6008 4.718258 363.8918       18.09575  354.8193       
24.82274  374.1818       26.43589  185.7015 6.573292 190.6151 6.820013 
-4.913589      9.472103 
1 1 1 -16 24 13 o 62.94064 10.33767 42.46324       12.77188  41.49461       
17.24227  43.64084       19.01139  61.06788 14.15990 62.37760 15.14048 
-1.309715      20.73010 
1 1 1 -16 24 14 o 37.85965 13.69979 13.24473       13.55818  -10.42586      
18.80759  38.85508       19.56305  30.15230 13.77069 58.71487 15.96427 
-28.56257      21.08292 
1 1 1 -16 24 15 o 176.5112 5.205808 319.2885       18.68581  353.4489       
26.96149  287.7145       25.92068  185.0666 7.164146 166.8035 7.641696 
18.26312       10.47476 
1 1 1 -16 24 16 o 152.5949 5.788258 239.1945       17.96136  274.8755       
25.45776  203.8288       25.34502  162.9494 7.682737 139.6013 8.975523 
23.34805       11.81459 
1 1 1 -16 24 17 o 47.73446 14.14208 25.24177       14.70389  23.36291       
20.14910  27.38222       21.50606  47.57114 16.75860 50.53581 17.34255 
-2.964664      24.11669 
1 1 1 -16 24 18 o 56.31797 13.37407 35.66883       15.08857  29.30375       
20.77004  42.78171       21.95624  51.32837 17.04246 60.59280 17.08275 
-9.264435      24.13019 
1 1 1 -16 24 19 o 74.40389 11.65390 60.79389       17.05378  105.7668       
24.43602  18.09045       23.81148  98.02811 12.54610 45.28458 17.75245 
52.74353       21.73831 
1 1 1 -16 24 20 f 51.72297 16.43376 31.55772       19.43128  53.34270       
24.03292  -9.568181      33.02066  65.98254 17.59054 39.65352 18.16125 
26.32902       25.28355 
1 1 1 -16 24 21 o 130.3768 9.085940 182.9085       23.93856  150.6665       
43.81561  196.6277       28.58137  106.6616 20.94833 133.9082 10.58224 
-27.24666      23.46947 
1 1 1 -16 24 22 o 26.71993 12.66586 -16.06401      18.43517  19.74419       
30.30478  -37.09961      23.22723  45.57955 19.19199 26.01474 12.77025 
19.56481       23.05237 
1 1 1 -16 25 1  o 186.6884 4.911236 357.4228       18.64488  321.0672       
38.40067  368.6371       21.32752  173.7352 10.92488 189.3750 5.538171 
-15.63980      12.24845 
1 1 1 -16 25 2  o 68.27769 9.357715 49.62808       12.65088  71.82901       
26.12746  42.82910       14.45884  79.14009 16.75674 62.53495 11.80267 
16.60514       20.49613 
1 1 1 -16 25 3  o 118.1037 6.040064 143.8853       14.45777  131.4821       
30.06635  147.6159       16.48931  109.6467 13.78946 119.3960 6.819723 
-9.749252      15.38369 
1 1 1 -16 25 4  f 35.61367 11.88006 12.91790       10.08846  12.24447       
14.96698  13.47863       13.65728  37.86842 14.26945 37.97509 13.74851 
-0.1066704     19.81511 
1 1 1 -16 25 5  o 48.22930 10.79156 25.40064       10.31944  24.03957       
14.81340  26.68392       14.38387  46.86012 14.26591 49.06121 13.82487 
-2.201092      19.86563 
1 1 1 -16 25 6  o 33.88914 11.96189 10.90268       10.27031  -10.68399      
14.11206  35.21068       14.97518  25.16313 11.64929 56.31586 13.29050 
-31.15273      17.67324 
1 1 1 -16 25 7  o 124.9720 5.119701 160.0255       13.01094  175.1089       
18.11298  143.9458       18.70163  130.1575 6.867669 117.6689 7.860911 
12.48866       10.43833 
1 1 1 -16 25 8  o 120.4033 5.701205 148.7934       13.95907  150.8700       
20.75598  147.0785       18.86187  120.2589 8.542979 118.9685 7.840482 
1.290398       11.59550 
1 1 1 -16 25 9  o 48.07113 11.29587 25.28385       10.85515  22.35998       
14.27974  29.28646       16.70758  45.45658 14.03687 51.39254 15.03317 
-5.935951      20.56769 
1 1 1 -16 25 10 o 180.3414 6.776917 335.0644       24.85302  0.000000       
0.000000  335.0644       24.85302  ?        ?        180.3414 6.776917 
0.000000       6.776917 
1 1 1 -16 25 11 o 139.7686 5.289515 200.2375       15.03408  210.3426       
20.49005  188.4533       22.12699  142.8054 7.055811 134.6313 8.120111 
8.174042       10.75735 
1 1 1 -16 25 12 f 83.85146 7.678717 73.29250       12.94794  75.20128       
17.28272  70.85052       19.54815  84.13628 10.31752 80.93185 12.26185 
3.204430       16.02511 
1 1 1 -16 25 13 o 42.16885 12.81883 19.16650       11.96700  52.88139       
16.33833  -19.85565      17.57731  69.80850 11.93829 25.96146 12.32409 
43.84704       17.15826 
1 1 1 -16 25 14 o 115.4735 8.045522 138.8327       18.77439  185.6209       
36.13995  121.5388       21.97182  130.8406 13.79063 107.2356 10.19851 
23.60499       17.15200 
1 1 1 -16 25 15 o 39.70489 13.53582 15.99373       13.09876  7.652755       
17.86883  25.68197       19.25797  37.11846 15.09561 49.00374 16.41392 
-11.88528      22.30009 
1 1 1 -16 25 16 o 95.65514 9.324934 96.53185       17.90801  105.3838       
21.82710  78.30251       31.32300  99.30630 10.99295 81.52271 19.20955 
17.78360       22.13260 
1 1 1 -16 25 17 o 114.5489 7.267125 136.4946       16.84031  133.6558       
23.25489  139.6248       24.41936  112.0790 10.31915 114.4285 10.61505 
-2.349480      14.80419 
1 1 1 -16 25 18 o 44.33769 14.70750 21.33345       15.46991  24.30745       
21.24303  17.97541       22.57301  47.97738 17.17457 44.85339 17.36716 
3.123993       24.42508 
1 1 1 -16 25 19 o 118.3172 7.557979 146.8281       18.08970  158.1342       
25.86910  136.0092       25.30561  121.0508 10.61624 111.7868 11.28658 
9.263985       15.49489 
1 1 1 -16 25 20 o 88.07095 11.37908 85.93616       19.90279  68.56355       
24.28564  121.4688       34.73210  75.36222 16.31947 99.60802 17.80013 
-24.24580      24.14891 
1 1 1 -16 25 21 o 54.78088 17.06146 38.11149       21.04564  44.67026       
41.01500  35.76744       24.51967  57.24822 23.01576 52.89480 18.49686 
4.353424       29.52726 
1 1 1 -16 25 22 o 32.94242 14.48247 2.078455       18.74188  -8.170601      
31.24163  7.840575       23.42518  36.96612 17.18904 37.94135 16.44232 
-0.9752274     23.78682 
1 1 1 -16 26 1  o 48.93479 12.31742 26.70890       12.24829  9.684045       
27.98265  30.74372       13.62258  44.04381 18.48821 52.37116 12.88059 
-8.327351      22.53272 
1 1 1 -16 26 2  o 97.88160 7.036023 99.63430       13.91146  46.42179       
30.20056  113.9662       15.67330  62.75864 20.53670 104.5916 7.417163 
-41.83298      21.83508 
1 1 1 -16 26 3  o 142.4054 5.524277 208.3735       15.99755  198.4407       
34.92023  211.0118       17.99718  135.3885 12.83707 143.1147 6.183987 
-7.726196      14.24893 
1 1 1 -16 26 4  o 47.17860 11.28590 24.48896       10.68217  33.44589       
15.32730  16.02940       14.89568  54.61012 13.79703 40.45466 14.39223 
14.15546       19.93725 
1 1 1 -16 26 5  o 72.19452 7.537445 54.52694       10.90256  58.06735       
15.64425  51.18371       15.20234  73.49961 10.78795 68.75636 11.26301 
4.743248       15.59600 
1 1 1 -16 26 6  o 68.45937 7.707482 49.12978       10.54329  47.14894       
14.57348  51.30505       15.27196  65.95812 11.27013 68.85604 11.29893 
-2.897919      15.95875 
1 1 1 -16 26 7  o 92.28918 6.187887 88.01736       11.54577  93.14057       
15.89565  82.29593       16.79808  94.33401 8.373302 88.25895 9.509590 
6.075066       12.67062 
1 1 1 -16 26 8  o 63.80506 8.279710 42.92563       10.48965  39.72654       
14.16090  46.81525       15.61461  60.23634 11.98228 65.44735 12.18068 
-5.211014      17.08637 
1 1 1 -16 26 9  o 168.7200 4.651948 291.3564       15.96073  314.7070       
22.15734  266.1726       23.01060  174.8942 6.230041 160.5802 7.046678 
14.31393       9.405800 
1 1 1 -16 26 10 o 132.9058 5.331664 181.1614       14.40981  180.7312       
19.21108  181.7147       21.78850  132.1011 7.178395 132.1153 8.149825 
-0.1420593E-01 10.86043 
1 1 1 -16 26 11 o 74.17102 8.286673 57.77089       12.28510  49.35359       
16.34028  68.71474       18.63193  67.16846 12.42056 79.76070 11.84724 
-12.59224      17.16471 
1 1 1 -16 26 12 o 104.3849 6.582761 112.6916       13.90167  129.3365       
18.84361  92.81367       20.59246  111.2911 8.387959 93.21914 11.08006 
18.07199       13.89696 
1 1 1 -16 26 13 o 116.9286 6.181337 141.0450       14.64566  141.6755       
20.13218  140.3362       21.34519  116.4286 8.563242 115.6533 9.150643 
0.7753067      12.53249 
1 1 1 -16 26 14 o 162.1410 6.594578 271.0161       21.74359  249.6421       
41.66990  279.0134       25.48880  151.7407 13.65029 164.1331 7.636632 
-12.39243      15.64125 
1 1 1 -16 26 15 o 77.07959 9.255913 62.94270       14.21797  74.87299       
19.38661  49.05752       20.91472  83.19608 11.78887 65.55769 15.86059 
17.63839       19.76198 
1 1 1 -16 26 16 o 55.92805 14.47669 35.43494       16.59250  56.95087       
20.40767  -6.528131      28.50014  71.07488 14.60799 38.83152 17.41620 
32.24336       22.73142 
1 1 1 -16 26 17 o 49.70176 14.26089 27.93743       15.16553  33.39285       
21.15664  22.17157       21.75027  53.96118 17.14816 46.95522 17.29649 
7.005966       24.35627 
1 1 1 -16 26 18 o 102.1783 8.321344 110.1694       17.14015  83.99692       
23.22496  141.4748       25.40055  86.48675 13.65895 114.3546 11.06107 
-27.86787      17.57596 
1 1 1 -16 26 19 o 72.90229 11.66347 59.10733       16.70812  76.32987       
24.36432  43.81800       22.95620  80.69617 15.40940 59.76534 17.66132 
20.93083       23.43868 
1 1 1 -16 26 20 f 67.44241 15.27044 54.88437       20.45590  46.18116       
25.14504  71.91577       35.17529  59.75773 18.65543 71.52932 22.02125 
-11.77159      28.86106 
1 1 1 -16 26 21 o 86.75902 12.78248 87.55758       21.87602  85.79966       
42.31960  88.19860       25.55517  72.87978 24.33239 84.80566 15.38503 
-11.92588      28.78827 
1 1 1 -16 27 1  o 196.7508 4.769476 397.2829       19.08265  391.1421       
41.14361  398.9659       21.53952  191.5005 10.60667 196.9191 5.378941 
-5.418594      11.89262 
1 1 1 -16 27 2  o 124.8735 5.917500 160.6872       15.02657  177.3210       
33.36142  156.4538       16.83049  127.4054 13.06135 122.7907 6.766425 
4.614624       14.70998 
1 1 1 -16 27 3  o 29.60042 12.11427 4.133230       11.59937  -15.42190      
26.89609  8.601315       12.85640  35.06654 16.18060 33.73162 13.09389 
1.334911       20.81494 
1 1 1 -16 27 4  o 193.1032 4.413478 381.7612       17.33093  375.1599       
24.49530  388.3781       24.52399  190.7418 6.315176 194.1166 6.212653 
-3.374786      8.858809 
1 1 1 -16 27 5  o 57.83901 9.491878 35.89762       10.77673  48.08569       
15.23031  23.67658       15.25090  66.36191 11.71423 46.46137 14.53267 
19.90054       18.66606 
1 1 1 -16 27 6  o 82.80402 6.922024 71.31149       11.54874  76.07346       
15.84052  65.90846       16.87310  84.78990 9.342042 78.30132 10.89175 
6.488579       14.34935 
1 1 1 -16 27 7  o 190.9941 4.403911 373.2914       17.10448  385.6497       
23.97097  360.4722       24.41390  193.5661 6.089827 187.0144 6.419640 
6.551666       8.848602 
1 1 1 -16 27 8  o 114.6891 5.443557 135.0392       12.69569  135.6014       
17.12589  134.3534       18.91612  114.2332 7.412462 113.4108 8.258866 
0.8223724      11.09745 
1 1 1 -16 27 9  o 58.76492 9.680942 37.03834       11.16583  39.78514       
14.71397  33.30887       17.14511  60.06710 12.45470 54.37122 15.01264 
5.695877       19.50639 
1 1 1 -16 27 10 o 96.44148 6.499912 96.27739       12.67309  69.40086       
16.38018  136.3558       20.00263  80.69334 10.21077 114.1133 8.685051 
-33.41991      13.40485 
1 1 1 -16 27 11 o 109.9562 6.082326 124.7671       13.54721  142.7324       
18.67360  104.8059       19.68356  117.0590 7.890654 99.53595 9.854070 
17.52309       12.62399 
1 1 1 -16 27 12 o 158.3153 5.154719 257.0446       16.59508  270.3495       
23.00141  242.6001       23.96627  161.7793 6.991660 152.7993 7.738314 
8.979950       10.42904 
1 1 1 -16 27 13 o 80.43922 8.198489 67.89881       13.22329  76.74194       
18.12280  57.83068       19.33734  84.66749 10.76959 72.21298 13.66887 
12.45451       17.40178 
1 1 1 -16 27 14 o 53.06008 14.76370 31.74624       16.51247  99.02081       
33.10040  9.457346       19.05250  92.35106 18.27245 38.77314 15.65192 
53.57792       24.05962 
1 1 1 -16 27 15 o 69.30730 10.60690 51.84217       14.47363  49.32839       
20.04037  54.58303       20.92595  65.75798 15.27814 69.24224 15.27173 
-3.484261      21.60202 
1 1 1 -16 27 16 o 113.0272 8.216823 133.9988       18.75673  151.8943       
23.07158  99.11510       32.21189  119.7452 9.554290 92.00610 17.86068 
27.73907       20.25558 
1 1 1 -16 27 17 o 59.79721 12.75464 40.21585       15.03648  50.85365       
21.10609  29.25197       21.42713  65.94680 15.91958 50.93465 17.31241 
15.01215       23.51920 
1 1 1 -16 27 18 o 83.00272 9.720819 74.25536       16.09691  71.63427       
22.25423  77.13143       23.31150  78.99172 14.38408 81.94706 14.52051 
-2.955338      20.43886 
1 1 1 -16 27 19 o 110.0102 8.150192 128.6084       18.10305  128.0816       
25.48555  129.1450       25.71921  107.2576 11.88437 107.6555 11.94978 
-0.3978653     16.85336 
1 1 1 -16 27 20 o 34.06548 14.30162 6.449768       16.74821  27.05907       
23.97788  -13.18426      23.40366  47.85515 18.05452 31.58450 14.75014 
16.27066       23.31378 
1 1 1 -16 27 21 o 38.49191 15.83345 12.95875       19.94077  -9.992168      
40.27327  20.41285       22.95168  40.37051 19.01019 43.21059 17.27178 
-2.840088      25.68466 
1 1 1 -16 28 1  o 49.69016 12.24810 27.77179       12.29716  37.51596       
28.40694  25.52466       13.64160  56.70326 19.90463 47.47646 13.49331 
9.226803       24.04712 
1 1 1 -16 28 2  o 148.4149 5.276659 226.5532       15.92531  172.5757       
31.85369  244.5411       18.38838  125.6747 12.63531 153.9845 5.872392 
-28.30979      13.93327 
1 1 1 -16 28 3  o 230.8759 4.620746 546.5227       21.69412  545.3154       
46.46008  546.8593       24.53286  227.1134 10.05971 230.6774 5.229880 
-3.563919      11.33797 
1 1 1 -16 28 4  o 116.5299 6.717491 140.8597       15.85081  125.8008       
32.31353  145.6314       18.18956  105.7450 15.48595 118.1656 7.610190 
-12.42059      17.25484 
1 1 1 -16 28 5  o 167.1465 4.562418 286.2293       15.50757  293.0597       
21.71727  279.1231       22.15121  168.5380 6.336596 164.3701 6.627096 
4.167908       9.169016 
1 1 1 -16 28 6  o 139.4884 4.863817 199.5076       13.79643  195.7095       
18.89276  203.8471       20.19442  137.6201 6.750908 140.1604 7.108505 
-2.540359      9.803347 
1 1 1 -16 28 7  o 87.92030 6.630254 80.24147       11.76694  94.29369       
16.49267  65.67223       16.79334  94.69565 8.660542 78.10979 10.86695 
16.58585       13.89588 
1 1 1 -16 28 8  o 32.88385 11.97699 9.790770       10.38701  -1.561823      
13.42568  26.71789       16.39383  28.24783 12.34185 49.02983 15.02352 
-20.78200      19.44292 
1 1 1 -16 28 9  o 59.78210 9.131381 38.15411       10.74876  29.26794       
14.24920  49.88700       16.37328  51.14579 13.50188 67.37018 12.40854 
-16.22439      18.33774 
1 1 1 -16 28 10 o 196.0145 4.540270 393.4180       18.09761  397.1988       
25.10742  389.3293       26.10977  196.3228 6.288978 194.2321 6.610444 
2.090637       9.124101 
1 1 1 -16 28 11 o 126.9568 5.596436 165.6452       14.44837  172.6019       
19.76123  157.6550       21.17846  128.8165 7.577184 122.7192 8.539745 
6.097321       11.41670 
1 1 1 -16 28 12 o 33.03538 12.49989 8.970817       11.51477  16.32191       
15.14748  -1.092373      17.72279  40.74092 14.51130 32.59238 14.21164 
8.148540       20.31130 
1 1 1 -16 28 13 o 66.00105 9.851730 46.71090       12.81767  32.45345       
17.30634  64.03413       19.07651  53.50999 15.19458 76.32990 12.73901 
-22.81990      19.82820 
1 1 1 -16 28 14 o 191.9111 5.012084 377.9763       19.56005  383.7025       
27.36158  371.9914       27.97270  192.5188 6.989027 189.4234 7.261884 
3.095352       10.07876 
1 1 1 -16 28 15 o 76.41268 9.799060 62.50985       14.87573  65.60941       
20.47091  59.04173       21.65380  76.63138 13.63627 71.81724 15.29563 
4.814140       20.49156 
1 1 1 -16 28 16 o 59.60740 13.96876 40.56427       16.63647  41.93620       
20.14667  37.62341       29.49676  59.80756 16.17535 57.01074 20.25594 
2.796818       25.92190 
1 1 1 -16 28 17 o 87.80257 9.292374 82.50058       16.33936  108.0109       
22.91169  56.09991       23.30809  99.31506 11.56098 68.43301 16.85902 
30.88206       20.44218 
1 1 1 -16 28 18 o 109.2476 7.732569 126.0461       17.06758  150.8600       
24.18389  101.4229       24.09080  118.0121 10.17690 94.92442 12.80715 
23.08773       16.35825 
1 1 1 -16 28 19 o 84.08585 11.97871 79.99805       19.90353  84.15029       
24.72882  72.36020       33.53875  83.96864 15.03429 72.06064 21.36064 
11.90800       26.12100 
1 1 1 -16 28 20 o 76.06495 11.83461 66.55868       17.71071  72.02601       
25.76529  61.66140       24.38511  74.44870 17.34129 68.57864 17.44454 
5.870056       24.59740 
1 1 1 -16 28 21 o 42.87129 15.92599 22.31104       18.51420  23.12100       
31.24038  21.87257       22.98560  45.57094 19.35294 43.38568 17.30353 
2.185253       25.96052 
1 1 1 -16 29 1  o 110.7366 6.197839 127.4113       13.90067  104.3332       
28.54786  134.5836       15.91479  95.19923 15.26212 113.5203 6.927224 
-18.32108      16.76063 
1 1 1 -16 29 2  o 49.27097 12.33433 27.34673       12.32982  14.98854       
28.83478  30.11195       13.63968  46.03766 19.00040 51.52167 13.01453 
-5.484005      23.03027 
1 1 1 -16 29 3  o 41.04812 13.35794 18.18725       12.78370  -9.984355      
28.46516  25.30473       14.30774  37.40046 17.02667 47.37468 13.92704 
-9.974216      21.99704 
1 1 1 -16 29 4  o 137.4662 5.591977 194.5720       15.63194  227.9024       
33.16355  185.0514       17.72446  145.6341 11.28629 133.7618 6.516126 
11.87231       13.03228 
1 1 1 -16 29 5  o 108.6079 5.815987 121.8531       12.79843  114.6019       
17.55117  130.0874       18.70313  104.4524 8.332303 111.3287 8.321611 
-6.876305      11.77610 
1 1 1 -16 29 6  o 54.13854 10.24638 31.89840       10.86738  32.46049       
15.02108  31.28107       15.74185  53.61539 13.72027 52.53848 14.33534 
1.076908       19.84308 
1 1 1 -16 29 7  o 48.51075 11.22352 25.97573       10.85197  20.00814       
14.49257  33.59229       16.37290  43.21830 14.23050 54.39638 14.52728 
-11.17808      20.33591 
1 1 1 -16 29 8  o 25.89375 11.01549 0.7948307      10.15308  9.953969       
13.19493  -12.49938      15.89685  34.92922 13.34136 26.32907 12.24904 
8.600149       18.11162 
1 1 1 -16 29 9  o 80.77100 7.353542 68.16721       11.94595  53.30178       
15.68767  88.68400       18.42997  69.97808 11.41796 91.20970 10.10635 
-21.23162      15.24821 
1 1 1 -16 29 10 o 165.7760 4.780542 281.7581       16.11574  287.6175       
21.91887  274.8634       23.77651  166.9220 6.457330 162.8913 7.177920 
4.030716       9.655032 
1 1 1 -16 29 11 o 76.39706 8.040375 61.37189       12.30371  55.91324       
16.40414  68.39172       18.60262  71.59863 11.66865 79.23338 11.91433 
-7.634758      16.67659 
1 1 1 -16 29 12 o 126.6698 5.680877 165.1161       14.63322  166.9542       
20.15467  163.0669       21.28015  126.4511 7.877051 124.7233 8.439942 
1.727783       11.54472 
1 1 1 -16 29 13 o 49.87758 15.54616 27.96106       17.46960  27.96106       
17.46960  0.000000       0.000000  49.87758 15.54616 ?        ?        
0.000000       15.54616 
1 1 1 -16 29 14 o 94.67051 7.643468 93.85831       14.58941  83.33179       
19.82520  106.2930       21.54729  87.62561 11.39558 99.38950 10.83669 
-11.76389      15.72555 
1 1 1 -16 29 15 o 83.19945 11.14470 75.30039       18.38177  58.28481       
34.66807  81.95490       21.68023  67.89887 21.99093 86.00911 12.78449 
-18.11024      25.43707 
1 1 1 -16 29 16 o 83.39034 9.480141 74.60881       15.79042  83.47448       
22.38274  65.82462       22.27965  86.30026 13.17145 75.40400 15.05706 
10.89626       20.00505 
1 1 1 -16 29 17 o 110.0271 7.705077 127.6759       17.13083  126.9615       
23.45194  128.4931       25.08359  107.8671 10.83811 107.9949 11.60380 
-0.1277313     15.87806 
1 1 1 -16 29 18 o 43.04115 14.75691 20.96325       15.56958  16.65506       
20.78076  26.47646       23.50803  41.97660 16.54353 48.14986 17.93412 
-6.173252      24.39920 
1 1 1 -16 29 19 o 110.8639 9.265808 133.9606       20.69785  141.0683       
25.64435  120.6774       35.05736  111.8832 11.43192 96.23780 18.58649 
15.64537       21.82078 
1 1 1 -16 29 20 o 68.09779 12.89058 55.36287       17.19708  98.86922       
26.08548  21.91829       22.87101  89.47375 14.85797 43.71321 17.31500 
45.76055       22.81597 
1 1 1 -16 30 1  o 88.27430 7.556189 82.23773       13.43330  83.47995       
30.73257  81.94434       14.93565  81.80438 18.86041 87.70649 8.479976 
-5.902107      20.67910 
1 1 1 -16 30 2  o 104.2885 6.730161 113.5139       14.19675  134.6114       
32.66315  108.6000       15.76359  108.2689 15.25870 101.5998 7.686644 
6.669182       17.08545 
1 1 1 -16 30 3  o 96.36959 7.146953 97.15382       13.90615  115.4499       
29.68442  92.00961       15.74017  100.7201 14.94652 93.27832 8.387759 
7.441734       17.13923 
1 1 1 -16 30 4  o 50.40635 12.23598 28.53920       12.41595  41.02881       
26.12499  24.89519       14.11144  58.66557 19.09610 46.95763 13.83878 
11.70794       23.58332 
1 1 1 -16 30 5  o 97.48988 6.060570 98.49371       11.95554  106.7662       
16.74555  89.89294       17.07462  100.7286 8.247439 91.96573 9.255814 
8.762909       12.39719 
1 1 1 -16 30 6  o 196.6459 4.359911 396.2428       17.43468  401.8268       
24.28763  390.3064       25.04241  197.3206 6.052869 194.3334 6.336905 
2.987183       8.763195 
1 1 1 -16 30 7  o 56.13826 9.867653 34.15434       10.85366  36.26685       
14.73442  31.64826       16.04842  56.80086 13.03294 52.70817 14.51271 
4.092693       19.50580 
1 1 1 -16 30 8  o 46.93232 11.28274 24.40023       10.63523  13.30535       
14.21737  38.49640       16.02539  37.88454 13.97932 58.33236 13.73673 
-20.44782      19.59896 
1 1 1 -16 30 9  o 119.5532 5.419799 147.0051       13.17637  146.6463       
17.76196  147.4441       19.64900  118.6083 7.401128 118.6036 8.197176 
0.4699707E-02  11.04402 
1 1 1 -16 30 10 o 138.9141 5.221216 198.3141       14.74923  206.7395       
19.84711  187.9218       22.04229  141.2719 6.908602 133.9897 8.128149 
7.282150       10.66750 
1 1 1 -16 30 11 o 100.6473 6.460341 105.1176       13.15252  103.4999       
17.34245  107.3077       20.17910  99.06471 8.696757 100.3031 10.02756 
-1.238342      13.27349 
1 1 1 -16 30 12 o 27.86182 11.84505 1.278253       11.72604  8.194294       
15.99092  -6.766424      17.24642  35.67233 14.36068 29.64451 13.39925 
6.027813       19.64100 
1 1 1 -16 30 13 o 92.13041 7.443339 88.86651       13.82602  100.9134       
19.51741  76.73145       19.58868  97.12056 10.02661 83.74129 11.83266 
13.37927       15.50951 
1 1 1 -16 30 14 o 102.4062 10.83584 113.3129       22.22250  0.000000       
0.000000  113.3129       22.22250  ?        ?        102.4062 10.83584 
0.000000       10.83584 
1 1 1 -16 30 15 o 28.66119 13.08799 -8.130347      16.98203  11.09153       
35.04597  -14.02863      19.41346  47.01818 20.24362 28.93814 13.48732 
18.08005       24.32513 
1 1 1 -16 30 16 o 27.75111 12.43030 -3.961361      14.46759  3.047934       
20.43819  -11.00102      20.48242  35.74790 15.42504 30.62686 14.12787 
5.121042       20.91718 
1 1 1 -16 30 17 o 74.94398 10.56132 61.98824       15.64924  77.47142       
22.37053  47.14994       21.89970  81.71357 13.96425 61.63020 16.94656 
20.08337       21.95874 
1 1 1 -16 30 18 o 70.03883 12.92813 57.13859       17.73473  39.05254       
21.38317  96.99603       31.74351  55.28284 17.19444 86.39771 18.61673 
-31.11486      25.34229 
1 1 1 -16 30 19 o 89.01297 9.739151 87.94794       17.34131  105.7819       
25.40292  72.38423       23.73100  94.14183 13.66888 75.62333 15.93428 
18.51850       20.99380 
1 1 1 -16 30 20 o 21.42118 10.49112 -24.55552      15.39855  -10.90164      
23.38623  -35.00594      20.45968  31.17487 14.61847 23.77525 11.73172 
7.399626       18.74388 
1 1 1 -16 31 1  o 29.38632 12.22672 3.937165       12.07979  9.546518       
25.24037  2.270635       13.75770  40.94517 17.39214 29.93351 12.78044 
11.01167       21.58301 
1 1 1 -16 31 2  o 97.76302 6.911736 100.2052       13.65228  109.2345       
30.41874  97.92771       15.27739  96.17949 16.12340 96.21017 7.877727 
-0.3067780E-01 17.94499 
1 1 1 -16 31 3  o 32.16108 12.85155 7.062243       12.70331  62.68590       
29.89770  -5.192000      14.03302  70.27334 19.97701 26.85315 12.11675 
43.42019       23.36443 
1 1 1 -16 31 4  o 65.85397 10.01274 47.10191       12.98630  3.628773       
29.05308  57.95634       14.51728  41.66728 18.18155 73.17284 10.01946 
-31.50555      20.75954 
1 1 1 -16 31 5  o 42.72205 13.63496 20.13716       13.36479  30.20486       
28.89686  17.39762       15.07387  52.86277 19.84537 41.03246 14.49083 
11.83032       24.57281 
1 1 1 -16 31 6  o 37.96771 14.42775 12.73884       15.38191  12.73884       
15.38191  0.000000       0.000000  37.96771 14.42775 ?        ?        
0.000000       14.42775 
1 1 1 -16 31 7  o 37.74419 12.46311 15.07390       11.11335  14.07493       
15.58104  16.10842       15.85588  39.01324 14.58686 40.54344 14.79309 
-1.530193      20.77527 
1 1 1 -16 31 8  o 63.96585 9.429879 43.99490       11.89813  41.31873       
16.50260  46.89199       17.17025  60.28872 13.76348 64.40813 13.53925 
-4.119411      19.30660 
1 1 1 -16 31 9  o 82.61621 7.144248 71.40230       11.88443  60.42855       
15.41615  87.47737       18.65842  74.76148 10.42377 90.20218 10.36001 
-15.44070      14.69643 
1 1 1 -16 31 10 o 79.00172 7.521240 65.54000       11.93721  66.04487       
15.55147  64.81589       18.62464  78.38923 9.982326 76.57941 12.38241 
1.809822       15.90506 
1 1 1 -16 31 11 o 60.51450 10.14483 39.80728       12.04221  48.01408       
16.00090  29.08693       18.28782  65.63885 12.44298 50.49299 15.93227 
15.14585       20.21547 
1 1 1 -16 31 12 o 37.36941 13.02710 14.21590       12.15772  34.22821       
16.80729  -7.748259      17.60785  54.43370 14.79594 29.49930 13.41486 
24.93440       19.97194 
1 1 1 -16 31 13 o 70.30137 9.598685 53.25911       13.36370  65.50426       
18.69452  40.46282       19.11061  76.76575 12.39808 58.68722 15.70434 
18.07853       20.00846 
1 1 1 -16 31 14 o 47.21019 13.41601 25.47562       13.48659  15.75982       
18.94778  35.45240       19.20057  41.42228 15.94712 54.71667 16.14727 
-13.29439      22.69460 
1 1 1 -16 31 15 o 36.69004 14.84910 9.533782       17.19574  -28.35857      
35.26352  21.35513       19.69623  36.58435 17.39273 44.82199 16.46723 
-8.237637      23.95155 
1 1 1 -16 31 16 o 34.89200 13.76676 9.867455       14.40524  33.13390       
20.75937  -11.74029      20.00570  52.19272 17.02414 29.77793 13.81548 
22.41479       21.92462 
1 1 1 -16 31 17 o 41.72605 15.16556 19.19097       16.64111  9.264019       
20.57581  37.96373       28.29522  37.84293 15.86782 54.19233 19.76329 
-16.34939      25.34512 
1 1 1 -16 31 18 f 42.87785 15.36970 21.63811       17.01820  12.14373       
20.54458  42.39719       30.37860  38.57077 15.98800 55.00000 20.40654 
-16.42923      25.92380 
1 1 1 -16 31 19 o 69.87044 12.27672 57.89165       16.80668  38.57822       
23.83087  77.00335       23.70609  52.48487 18.24186 77.64858 15.55542 
-25.16371      23.97366 
1 1 1 -16 31 20 o 65.77411 14.19664 55.08678       18.43193  66.63702       
30.77358  48.62510       23.01735  64.12630 20.71373 57.89224 17.81202 
6.234066       27.31898 
1 1 1 -16 32 1  o 96.71915 8.325289 100.2919       16.21475  147.1781       
33.23165  85.64153       18.57610  111.3602 15.06116 87.93919 10.60148 
23.42099       18.41820 
1 1 1 -16 32 2  o 115.1464 9.973404 144.0128       23.12250  142.6884       
35.36331  145.0019       30.56029  109.0021 16.46725 112.5531 13.62993 
-3.551010      21.37628 
1 1 1 -16 32 3  o 67.36595 10.42222 49.91658       13.81652  46.64125       
32.21630  50.65478       15.29446  60.16953 21.19147 67.29770 11.59441 
-7.128174      24.15593 
1 1 1 -16 32 4  o 102.5367 6.885286 110.0627       14.27334  134.4585       
33.31975  104.5798       15.79607  107.4392 15.71528 99.50266 7.870865 
7.936501       17.57614 
1 1 1 -16 32 5  o 99.32332 8.857757 105.0223       17.70291  96.84197       
33.38475  108.2223       20.88028  88.59737 19.09292 99.99423 10.42171 
-11.39686      21.75205 
1 1 1 -16 32 6  o 92.60744 7.781689 90.35716       14.51866  100.0802       
17.35943  67.72501       26.48485  96.98658 8.901140 74.85043 17.68159 
22.13615       19.79568 
1 1 1 -16 32 7  o 98.51524 7.439909 101.8158       14.79475  100.0973       
16.93434  107.3566       30.40761  97.14936 8.662786 96.10851 16.13002 
1.040855       18.30905 
1 1 1 -16 32 8  o 27.81387 12.21286 -1.610005      13.29212  -13.47960      
15.15990  37.85263       27.64213  25.02483 11.74585 56.56657 19.64728 
-31.54174      22.89063 
1 1 1 -16 32 9  o 126.7586 5.486144 165.6810       14.14152  171.3947       
19.89815  159.8499       20.10167  127.8590 7.688711 123.2774 8.062992 
4.581604       11.14128 
1 1 1 -16 32 10 o 42.01612 12.22336 19.70567       11.07267  24.49451       
14.49488  12.99540       17.15810  46.48433 14.10284 39.01772 15.13202 
7.466614       20.68497 
1 1 1 -16 32 11 o 122.2510 5.785367 154.4177       14.38251  167.4764       
19.67654  139.4364       21.07530  126.3309 7.695971 114.5029 9.127007 
11.82800       11.93860 
1 1 1 -16 32 12 o 56.02375 11.66303 35.14774       12.85523  50.80374       
17.60364  17.25906       18.81704  66.78326 13.42787 42.28168 15.98382 
24.50157       20.87558 
1 1 1 -16 32 13 o 41.39758 13.41431 18.98983       12.89850  41.14270       
18.01877  -4.291895      18.47215  59.11553 14.97265 31.32277 14.03680 
27.79276       20.52345 
1 1 1 -16 32 14 o 84.64472 8.452244 76.46407       14.35414  118.5387       
20.59263  36.70021       20.01916  104.7761 9.777905 55.08079 16.54318 
49.69531       19.21677 
1 1 1 -16 32 15 o 117.8978 6.859535 145.9349       16.37459  133.0558       
23.18880  158.7441       23.12567  110.2847 10.46512 121.3011 9.449710 
-11.01646      14.10021 
1 1 1 -16 32 16 o 64.49933 11.95172 47.60658       15.09879  53.80449       
21.39870  41.46144       21.30741  65.86463 16.10979 57.18590 17.04274 
8.678730       23.45166 
1 1 1 -16 32 17 o 37.94918 14.92551 13.87773       16.88211  31.87284       
20.37717  -25.50613      30.14573  49.99995 16.88347 32.80405 15.72737 
17.19590       23.07383 
1 1 1 -16 32 18 o 39.13467 15.32069 16.34116       17.71636  9.278315       
21.22488  32.56652       32.17012  37.03568 15.84511 49.42703 20.19539 
-12.39135      25.66946 
1 1 1 -16 32 19 o 93.02683 9.262560 96.92051       17.28929  141.3069       
25.98513  61.66216       23.15958  109.3928 11.87167 66.85912 16.99693 
42.53368       20.73240 
1 1 1 -16 33 1  o 119.6849 6.797964 151.3683       16.47685  125.7479       
34.15614  159.1385       18.81022  99.26427 17.56358 122.1494 7.610525 
-22.88512      19.14157 
1 1 1 -16 33 2  o 44.38302 13.01350 23.06510       12.50675  -32.62636      
30.39267  34.41821       13.72246  32.05930 15.47742 54.26286 12.66646 
-22.20356      19.99974 
1 1 1 -16 33 3  o 42.38980 12.84092 20.64063       12.02366  -16.54421      
27.65519  29.30782       13.35159  33.98791 15.92454 50.10498 12.99430 
-16.11707      20.55341 
1 1 1 -16 33 4  o 49.08458 16.65432 28.37759       19.82874  59.92709       
32.85004  10.29366       24.87059  66.68951 21.38648 41.14331 17.35848 
25.54620       27.54449 
1 1 1 -16 33 5  o 61.89051 15.42044 45.70922       19.33668  38.83704       
31.51504  49.85842       24.48796  56.32336 20.80709 63.17653 18.11984 
-6.853176      27.59100 
1 1 1 -16 33 6  o 54.13932 12.31346 33.35509       13.25034  33.54484       
15.79697  32.90474       24.33690  53.56583 14.25245 52.73775 18.42859 
0.8280754      23.29690 
1 1 1 -16 33 7  o 94.52610 7.815883 94.36865       14.88907  97.16389       
17.47573  86.96677       28.43788  95.29042 9.130285 85.17583 17.01375 
10.11459       19.30880 
1 1 1 -16 33 8  o 58.96081 12.15766 39.21495       14.09262  45.49212       
16.50501  22.32572       27.07318  63.07158 13.28797 47.95694 18.88844 
15.11464       23.09423 
1 1 1 -16 33 9  o 59.99368 12.06505 40.51041       14.20912  45.07889       
16.65113  28.27110       27.25440  62.69965 13.46173 50.91106 19.23868 
11.78859       23.48074 
1 1 1 -16 33 10 o 60.18109 10.49699 39.89186       12.37907  53.85064       
17.09794  24.51380       17.94614  69.08092 12.63692 46.62757 15.84389 
22.45335       20.26624 
1 1 1 -16 33 11 o 83.42484 7.425145 73.39575       12.46487  74.53209       
16.97231  72.06512       18.36604  82.74305 10.31061 80.70683 11.51730 
2.036217       15.45823 
1 1 1 -16 33 12 o 143.2834 5.555126 212.3841       16.18606  213.4241       
22.23507  211.2119       23.60764  142.3208 7.711563 141.2193 8.256621 
1.101547       11.29779 
1 1 1 -16 33 13 o 113.6468 6.500576 135.0502       14.96077  139.7989       
20.72680  129.8849       21.61669  114.2171 8.996629 109.5479 9.807405 
4.669212       13.30881 
1 1 1 -16 33 14 o 87.80749 8.302966 82.51221       14.64979  109.3616       
20.99986  57.05780       20.44706  99.77335 10.50824 69.07169 14.98788 
30.70165       18.30464 
1 1 1 -16 33 15 o 78.81142 9.660464 68.13931       15.15824  73.57481       
21.07435  62.31289       21.81902  79.31835 13.55233 71.46575 15.46281 
7.852600       20.56123 
1 1 1 -16 33 16 o 62.52089 12.03504 45.42168       14.74585  68.52615       
21.43316  24.65686       20.31899  75.14665 14.55149 45.43621 16.72061 
29.71044       22.16584 
1 1 1 -16 33 17 o 89.94717 12.86623 95.94182       22.86319  95.94182       
22.86319  0.000000       0.000000  89.94717 12.86623 ?        ?        
0.000000       12.86623 
1 1 1 -16 33 18 o 87.43946 9.454332 85.88926       16.54322  105.4191       
23.82494  67.70624       22.98875  93.41250 12.88524 71.27333 16.22528 
22.13917       20.71929 
1 1 1 -16 33 19 o 28.66425 12.78152 0.5000072      15.11335  7.338517       
21.96344  -5.650126      20.82868  35.32169 15.59679 30.33578 14.08225 
4.985909       21.01356 
1 1 1 -16 34 1  o 22.96967 10.60300 -6.537479      11.56634  19.66675       
30.35732  -10.98742      12.50993  44.64718 19.02170 22.33087 10.53968 
22.31631       21.74649 
1 1 1 -16 34 2  o 29.46132 12.10332 5.328674       11.63352  -18.80748      
29.35265  9.826584       12.67123  33.77129 16.00076 33.23483 12.97185 
0.5364647      20.59838 
1 1 1 -16 34 3  o 103.7211 8.425712 115.7119       17.61794  127.5258       
34.94602  111.6860       20.40016  100.3600 17.77377 100.7151 10.09660 
-0.3551865     20.44133 
1 1 1 -16 34 4  o 39.69772 12.85991 17.82595       11.85499  -7.223358      
28.14715  23.22773       13.07088  36.55231 16.75070 44.57103 13.36312 
-8.018719      21.42799 
1 1 1 -16 34 5  f 59.68403 10.25014 39.52105       11.99235  53.06295       
29.81301  36.90688       13.09882  63.01749 20.39126 56.95047 11.70188 
6.067020       23.51037 
1 1 1 -16 34 6  o 45.66341 13.90126 24.24013       14.06592  33.53290       
31.92513  22.00169       15.66870  53.35935 20.65574 43.97442 14.80514 
9.384926       25.41361 
1 1 1 -16 34 7  o 73.31295 7.834614 57.21739       11.49933  70.44142       
15.71369  41.96979       16.87318  80.46549 9.806034 59.76250 14.11011 
20.70299       17.18295 
1 1 1 -16 34 8  o 48.03386 11.92276 26.33648       11.59152  46.92376       
15.62303  1.124282       17.28905  64.23475 12.40953 32.40509 14.08436 
31.82966       18.77141 
1 1 1 -16 34 9  o 102.2945 7.472779 110.4145       15.43727  107.5228       
17.92504  118.7171       30.37366  100.1917 8.890203 100.6497 15.32370 
-0.4579697     17.71586 
1 1 1 -16 34 10 o 44.27771 13.85223 22.52202       13.85548  31.43539       
16.11327  -2.767104      27.14123  51.51349 14.67326 37.73065 16.95401 
13.78284       22.42193 
1 1 1 -16 34 11 f 43.91304 14.33224 22.08036       14.71253  7.978635       
17.20466  60.45568       28.38155  35.60828 14.68421 68.14722 19.49564 
-32.53893      24.40709 
1 1 1 -16 34 12 o 114.7423 7.207296 138.8151       16.73153  151.8588       
20.21265  110.4225       29.82129  119.2922 8.385506 96.09842 15.81011 
23.19373       17.89626 
1 1 1 -16 34 13 o 61.10645 12.64752 43.26111       15.19821  46.01635       
18.11107  36.70179       27.94433  61.87732 14.62466 53.79120 19.63681 
8.086121       24.48438 
1 1 1 -16 34 14 o 45.24046 14.78630 24.41172       15.65747  24.86274       
18.68574  23.34854       28.68891  45.76484 16.13682 47.02402 19.12621 
-1.259186      25.02416 
1 1 1 -16 34 15 o 110.1373 8.551992 131.3927       19.00353  116.8636       
22.42487  168.4109       35.79456  101.8378 11.00342 117.3718 15.36593 
-15.53393      18.89939 
1 1 1 -16 34 16 o 57.22144 18.53516 46.11930       24.62774  40.85602       
37.55002  50.09241       32.62479  52.86790 21.73495 57.18067 21.16101 
-4.312763      30.33474 
1 1 1 -16 34 17 o 30.49874 14.11509 -6.479906      20.69519  -6.479906      
20.69519  0.000000       0.000000  30.49874 14.11509 ?        ?        
0.000000       14.11509 
1 1 1 -16 34 18 o 30.43738 13.65823 0.6668825      17.55121  6.563080       
21.86087  -10.02647      29.44004  35.02607 15.50852 33.83139 16.02789 
1.194672       22.30263 
1 1 1 -16 35 1  o 93.25538 8.873153 96.32631       16.62402  135.6442       
35.03057  84.89802       18.88611  99.67037 17.94329 85.58698 11.11366 
14.08340       21.10628 
1 1 1 -16 35 2  o 34.29714 13.73508 10.39118       14.54484  -3.061946      
31.14528  14.14349       16.44865  37.79826 17.43086 37.46800 14.73380 
0.3302574      22.82367 
1 1 1 -16 35 3  o 114.7954 7.740145 141.2754       17.96314  194.4831       
38.23040  126.2004       20.34934  126.1834 15.20516 107.1452 9.435841 
19.03821       17.89503 
1 1 1 -16 35 4  o 32.59815 12.61604 9.483871       11.90748  -6.163105      
32.88101  11.84561       12.77457  38.76812 17.88927 34.81487 13.16768 
3.953247       22.21292 
1 1 1 -16 35 5  o 46.17598 12.60202 25.03472       12.16369  12.28872       
33.48217  26.97269       13.05570  44.55526 19.47791 47.74158 13.06698 
-3.186317      23.45496 
1 1 1 -16 35 6  o 39.09233 13.03646 17.15250       12.14841  35.33287       
32.71184  14.24390       13.08416  53.28538 20.82991 37.00078 13.44756 
16.28460       24.79359 
1 1 1 -16 35 7  o 35.10970 13.64773 10.89820       13.98197  31.50037       
33.66108  6.602394       15.37071  52.04354 20.87621 33.38992 13.83383 
18.65363       25.04378 
1 1 1 -16 35 8  o 50.78280 11.45141 29.46534       11.54355  7.305419       
15.51585  56.93715       17.27567  33.91438 13.96047 70.47685 12.51247 
-36.56248      18.74718 
1 1 1 -16 35 9  o 50.85994 11.50663 29.58074       11.62265  47.78879       
15.87603  8.551309       17.06177  64.40193 12.57366 35.60849 14.64647 
28.79345       19.30327 
1 1 1 -16 35 10 o 43.94145 13.62455 22.51991       13.43759  26.91922       
15.61173  9.942111       26.39738  47.51365 14.67774 41.23222 17.65639 
6.281437       22.96049 
1 1 1 -16 35 11 o 38.40730 12.96906 16.39338       12.02368  16.89433       
16.15071  15.77054       18.00873  40.05528 14.87577 40.05374 15.51130 
0.1537323E-02  21.49160 
1 1 1 -16 35 12 o 113.2769 6.341489 134.7028       14.54910  139.3169       
19.95728  129.4691       21.25504  113.6582 8.700821 108.7939 9.709435 
4.864296       13.03754 
1 1 1 -16 35 13 o 34.68855 13.13487 11.73794       12.72013  19.00180       
17.07654  2.683643       19.06529  41.35802 15.30874 33.69025 14.71385 
7.667770       21.23335 
1 1 1 -16 35 14 o 29.06440 12.34439 3.390470       12.71312  11.35000       
17.55766  -5.381852      18.43233  36.65224 14.94129 29.88398 13.64211 
6.768269       20.23238 
1 1 1 -16 35 15 o 38.22372 13.78500 16.72883       13.71059  17.03671       
19.14289  16.40454       19.64631  39.93394 15.83375 39.74969 15.94738 
0.1842422      22.47279 
1 1 1 -16 35 16 o 121.3631 10.77778 169.3464       26.32233  134.9159       
42.29953  191.1049       33.62625  90.94624 22.88915 125.1448 13.42296 
-34.19858      26.53468 
1 1 1 -16 35 17 o 43.43345 14.55542 24.81641       15.14389  43.06542       
21.45833  6.708363       21.37529  54.24722 17.27328 34.84204 15.38569 
19.40518       23.13192 
1 1 1 -16 35 18 f 64.89059 12.69447 53.06788       16.15128  58.09202       
23.18694  48.33249       22.51078  61.98420 17.58303 55.97068 17.67800 
6.013523       24.93341 
1 1 1 -16 36 1  o 23.36724 10.56205 -2.615341      10.71639  -9.577791      
26.38708  -1.240171      11.72704  32.43801 15.30916 25.04478 11.20656 
7.393230       18.97254 
1 1 1 -16 36 2  o 52.96369 13.68523 35.43758       14.84501  -9.159720      
31.79444  47.87015       16.78716  35.77205 16.85884 61.82184 13.71221 
-26.04979      21.73120 
1 1 1 -16 36 3  o 124.0736 5.626733 161.3473       14.19669  173.3871       
37.88342  159.3802       15.31256  115.7649 16.56463 122.9768 6.123127 
-7.211853      17.66011 
1 1 1 -16 36 4  o 68.82507 8.843190 52.18213       12.09046  92.25709       
34.77876  46.67318       12.89473  78.98308 21.20677 64.24342 10.21210 
14.73966       23.53751 
1 1 1 -16 36 5  o 37.67548 13.68412 15.52775       13.54546  32.47849       
31.89560  11.79793       14.96169  50.46333 20.29345 35.67769 14.04495 
14.78564       24.67964 
1 1 1 -16 36 6  o 56.17801 12.76018 37.38705       14.24518  104.6066       
34.43211  23.50559       15.64708  87.61650 19.79235 44.25140 14.79543 
43.36510       24.71117 
1 1 1 -16 36 7  o 86.14044 9.107847 81.02562       15.71221  90.04845       
35.65696  78.85149       17.50314  79.11006 21.57074 84.06964 10.46474 
-4.959579      23.97515 
1 1 1 -16 36 8  o 79.63259 9.938147 70.16432       15.74306  72.39397       
34.92210  69.59563       17.63687  70.12878 22.00020 78.34283 11.40534 
-8.214050      24.78085 
1 1 1 -16 36 9  o 59.68326 12.50553 41.66704       14.69193  18.18754       
31.22817  48.34135       16.64966  45.47792 19.33210 63.92673 13.24320 
-18.44881      23.43315 
1 1 1 -16 36 10 o 71.74617 16.18130 64.63636       23.04554  76.70691       
37.32369  57.19910       29.29731  71.06535 22.79695 63.82890 20.16829 
7.236450       30.43782 
1 1 1 -16 36 11 o 93.66064 9.417479 96.30978       17.69361  73.33098       
37.81678  102.7498       20.02007  68.71092 23.00120 95.99091 10.42367 
-27.27998      25.25289 
1 1 1 -16 36 12 o 51.41398 14.71518 32.94526       16.16561  30.40032       
35.62988  33.60493       18.14017  50.02228 20.92114 51.35915 15.81449 
-1.336864      26.22579 
1 1 1 -16 36 13 o 52.00599 14.99881 34.34783       16.73687  45.89432       
36.22549  31.21418       18.87184  55.16854 21.81081 49.10133 16.24227 
6.067207       27.19416 
1 1 1 -16 36 14 o 26.56881 12.35410 -8.481878      16.13682  -43.56325      
33.23402  2.340356       18.45879  30.73691 15.12538 32.37736 14.29744 
-1.640448      20.81331 
1 1 1 -16 36 15 o 26.41970 12.45304 -11.43725      17.35953  -16.22408      
35.53660  -9.936955      19.89482  35.75582 17.12488 28.79054 13.49490 
6.965279       21.80307 
1 1 1 -16 36 16 o 24.48368 12.03650 -30.44690      20.87670  -62.14370      
34.93612  -12.84183      26.03670  28.43818 14.24068 31.40655 14.93520 
-2.968372      20.63631 
1 1 1 -16 36 17 o 55.76389 17.67148 48.21515       22.47973  123.7594       
39.30758  11.49913       27.40334  82.41808 22.72092 37.80380 17.00666 
44.61428       28.38074 
1 1 1 -16 37 1  o 61.77166 14.45438 51.47925       17.83473  96.87592       
32.46194  31.85213       21.34473  75.64345 20.56342 45.78736 17.08214 
29.85609       26.73301 
1 1 1 -16 37 2  o 43.17599 12.11026 23.27517       11.06387  43.23783       
28.32116  19.67991       12.01895  51.32834 19.55984 39.52996 12.95654 
11.79837       23.46187 
1 1 1 -16 37 3  o 44.71711 12.15156 24.58642       11.33823  41.82222       
33.40347  22.34202       12.05387  51.09820 20.69049 42.33683 12.86424 
8.761368       24.36360 
1 1 1 -16 37 4  o 94.90698 7.632760 97.65419       14.60639  133.6563       
33.84952  89.41678       16.19139  99.81940 17.30282 89.72925 8.994682 
10.09015       19.50107 
1 1 1 -16 37 5  o 34.97752 13.37543 12.57796       13.27210  -11.78435      
32.17752  17.57234       14.56914  35.93181 16.94204 38.97059 14.18609 
-3.038784      22.09701 
1 1 1 -16 37 6  o 86.09110 8.483909 81.01118       14.65966  53.98701       
34.41670  87.00089       16.20302  58.68029 21.73073 88.78442 9.103171 
-30.10413      23.56039 
1 1 1 -16 37 7  o 64.46780 11.46638 48.18095       14.48126  61.70372       
34.79502  45.34793       15.92609  62.65327 22.02727 61.33256 13.16312 
1.320713       25.66064 
1 1 1 -16 37 8  o 76.73589 7.095483 63.00090       10.94679  53.73580       
14.31049  76.06921       16.99572  68.80923 10.56487 82.17603 10.40353 
-13.36681      14.82733 
1 1 1 -16 37 9  o 37.45410 14.17261 14.86627       14.80325  -6.399185      
34.61839  19.62481       16.37596  38.76190 18.04741 41.13563 15.03000 
-2.373730      23.48637 
1 1 1 -16 37 10 o 139.5430 5.401607 203.2189       15.32790  230.3409       
21.58167  175.6127       21.77344  147.0859 7.215438 127.1282 8.470860 
19.95767       11.12735 
1 1 1 -16 37 11 o 112.8967 7.261125 136.4765       16.58161  150.5683       
19.25824  96.08711       32.60369  117.9035 8.081028 82.24479 19.74425 
35.65873       21.33398 
1 1 1 -16 37 12 o 64.14867 11.68975 48.41264       14.68726  47.69283       
18.35492  49.69393       24.48861  61.09816 14.90558 59.02420 18.40768 
2.073963       23.68584 
1 1 1 -16 37 13 o 26.07537 11.90245 -4.356031      14.02725  8.543953       
17.38141  -28.44959      23.75422  34.29192 14.49202 27.29546 13.29443 
6.996464       19.66623 
1 1 1 -16 37 14 o 21.22759 10.29849 -18.33733      13.88072  -22.80234      
17.10549  -9.727766      23.75278  23.15406 11.27825 31.15565 14.64878 
-8.001585      18.48744 
1 1 1 -16 37 15 o 28.21343 12.70248 -0.5677086     15.32367  8.348440       
19.44952  -15.16071      24.88241  34.36007 14.93627 30.08741 14.38872 
4.272667       20.73951 
1 1 1 -16 37 16 o 39.60045 14.34132 20.78127       14.86208  31.44085       
21.11790  10.32074       20.91981  45.59372 16.99483 35.20369 15.39282 
10.39004       22.92953 
1 1 1 -16 37 17 o 24.57691 12.04449 -24.77675      20.39392  0.000000       
0.000000  -24.77675      20.39392  ?        ?        24.57691 12.04449 
0.000000       12.04449 
1 1 1 -16 38 1  o 27.39590 12.58807 -1.793118      16.04145  -6.921074      
29.47328  0.3653447      19.12179  32.55633 15.59335 29.94951 13.75485 
2.606817       20.79299 
1 1 1 -16 38 2  o 73.22908 8.785316 61.28476       12.82140  50.27955       
31.41345  63.48452       14.04447  51.42278 20.31672 73.80259 9.584229 
-22.37981      22.46390 
1 1 1 -16 38 3  o 25.62475 11.50998 -1.059340      12.49678  -24.00082      
30.78342  3.467496       13.67425  31.21843 15.18937 28.73804 12.50818 
2.480391       19.67668 
1 1 1 -16 38 4  o 20.01929 9.472980 -9.097401      10.22403  -21.68881      
30.74468  -7.531821      10.84102  32.06144 15.49968 21.34218 9.990280 
10.71926       18.44033 
1 1 1 -16 38 5  o 33.27862 12.02977 12.34322       10.45026  33.89590       
28.74523  9.060843       11.21784  48.04984 19.28552 30.99759 12.17454 
17.05225       22.80681 
1 1 1 -16 38 6  o 42.16815 11.71379 21.50187       10.40378  43.19415       
32.82338  19.07915       10.96938  52.26390 20.73001 39.64297 12.31282 
12.62094       24.11097 
1 1 1 -16 38 7  o 44.11538 11.78710 23.48242       10.77560  65.27116       
34.31252  18.91016       11.34980  62.40284 21.87766 39.54356 12.55928 
22.85928       25.22633 
1 1 1 -16 38 8  o 65.02163 8.461183 46.75988       10.92264  40.77572       
13.13579  60.16840       19.66278  58.80605 11.39607 69.04021 14.46817 
-10.23417      18.41735 
1 1 1 -16 38 9  o 64.45736 9.386374 46.78262       11.94206  40.15818       
14.54278  60.49825       20.92574  57.32987 12.79830 68.27498 15.43443 
-10.94511      20.05039 
1 1 1 -16 38 10 o 83.94506 7.445036 76.34200       12.57718  85.69932       
17.01774  65.07879       18.67057  87.11926 9.774456 73.10370 13.03747 
14.01556       16.29465 
1 1 1 -16 38 11 o 59.19995 12.21844 42.44302       14.22146  44.27094       
16.53987  37.25920       27.85343  59.01944 13.99377 50.03715 19.31491 
8.982288       23.85144 
1 1 1 -16 38 12 o 68.50846 9.171142 53.02991       12.45610  56.46897       
17.56574  49.55154       17.66586  67.24878 13.31601 61.94474 14.31200 
5.304043       19.54864 
1 1 1 -16 38 13 o 49.83596 12.79506 31.44516       13.03347  24.67281       
18.87597  37.61597       18.01816  42.81585 16.04612 51.98542 15.71294 
-9.169575      22.45828 
1 1 1 -16 38 14 o 21.11813 10.24760 -17.41611      13.76383  -19.62226      
17.06843  -13.31414      23.27400  23.53796 11.41949 29.35615 14.00472 
-5.818190      18.07034 
1 1 1 -16 38 15 o 20.45007 10.03994 -21.99017      14.37176  -27.26508      
18.24262  -13.36004      23.33397  22.66441 11.16325 28.99973 13.88582 
-6.335320      17.81668 
1 1 1 -16 38 16 o 59.65178 12.59195 46.25070       14.79491  57.36076       
21.16379  35.63196       20.69055  61.37223 16.57030 46.99730 16.93640 
14.37493       23.69423 
1 1 1 -16 39 1  o 122.1730 5.993313 162.1237       14.88996  139.5478       
34.41460  167.3232       16.51586  89.27319 19.50258 123.1221 6.620822 
-33.84888      20.59577 
1 1 1 -16 39 2  o 108.4460 8.362847 134.4625       18.30008  118.8977       
34.10951  140.7535       21.68528  81.21408 20.61703 108.5686 9.932260 
-27.35456      22.88475 
1 1 1 -16 39 3  o 69.65904 8.495863 55.43446       11.78539  20.80359       
31.71466  60.98288       12.69444  40.17428 18.16341 72.86578 8.741686 
-32.69151      20.15754 
1 1 1 -16 39 4  o 19.34705 9.274968 -11.26367      10.48013  -17.04424      
31.01452  -10.51854      11.13512  32.08792 15.52576 20.33753 9.698032 
11.75040       18.30577 
1 1 1 -16 39 5  o 37.62811 11.96450 17.62093       10.29802  -14.13311      
30.60533  21.67503       10.93566  32.86357 15.77996 41.40176 12.17707 
-8.538189      19.93208 
1 1 1 -16 39 6  o 36.14929 11.95708 15.90614       10.22761  16.46344       
28.89058  15.82629       10.93580  40.34067 17.84672 36.08104 12.36753 
4.259632       21.71316 
1 1 1 -16 39 7  f 119.6486 6.501662 153.5962       15.75978  138.4422       
34.98966  157.4529       17.65167  98.06834 18.21582 120.3933 7.243668 
-22.32492      19.60324 
1 1 1 -16 39 8  o 80.10546 6.428533 68.91761       10.38368  59.09859       
13.37988  83.78686       16.46503  72.06972 9.349843 85.69673 9.613937 
-13.62701      13.41072 
1 1 1 -16 39 9  f 87.96240 6.186734 82.71813       10.99604  79.69928       
14.31316  87.06598       17.17719  84.60360 8.431789 87.10648 9.871583 
-2.502884      12.98242 
1 1 1 -16 39 10 o 56.01144 13.33454 40.10740       14.96959  9.870551       
36.15252  46.36433       16.44565  40.42995 18.69184 59.94965 13.77879 
-19.51970      23.22154 
1 1 1 -16 39 11 o 47.16938 11.86433 27.65215       11.36969  32.58413       
15.46888  21.85706       16.76790  49.15016 14.49029 40.79672 15.15611 
8.353443       20.96846 
1 1 1 -16 39 12 o 21.47009 10.10367 -8.206519      11.34318  -2.508478      
16.06541  -13.87101      16.01804  27.79194 12.70613 24.10116 11.53093 
3.690775       17.15833 
1 1 1 -16 39 13 o 57.94900 11.62088 41.65448       13.21760  77.86500       
18.56006  4.391591       18.82783  79.37291 11.86283 31.83341 14.22511 
47.53950       18.52243 
1 1 1 -16 39 14 o 23.35328 11.10867 -10.61767      14.42404  -4.428889      
18.19993  -21.07024      23.65258  28.07888 13.07752 27.31387 13.29520 
0.7650070      18.64896 
1 1 1 -16 39 15 o 50.83654 13.75279 35.97676       14.56158  56.44625       
22.64666  21.54896       19.01301  58.53144 17.59893 38.79164 15.64401 
19.73980       23.54692 
1 1 1 -16 40 1  o 46.93457 11.08712 29.09870       10.41342  -10.24576      
29.03311  34.90754       11.15569  29.77048 14.54310 51.74056 10.94441 
-21.97008      18.20115 
1 1 1 -16 40 2  o 29.85068 12.29843 9.640347       12.05437  7.068708       
28.69429  10.19145       13.28336  33.80660 15.95793 30.60531 12.78496 
3.201296       20.44776 
1 1 1 -16 40 3  o 51.78433 10.67514 33.59289       10.86784  45.23705       
30.58465  31.91019       11.62661  46.26525 19.36949 49.40877 11.74437 
-3.143517      22.65187 
1 1 1 -16 40 4  o 52.52326 10.25431 33.68390       10.55939  -1.120001      
30.99403  38.25406       11.23130  33.99246 16.20127 56.08011 10.22525 
-22.08765      19.15821 
1 1 1 -16 40 5  o 35.43290 11.26986 15.76652       9.136435  75.25462       
32.74496  10.74432       9.514287  60.96090 21.37208 30.64572 11.41034 
30.31518       24.22729 
1 1 1 -16 40 6  o 26.43701 10.70247 5.838241       8.935466  -14.89849      
31.71741  7.625933       9.312663  32.43915 15.69692 28.08510 11.07284 
4.354052       19.20940 
1 1 1 -16 40 7  o 32.67301 11.05410 12.80352       8.735253  47.40504       
33.61808  10.29823       9.045961  49.61000 20.49865 30.32540 11.15701 
19.28460       23.33824 
1 1 1 -16 40 8  o 24.52498 11.20294 -3.024411      12.45557  37.30892       
34.29354  -9.153641      13.36852  46.17233 19.95180 23.05465 10.88559 
23.11768       22.72818 
1 1 1 -16 40 9  o 33.27297 11.11351 13.35335       8.828288  17.57441       
11.20368  6.439565       14.33864  37.19331 12.51921 30.39767 13.01479 
6.795637       18.05866 
1 1 1 -16 40 10 o 27.88452 11.32247 6.690398       10.03311  20.74151       
13.38200  -11.34745      15.16205  39.50464 13.67316 23.91177 11.37869 
15.59287       17.78847 
1 1 1 -16 40 11 o 19.17847 9.249544 -12.65148      10.79010  -36.84624      
14.65782  15.96819       15.94194  17.90433 9.001473 36.08075 14.40405 
-18.17643      16.98538 
1 1 1 -16 40 12 o 34.84121 13.93950 14.64312       14.96517  13.19470       
17.60236  18.42002       28.42430  34.69333 14.61849 38.86201 17.41402 
-4.168678      22.73650 
1 1 1 -16 40 13 o 75.94751 9.971579 69.07573       15.02809  89.64484       
19.14161  36.02596       24.26358  84.76090 11.39390 45.36421 17.87697 
39.39669       21.19923 
1 1 1 -16 40 14 o 43.18298 14.39139 27.55987       14.80578  53.05579       
18.71163  -15.13215      24.21306  59.63391 15.34185 28.13608 13.63894 
31.49783       20.52786 
1 1 1 -16 41 2  f 56.37629 8.806612 38.44266       9.765985  42.82437       
30.12919  37.92825       10.32334  41.93892 18.40177 55.27068 9.529012 
-13.33176      20.72262 
1 1 1 -16 41 3  f 21.79867 9.782578 -0.1640256     9.005767  26.61864       
29.93197  -2.829866      9.443336  38.16759 17.40837 20.88596 9.619543 
17.28163       19.88937 
1 1 1 -16 41 4  f 38.56755 11.23668 19.65487       9.351066  38.56802       
31.77555  17.86162       9.784338  42.41290 18.74236 36.49051 11.66860 
5.922386       22.07787 
1 1 1 -16 41 5  o 20.43863 9.266692 -1.799111      8.322250  0.000000       
0.000000  -1.799111      8.322250  ?        ?        20.43863 9.266692 
0.000000       9.266692 
1 1 1 -16 41 6  o 61.34317 7.206347 42.21081       8.818182  0.000000       
0.000000  42.21081       8.818182  ?        ?        61.34317 7.206347 
0.000000       7.206347 
1 1 1 -16 41 7  o 42.36073 10.13717 22.15299       8.615722  0.000000       
0.000000  22.15299       8.615722  ?        ?        42.36073 10.13717 
0.000000       10.13717 
1 1 1 -16 41 8  o 29.05834 10.50038 9.739548       7.960946  78.91955       
37.93761  6.552948       8.142232  56.88695 22.37417 26.20420 10.34654 
30.68274       24.65065 
1 1 1 -16 41 9  o 36.57956 10.14305 16.57036       7.808095  24.81883       
9.698359  1.373883       13.16385  44.41046 10.83506 26.58210 11.88535 
17.82836       16.08292 
1 1 1 -16 41 10 o 38.62024 11.30521 19.22762       9.445625  38.18565       
12.14018  -9.852771      15.03587  55.00131 11.23401 23.82472 11.33552 
31.17659       15.95923 
1 1 1 -16 41 11 o 22.64366 11.00130 -16.85243      15.99299  -38.56748      
33.90466  -10.63796      18.13766  28.85408 14.38405 25.75188 12.30682 
3.102201       18.93036 
1 1 1 -16 41 12 f 32.44092 13.73943 11.53610       15.67723  11.53610       
15.67723  0.000000       0.000000  32.44092 13.73943 ?        ?        
0.000000       13.73943 
1 1 1 -16 41 13 f 21.27098 10.16906 -9.877549      12.40690  2.532303       
15.73967  -30.24147      20.16244  28.14271 12.75318 22.76503 11.30618 
5.377674       17.04328 
1 1 1 -16 42 3  o 28.31886 10.57691 10.07512       8.187697  12.55217       
29.57842  9.869563       8.520653  33.14039 15.80394 28.17996 10.73105 
4.960436       19.10287 
1 1 1 -16 42 4  f 44.86896 8.613198 24.39084       7.573151  37.84919       
31.47176  23.56365       7.802416  40.01964 18.09358 43.69320 9.077938 
-3.673557      20.24319 
1 1 1 -16 42 5  o 31.18354 15.10029 -2.871390      29.48558  -2.871390      
29.48558  0.000000       0.000000  31.18354 15.10029 ?        ?        
0.000000       15.10029 
1 1 1 -16 42 6  o 30.35840 14.83539 -10.87558      30.28974  -10.87558      
30.28974  0.000000       0.000000  30.35840 14.83539 ?        ?        
0.000000       14.83539 
1 1 1 -16 42 7  o 36.41711 17.02544 17.59152       31.31603  17.59152       
31.31603  0.000000       0.000000  36.41711 17.02544 ?        ?        
0.000000       17.02544 
1 1 1 -16 42 8  o 33.92246 10.09323 14.58303       7.477813  -16.56257      
32.49513  16.32459       7.684037  30.48548 14.99290 35.86164 10.10429 
-5.376169      18.07992 
1 1 1 -16 42 9  o 56.88084 12.49378 43.90400       14.05624  79.00698       
36.55377  37.81268       15.22705  54.11399 21.73777 50.33622 14.23840 
3.777779       25.98582 
1 1 1 -16 42 10 o 18.32300 8.611420 -5.553026      8.193563  -4.301791      
9.642239  -8.804053      15.54242  20.52580 9.546036 24.03697 11.46089 
-3.511175      14.91572 
1 1 1 -16 42 11 o 18.85041 9.042316 -9.515669      9.994301  -22.80675      
12.21690  17.37682       17.37787  17.66361 8.777399 34.99137 14.62073 
-17.32775      17.05311 
1 1 1 -16 42 12 f 22.64461 10.49185 -3.089070      11.48125  -16.33906      
14.35375  20.44657       19.13025  20.97194 10.24076 36.23592 15.25257 
-15.26398      18.37156 
1 1 1 -16 43 5  o 22.50559 11.13277 -21.67773      18.82625  -26.79431      
30.94473  -18.67108      23.72130  27.03658 13.51857 25.50375 12.59354 
1.532835       18.47563 
1 1 1 -16 43 6  o 30.59681 14.95593 -2.839785      30.84605  -2.839785      
30.84605  0.000000       0.000000  30.59681 14.95593 ?        ?        
0.000000       14.95593 
1 1 1 -16 43 7  o 34.20614 16.30286 15.15786       31.38140  15.15786       
31.38140  0.000000       0.000000  34.20614 16.30286 ?        ?        
0.000000       16.30286 
1 1 1 -16 43 8  o 41.35248 18.74257 45.67533       34.01204  45.67533       
34.01204  0.000000       0.000000  41.35248 18.74257 ?        ?        
0.000000       18.74257 
1 1 1 -16 43 9  o 28.15538 11.84612 8.325970       11.53136  52.02480       
33.93312  2.620696       12.26104  43.20720 19.21697 25.45956 11.42075 
17.74763       22.35454 
1 1 1 -16 43 10 o 20.98645 9.113441 1.704825       7.226103  1.690642       
8.334101  1.747779       14.50394  22.02593 9.670990 26.33452 12.05206 
-4.308590      15.45251 
1 1 1 -15 0  1  o 238.7163 8.831677 584.5756       42.73913  584.5756       
42.73913  584.5756       42.73913  238.7163 8.831677 238.7163 8.831677 
0.000000       0.000000 
1 1 1 -15 0  2  o 133.2022 7.829918 182.8807       21.04125  182.8807       
21.04125  182.8807       21.04125  133.2022 7.829918 133.2022 7.829918 
0.000000       0.000000 
1 1 1 -15 0  3  o 322.8690 6.240303 1063.243       40.93713  1063.243       
40.93713  1063.243       40.93713  322.8690 6.240303 322.8690 6.240303 
0.000000       0.000000 
1 1 1 -15 0  4  o 302.0107 6.067373 930.1583       37.22878  930.1583       
37.22878  930.1583       37.22878  302.0107 6.067373 302.0107 6.067373 
0.000000       0.000000 
1 1 1 -15 0  5  o 456.3455 9.852227 2129.707       91.33189  2129.707       
91.33189  2129.707       91.33189  456.3455 9.852227 456.3455 9.852227 
0.000000       0.000000 
1 1 1 -15 0  6  f 203.9442 8.865903 426.7428       36.61123  426.7428       
36.61123  426.7428       36.61123  203.9442 8.865903 203.9442 8.865903 
0.000000       0.000000 
1 1 1 -15 0  7  o 237.2015 8.794493 576.3314       42.28855  576.3314       
42.28855  576.3314       42.28855  237.2015 8.794493 237.2015 8.794493 
0.000000       0.000000 
1 1 1 -15 0  8  o 21.17786 14.75870 -21.30944      22.92088  -21.30944      
22.92088  -21.30944      22.92088  21.17786 14.75870 21.17786 14.75870 
0.000000       0.000000 
1 1 1 -15 0  9  f 128.9714 7.940619 171.5096       20.64479  171.5096       
20.64479  171.5096       20.64479  128.9714 7.940619 128.9714 7.940619 
0.000000       0.000000 
1 1 1 -15 0  10 o 388.3050 6.588255 1537.538       51.98917  1537.538       
51.98917  1537.538       51.98917  388.3050 6.588255 388.3050 6.588255 
0.000000       0.000000 
1 1 1 -15 0  11 o 49.36450 18.44436 33.70187       17.25657  33.70187       
17.25657  33.70187       17.25657  49.36450 18.44436 49.36450 18.44436 
0.000000       0.000000 
1 1 1 -15 0  12 o 137.6062 7.659190 194.9219       21.28066  194.9219       
21.28066  194.9219       21.28066  137.6062 7.659190 137.6062 7.659190 
0.000000       0.000000 
1 1 1 -15 0  13 o 92.88808 11.02708 91.97041       20.05560  91.97041       
20.05560  91.97041       20.05560  92.88808 11.02708 92.88808 11.02708 
0.000000       0.000000 
1 1 1 -15 0  14 o 166.6150 7.508759 285.0218       25.32333  285.0218       
25.32333  285.0218       25.32333  166.6150 7.508759 166.6150 7.508759 
0.000000       0.000000 
1 1 1 -15 0  15 o 210.7386 7.006476 454.6669       29.95064  454.6669       
29.95064  454.6669       29.95064  210.7386 7.006476 210.7386 7.006476 
0.000000       0.000000 
1 1 1 -15 0  16 o 48.17669 23.18341 36.06152       26.29399  36.06152       
26.29399  36.06152       26.29399  48.17669 23.18341 48.17669 23.18341 
0.000000       0.000000 
1 1 1 -15 0  17 o 129.6373 12.72946 178.2220       32.81502  178.2220       
32.81502  178.2220       32.81502  129.6373 12.72946 129.6373 12.72946 
0.000000       0.000000 
1 1 1 -15 0  18 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -15 0  19 o 430.8191 10.38538 1914.872       90.86535  1914.872       
90.86535  1914.872       90.86535  430.8191 10.38538 430.8191 10.38538 
0.000000       0.000000 
1 1 1 -15 0  20 o 150.6837 13.13172 241.2508       39.53526  241.2508       
39.53526  241.2508       39.53526  150.6837 13.13172 150.6837 13.13172 
0.000000       0.000000 
1 1 1 -15 0  21 o 166.0845 12.14918 291.1731       40.52783  291.1731       
40.52783  291.1731       40.52783  166.0845 12.14918 166.0845 12.14918 
0.000000       0.000000 
1 1 1 -15 0  22 o 42.27211 24.24357 28.02471       33.10447  28.02471       
33.10447  28.02471       33.10447  42.27211 24.24357 42.27211 24.24357 
0.000000       0.000000 
1 1 1 -15 0  23 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -15 0  24 o 50.51981 26.30139 48.47170       35.19671  48.47170       
35.19671  48.47170       35.19671  50.51981 26.30139 50.51981 26.30139 
0.000000       0.000000 
1 1 1 -15 0  25 o 196.9704 15.17176 446.2680       59.94070  446.2680       
59.94070  446.2680       59.94070  196.9704 15.17176 196.9704 15.17176 
0.000000       0.000000 
1 1 1 -15 1  1  o 146.7208 4.924714 219.5396       14.69346  236.3604       
20.81543  202.8338       20.74413  152.0393 6.732529 140.5929 7.280670 
11.44638       9.916406 
1 1 1 -15 1  2  o 421.8201 4.730635 1813.779       40.57870  1766.363       
56.42157  1864.584       58.40365  415.7457 6.673688 427.1321 6.723980 
-11.38635      9.473648 
1 1 1 -15 1  3  o 156.6389 4.902055 250.1038       15.61454  279.0620       
22.71102  224.1442       21.50305  165.2707 6.757552 148.0771 7.141026 
17.19360       9.831518 
1 1 1 -15 1  4  o 118.1318 7.978833 143.4168       19.05480  182.3425       
27.72065  108.5497       26.23573  132.8302 10.34412 101.7046 12.98140 
31.12556       16.59871 
1 1 1 -15 1  5  o 335.5643 6.240793 1149.052       42.58601  1227.455       
62.22115  1079.958       58.41073  346.1974 8.838179 324.7296 8.845438 
21.46780       12.50421 
1 1 1 -15 1  6  o 208.0861 6.329950 441.8282       26.78519  445.5786       
37.59890  437.9636       38.16745  208.6116 8.863092 206.7864 9.076529 
1.825256       12.68613 
1 1 1 -15 1  7  o 168.0530 5.633665 287.9447       19.25257  263.0743       
23.12794  344.0730       34.74451  160.5033 7.086009 183.0260 9.366547 
-22.52269      11.74494 
1 1 1 -15 1  8  o 127.7759 6.457284 167.0233       16.72399  159.2487       
20.40536  182.9317       29.18910  124.5372 8.101449 133.0226 10.88591 
-8.485321      13.56969 
1 1 1 -15 1  9  o 168.9252 6.815568 291.3195       23.41250  266.8216       
32.69210  317.1122       33.54492  160.9830 10.03642 175.6746 9.424413 
-14.69156      13.76769 
1 1 1 -15 1  10 o 148.9552 5.808965 226.2814       17.59567  196.7908       
29.45185  242.6501       21.94208  138.0358 10.57265 154.1433 7.000060 
-16.10742      12.67997 
1 1 1 -15 1  11 o 214.1116 5.187240 467.3024       22.58541  495.9441       
39.62715  453.5219       27.48684  220.0452 8.855837 210.7906 6.412420 
9.254517       10.93366 
1 1 1 -15 1  12 o 344.3145 5.223592 1208.660       36.57430  1196.370       
62.69085  1215.002       45.03227  341.6472 9.023495 344.9795 6.419173 
-3.332245      11.07381 
1 1 1 -15 1  13 o 197.8038 5.468041 399.0754       21.99469  427.0911       
37.94333  384.8976       26.99232  204.0550 9.144011 194.0867 6.839008 
9.968338       11.41862 
1 1 1 -15 1  14 o 174.1158 5.084349 309.1388       18.00217  286.7553       
25.19765  332.4753       25.72849  167.4237 7.401022 180.3329 7.015972 
-12.90924      10.19799 
1 1 1 -15 1  15 o 233.8549 4.726149 557.5274       22.47529  545.6251       
31.56609  569.7655       32.00823  231.0330 6.718856 236.0983 6.666800 
-5.065308      9.465160 
1 1 1 -15 1  16 o 143.1109 5.798708 209.1306       16.87546  218.0473       
24.41080  200.9684       23.35518  145.5796 8.279959 139.7483 8.255004 
5.831375       11.69200 
1 1 1 -15 1  17 o 225.3878 4.999839 518.2806       22.91595  519.4047       
32.54940  517.1758       32.26851  225.2408 7.106316 224.7670 7.059841 
0.4737549      10.01704 
1 1 1 -15 1  18 o 44.37618 16.94351 15.19334       21.27727  7.838419       
29.98488  22.65291       30.19745  46.39320 19.27974 52.91693 20.18971 
-6.523724      27.91653 
1 1 1 -15 1  19 o 188.1623 5.628881 361.8014       21.53803  357.9938       
30.04404  365.8271       30.89243  186.7130 7.912838 188.7121 8.050090 
-1.999115      11.28791 
1 1 1 -15 1  20 o 258.0986 7.128959 683.0829       37.41650  659.6372       
52.16932  707.9185       53.69344  252.5346 10.15881 261.6427 10.09163 
-9.108093      14.31930 
1 1 1 -15 1  21 o 89.79280 9.734061 84.29944       17.48946  78.43009       
24.98264  89.94067       24.49233  85.00909 15.00011 91.66383 13.54777 
-6.654739      20.21251 
1 1 1 -15 1  22 o 226.7047 5.636236 526.0133       25.98371  495.4771       
35.97797  559.3056       37.56651  219.2736 8.068613 233.0233 7.927751 
-13.74971      11.31158 
1 1 1 -15 1  23 o 100.5635 9.544087 106.0947       19.28377  146.0153       
27.26839  66.15675       27.27435  117.3290 11.57991 76.22832 17.90039 
41.10070       21.31943 
1 1 1 -15 1  24 o 121.0485 8.504639 153.2530       20.80182  198.9463       
30.05354  111.2293       28.82153  136.8295 10.89118 100.3083 14.55455 
36.52123       18.17835 
1 1 1 -15 1  25 o 52.37207 20.05315 28.22517       29.85659  54.79827       
42.48810  2.303627       41.96397  66.08692 24.20011 48.01546 21.36223 
18.07146       32.27988 
1 1 1 -15 2  1  o 206.5495 4.324045 434.7942       18.16209  420.3842       
25.26175  450.2122       26.13041  202.8602 6.123719 209.9342 6.120848 
-7.074005      8.658216 
1 1 1 -15 2  2  f 296.4798 4.284533 895.6244       25.83152  887.2245       
36.44158  904.1075       36.62167  294.7722 6.079378 297.5693 6.051995 
-2.797028      8.578198 
1 1 1 -15 2  3  o 182.2934 4.611428 338.6430       17.09455  350.5865       
23.99115  326.3257       24.36386  185.2912 6.367147 178.7236 6.703673 
6.567596       9.245528 
1 1 1 -15 2  4  o 108.3020 8.337070 120.7751       18.22009  105.7790       
25.28257  136.9785       26.28060  100.4509 12.65809 114.7882 11.40985 
-14.33736      17.04147 
1 1 1 -15 2  5  o 320.7923 6.120397 1049.992       39.92592  1019.976       
55.51736  1082.146       57.46031  315.6255 8.649785 325.0913 8.691830 
-9.465790      12.26241 
1 1 1 -15 2  6  o 162.9503 6.791314 271.0955       22.50403  283.4568       
31.95076  258.9262       31.70172  166.0324 9.502636 158.5886 9.879194 
7.443771       13.70761 
1 1 1 -15 2  7  o 45.68556 15.37386 20.36298       16.89553  8.663112       
23.53418  32.80653       24.27060  42.88728 17.36655 56.71470 18.40320 
-13.82742      25.30365 
1 1 1 -15 2  8  o 118.3708 8.490237 144.0813       20.30118  124.8022       
28.00529  165.4315       29.47119  109.2910 12.84605 126.3042 11.60414 
-17.01315      17.31118 
1 1 1 -15 2  9  o 172.0245 6.878994 302.1382       24.06393  322.1145       
34.38301  282.9584       33.69062  177.0220 9.587095 165.7915 10.04033 
11.23059       13.88239 
1 1 1 -15 2  10 o 309.8602 6.264470 979.6996       39.47313  1028.391       
57.52885  936.3825       54.26120  316.8893 8.927435 302.4064 8.823624 
14.48288       12.55211 
1 1 1 -15 2  11 o 26.73787 11.96355 -5.694073      13.36311  4.010788       
23.14479  -10.54700      16.36668  40.42272 16.88023 28.14646 12.85128 
12.27627       21.21550 
1 1 1 -15 2  12 o 126.1796 5.790071 162.4231       14.85678  172.0618       
21.90934  154.2182       20.21420  129.3706 8.372922 122.4840 8.162441 
6.886536       11.69321 
1 1 1 -15 2  13 f 254.5490 4.567883 660.2705       23.64492  688.7676       
34.02118  633.6440       32.88566  259.7014 6.442042 249.0840 6.492461 
10.61746       9.146145 
1 1 1 -15 2  14 o 73.71426 9.605739 56.73249       14.05692  42.02489       
19.65203  72.14128       20.11503  62.25198 15.56520 82.66764 12.34374 
-20.41566      19.86563 
1 1 1 -15 2  15 o 194.6938 4.983186 386.5553       19.72925  393.1157       
28.04532  380.1279       27.75963  196.0514 7.034595 192.7781 7.081162 
3.273300       9.981402 
1 1 1 -15 2  16 o 175.0631 5.332367 312.7394       18.98305  331.5631       
27.69689  296.0632       26.06917  179.9249 7.569868 170.0250 7.539855 
9.899887       10.68421 
1 1 1 -15 2  17 o 295.2759 4.773588 889.2733       28.66318  915.8316       
41.07447  864.0637       40.01789  299.1860 6.751174 290.6017 6.771808 
8.584351       9.562203 
1 1 1 -15 2  18 o 154.2132 7.002208 243.5707       21.95877  224.1721       
26.25362  288.7438       40.06301  147.3824 8.799931 166.3660 11.92109 
-18.98358      14.81726 
1 1 1 -15 2  19 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -15 2  20 o 162.5417 12.04723 276.5629       39.53673  0.000000       
0.000000  276.5629       39.53673  ?        ?        162.5417 12.04723 
0.000000       12.04723 
1 1 1 -15 2  21 o 122.8768 11.09536 158.1176       27.42537  0.000000       
0.000000  158.1176       27.42537  ?        ?        122.8768 11.09536 
0.000000       11.09536 
1 1 1 -15 2  22 o 48.50021 15.60366 24.78017       17.47608  55.02071       
24.95652  -4.316958      24.48017  70.03020 17.55744 37.50588 16.51852 
32.52431       24.10654 
1 1 1 -15 2  23 o 204.4570 5.906272 428.8535       24.55652  464.6505       
35.45898  395.8627       34.04076  211.9337 8.227629 195.4787 8.563440 
16.45500       11.87545 
1 1 1 -15 2  24 o 33.73346 14.54022 0.5886446      18.12137  -28.20937      
26.27383  26.71743       25.02660  31.54269 15.00085 51.15408 18.59719 
-19.61139      23.89311 
1 1 1 -15 2  25 o 142.4791 11.67111 220.0002       33.51873  222.8790       
47.98854  217.2579       46.83768  138.4018 17.43787 136.8452 17.21197 
1.556656       24.50166 
1 1 1 -15 3  1  o 221.9901 4.951761 502.6077       22.35346  484.4353       
38.44533  511.8889       27.47500  217.2420 8.702585 223.8630 6.035370 
-6.620956      10.59059 
1 1 1 -15 3  2  o 290.6433 4.929229 861.3174       29.13337  775.1138       
47.83095  912.1605       36.73351  274.9402 8.554988 298.8875 6.043704 
-23.94733      10.47445 
1 1 1 -15 3  3  o 169.4926 5.405756 293.0084       18.63196  286.9840       
22.62815  305.6923       32.83364  167.6082 6.638995 172.3289 9.404903 
-4.720703      11.51210 
1 1 1 -15 3  4  o 166.6118 5.358007 283.0586       18.15351  260.1799       
21.79712  334.8549       32.79684  159.6064 6.715793 180.7583 8.922413 
-21.15189      11.16742 
1 1 1 -15 3  5  o 259.2475 4.236959 684.5195       22.33676  652.5359       
30.87907  719.6231       32.35014  252.9028 6.004256 265.5875 5.989867 
-12.68465      8.481132 
1 1 1 -15 3  6  o 105.7000 6.009831 114.3347       12.86444  119.2432       
17.85330  109.0338       18.55300  107.6578 8.217012 102.7993 8.964808 
4.858566       12.16088 
1 1 1 -15 3  7  o 197.6077 4.465849 397.7355       17.94566  381.5233       
25.23655  414.3190       25.52387  193.3571 6.418276 201.5176 6.228481 
-8.160492      8.943614 
1 1 1 -15 3  8  o 220.8084 4.377509 496.5734       19.65595  513.9709       
28.29363  480.3444       27.32698  224.4535 6.198847 216.9875 6.193063 
7.465958       8.762404 
1 1 1 -15 3  9  o 355.9676 5.222174 1291.501       37.80187  1311.384       
46.60646  1253.269       64.62674  358.4810 6.393351 349.8025 9.085271 
8.678497       11.10932 
1 1 1 -15 3  10 o 142.5830 5.916367 207.3700       17.15435  211.0122       
21.01694  200.1006       29.69177  143.5386 7.223378 139.1871 10.56918 
4.351456       12.80175 
1 1 1 -15 3  11 o 86.89653 7.384936 77.72372       12.92604  69.01949       
18.03649  86.91476       18.53401  81.16266 11.22888 91.46536 10.13500 
-10.30270      15.12634 
1 1 1 -15 3  12 o 62.75570 10.13035 41.45060       12.48763  46.25652       
17.50231  36.46729       17.82238  65.68672 13.55258 58.14960 14.97979 
7.537121       20.20065 
1 1 1 -15 3  13 o 98.36662 7.070934 99.40941       14.04975  99.64038       
19.73959  99.17226       20.00171  97.96992 10.05051 97.70368 10.21828 
0.2662354      14.33269 
1 1 1 -15 3  14 o 184.7046 5.030365 347.8733       18.89420  352.0549       
27.08813  343.9113       26.36732  185.5363 7.179574 183.3940 7.070164 
2.142319       10.07638 
1 1 1 -15 3  15 o 139.9406 12.26273 204.1769       34.54451  204.1769       
34.54451  0.000000       0.000000  139.9406 12.26273 ?        ?        
0.000000       12.26273 
1 1 1 -15 3  16 o 53.77162 14.10083 31.24002       15.60879  54.51543       
27.48975  20.16558       18.96195  70.39993 18.83362 46.27192 16.26127 
24.12800       24.88240 
1 1 1 -15 3  17 o 129.2119 7.696856 171.7401       20.13235  247.9502       
37.10600  139.9466       23.96665  154.2163 11.92479 116.0433 10.26210 
38.17300       15.73249 
1 1 1 -15 3  18 f 167.4989 6.663324 287.1629       22.69627  276.2540       
39.27934  292.6306       27.80838  162.6868 11.95678 168.8194 8.100314 
-6.132614      14.44229 
1 1 1 -15 3  19 o 137.2854 7.934969 194.1957       22.05796  166.5333       
37.93975  208.3207       27.11082  124.8455 15.26188 141.8221 9.454611 
-16.97654      17.95313 
1 1 1 -15 3  20 o 102.6892 10.39548 110.2231       21.40897  128.6851       
37.60574  101.3702       26.04088  108.5075 17.64949 97.52705 13.49178 
10.98050       22.21559 
1 1 1 -15 3  21 o 63.30971 15.57586 44.15732       19.91533  69.43407       
35.89935  32.92002       23.93630  78.04322 21.78773 55.85359 18.28347 
22.18963       28.44276 
1 1 1 -15 3  22 o 254.2821 6.314534 662.9531       32.65190  600.8221       
55.30842  696.1920       40.45383  239.8630 11.33905 260.0732 7.649139 
-20.21024      13.67784 
1 1 1 -15 3  23 o 94.26192 12.09698 95.11194       22.65301  83.08920       
39.71090  100.9115       27.58076  83.42245 22.77118 96.10691 14.56915 
-12.68446      27.03307 
1 1 1 -15 3  24 o 75.89513 16.09395 65.61829       24.06829  64.66352       
43.52865  66.03873       28.88560  72.44080 24.67509 74.80688 18.96300 
-2.366081      31.12001 
1 1 1 -15 3  25 o 108.6692 11.35861 128.0911       24.72959  136.4702       
44.64035  124.3811       29.70400  104.2254 21.76459 105.2538 14.24386 
-1.028465      26.01124 
1 1 1 -15 4  1  o 131.4833 5.213797 176.3865       13.94043  181.6573       
19.70259  171.1028       19.72692  133.0144 7.312126 129.0387 7.550658 
3.975723       10.51093 
1 1 1 -15 4  2  o 267.4494 4.951569 729.3778       26.92998  730.9517       
32.71918  726.0724       47.41619  267.5556 6.013634 266.0299 8.764855 
1.525696       10.62951 
1 1 1 -15 4  3  o 161.2588 5.439682 265.2534       17.83809  273.8307       
21.72148  247.4877       31.26123  163.7304 6.523922 154.8687 9.979509 
8.861679       11.92276 
1 1 1 -15 4  4  o 261.6774 4.245709 697.5028       22.59269  713.0296       
32.21925  682.4828       31.68913  264.3349 5.993899 258.6057 6.025883 
5.729156       8.499299 
1 1 1 -15 4  5  o 183.1159 4.425192 341.5759       16.47820  331.9501       
23.27275  351.2530       23.33474  180.3391 6.346092 185.5263 6.185092 
-5.187119      8.861616 
1 1 1 -15 4  6  o 112.4357 5.616508 128.9101       12.84169  107.2514       
17.72937  152.8138       18.62553  101.9994 8.628525 122.0461 7.541651 
-20.04675      11.45984 
1 1 1 -15 4  7  o 245.3178 4.295366 612.9120       21.42796  588.9017       
29.65422  639.1474       30.99784  240.2670 6.069334 250.3043 6.089921 
-10.03734      8.597903 
1 1 1 -15 4  8  o 247.7646 4.324132 625.2072       21.78661  611.3815       
30.64454  639.3374       30.98005  244.8006 6.155866 250.3445 6.085448 
-5.543915      8.656058 
1 1 1 -15 4  9  o 219.9971 4.375948 492.9531       19.57674  502.6148       
28.01280  483.7298       27.36979  221.9488 6.206580 217.7422 6.181264 
4.206543       8.759547 
1 1 1 -15 4  10 o 170.5963 5.471119 296.7327       18.98004  293.2649       
23.13710  303.8679       33.18819  169.4778 6.713432 171.8936 9.531851 
-2.415741      11.65875 
1 1 1 -15 4  11 o 205.2685 5.197689 429.5365       21.69621  481.4099       
27.49134  343.8732       35.32814  217.1870 6.224586 182.8578 9.533724 
34.32924       11.38584 
1 1 1 -15 4  12 o 27.41697 11.65082 0.2618175      11.33554  2.865493       
16.11372  -2.288997      15.94930  33.88381 14.11166 31.13896 13.53085 
2.744846       19.55052 
1 1 1 -15 4  13 o 362.5342 4.649390 1339.467       34.27649  1347.702       
48.51924  1331.264       48.42945  363.2257 6.568799 360.9966 6.597129 
2.229126       9.309739 
1 1 1 -15 4  14 o 78.68245 8.341801 64.14343       13.14360  67.58163       
18.40567  60.56565       18.77556  80.11345 11.63829 75.51710 12.67545 
4.596352       17.20805 
1 1 1 -15 4  15 o 193.7426 4.865706 382.7536       19.17001  393.9943       
27.17241  371.6149       27.04899  196.2975 6.807096 190.6139 6.978226 
5.683640       9.748446 
1 1 1 -15 4  16 o 249.1513 4.701874 632.9827       23.82240  617.7151       
33.31077  648.9658       34.08241  245.7736 6.664967 251.9164 6.653076 
-6.142822      9.417282 
1 1 1 -15 4  17 o 307.7968 5.538036 967.4039       34.66341  1003.197       
42.77770  898.9620       59.15309  313.1241 6.718148 295.3485 9.848981 
17.77560       11.92208 
1 1 1 -15 4  18 o 159.7213 5.858996 260.7345       19.02994  227.0739       
26.09879  298.9460       27.80717  148.3506 8.689175 170.6414 8.013476 
-22.29073      11.82022 
1 1 1 -15 4  19 o 76.22538 15.56706 63.41147       23.31417  0.000000       
0.000000  63.41147       23.31417  ?        ?        76.22538 15.56706 
0.000000       15.56706 
1 1 1 -15 4  20 o 96.17219 8.850276 96.06472       17.11422  93.50852       
23.62134  98.88924       24.83022  93.83965 12.70514 96.45605 12.98927 
-2.616394      18.16980 
1 1 1 -15 4  21 o 64.35741 13.41640 45.00084       16.98942  71.38931       
23.80453  17.60390       24.25513  80.98280 15.00757 47.12005 18.06676 
33.86275       23.48691 
1 1 1 -15 4  22 o 160.1937 6.738114 263.4479       21.95003  263.0775       
31.67219  263.7902       30.44805  158.9329 9.848209 159.3013 9.441250 
-0.3684692     13.64274 
1 1 1 -15 4  23 o 164.2971 9.172154 281.3568       30.52218  281.3568       
30.52218  0.000000       0.000000  164.2971 9.172154 ?        ?        
0.000000       9.172154 
1 1 1 -15 4  24 o 67.69408 14.23660 51.40066       18.97646  32.98191       
25.85557  72.90715       27.93887  54.83226 19.00420 79.19659 17.78336 
-24.36434      26.02705 
1 1 1 -15 4  25 o 149.7216 7.605746 234.4352       23.08069  241.3071       
33.41574  228.1655       31.91782  149.6304 11.06034 145.6315 10.85569 
3.998932       15.49765 
1 1 1 -15 5  1  o 282.8444 4.223202 815.3007       24.29074  758.4758       
33.42038  878.9373       35.36679  272.4835 6.031422 293.3477 5.928729 
-20.86417      8.457416 
1 1 1 -15 5  2  o 240.5407 4.950737 590.0192       24.21642  591.1857       
29.27130  587.4888       43.10913  240.6172 5.982242 239.2576 8.860375 
1.359558       10.69081 
1 1 1 -15 5  3  o 34.35477 12.46736 10.11917       11.24024  44.88717       
15.79122  -25.58801      16.00308  64.85384 12.42608 23.09839 11.17045 
41.75545       16.70887 
1 1 1 -15 5  4  o 256.7093 4.269238 671.3062       22.28658  699.4271       
32.16492  645.3391       30.90857  261.7845 6.042088 251.4584 6.044513 
10.32614       8.546518 
1 1 1 -15 5  5  o 108.9052 5.954834 121.3670       13.13775  109.9488       
18.57843  132.7879       18.58075  103.2085 8.940324 113.6347 8.093719 
-10.42620      12.05975 
1 1 1 -15 5  6  o 214.7578 4.284143 469.7492       18.70959  480.6919       
26.63892  459.0966       26.28338  217.0613 6.035076 212.1225 6.093165 
4.938797       8.576059 
1 1 1 -15 5  7  o 368.9424 4.506648 1386.580       33.81143  1456.438       
49.04764  1323.321       46.67381  377.7693 6.384692 360.0941 6.373908 
17.67526       9.021695 
1 1 1 -15 5  8  o 173.9666 4.650631 308.3237       16.45239  329.3471       
23.55538  288.2985       22.98934  179.6371 6.448259 168.0420 6.727555 
11.59512       9.318801 
1 1 1 -15 5  9  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -15 5  10 o 88.60298 7.191953 80.73193       12.84643  103.6774       
18.22989  58.09740       18.10595  100.1939 9.044804 74.08224 12.46099 
26.11166       15.39755 
1 1 1 -15 5  11 o 392.9806 5.421508 1574.776       43.32541  1584.507       
53.13662  1555.477       74.83369  393.9104 6.633534 389.4215 9.449868 
4.488892       11.54573 
1 1 1 -15 5  12 o 161.4961 4.988714 265.8661       16.38332  271.3611       
22.62570  259.8090       23.75453  162.9738 6.827047 159.4088 7.327953 
3.564941       10.01536 
1 1 1 -15 5  13 o 300.1211 4.503669 917.8661       27.48619  909.0581       
38.38995  927.1302       39.37130  298.3554 6.327502 301.2858 6.426132 
-2.930389      9.018451 
1 1 1 -15 5  14 o 74.60826 8.994853 57.93066       13.37166  63.91454       
18.60990  51.54408       19.22590  77.73531 12.17210 69.20621 14.13897 
8.529106       18.65665 
1 1 1 -15 5  15 o 95.05310 7.462802 93.05332       14.30917  100.8897       
20.27421  85.27543       20.19846  98.46042 10.27730 90.21437 11.25492 
8.246048       15.24127 
1 1 1 -15 5  16 o 107.3228 6.970822 118.3481       15.13102  111.1013       
20.92943  126.2831       21.90058  103.3717 10.08490 110.3185 9.866538 
-6.946762      14.10864 
1 1 1 -15 5  17 o 46.07032 15.19440 21.46115       16.51986  46.77651       
20.12078  -30.90137      28.93763  65.48480 15.37285 33.87816 16.00203 
31.60664       22.18985 
1 1 1 -15 5  18 o 298.6609 4.913902 910.2947       29.84395  877.2798       
41.17215  946.8462       43.32126  292.6658 6.917993 304.0196 7.007257 
-11.35379      9.846841 
1 1 1 -15 5  19 o 69.73048 16.02995 53.42361       22.25471  0.000000       
0.000000  53.42361       22.25471  ?        ?        69.73048 16.02995 
0.000000       16.02995 
1 1 1 -15 5  20 o 133.2013 7.116147 182.4739       19.20570  177.5589       
27.40675  187.2165       26.92167  130.5468 10.41036 134.2124 9.934689 
-3.665512      14.39005 
1 1 1 -15 5  21 o 93.99680 9.607941 92.27629       18.10701  74.55599       
25.30176  110.8788       25.92392  82.56784 15.64175 102.1743 12.75474 
-19.60642      20.18286 
1 1 1 -15 5  22 o 161.0956 6.686360 266.4248       21.90407  258.4782       
30.17727  275.2735       31.84395  157.6548 9.456543 162.6296 9.672506 
-4.974792      13.52714 
1 1 1 -15 5  23 o 188.2061 6.176025 363.8416       23.63710  376.4294       
32.99435  350.5697       33.87902  190.5666 8.514152 183.6679 9.070809 
6.898682       12.44067 
1 1 1 -15 5  24 o 183.5655 6.417151 347.5533       23.95437  349.9370       
34.15905  345.2467       33.60102  182.6010 9.229156 181.4268 9.136801 
1.174164       12.98686 
1 1 1 -15 5  25 o 62.49401 15.18712 45.43692       19.11107  21.60797       
27.09337  69.03428       26.96139  48.16582 18.91944 75.81934 17.79270 
-27.65351      25.97163 
1 1 1 -15 6  1  o 20.77562 9.986055 -18.03431      12.32750  -14.16303      
14.63625  -27.48465      22.86790  24.83325 11.61922 29.50402 14.02065 
-4.670769      18.20947 
1 1 1 -15 6  2  o 125.8705 6.056621 161.8089       15.50265  159.3547       
18.19757  168.3032       29.60258  124.5923 7.213279 127.1260 11.57793 
-2.533722      13.64111 
1 1 1 -15 6  3  o 72.61239 8.196892 54.68621       11.89166  62.28023       
16.54538  46.57153       17.10318  77.02676 10.86465 65.91229 13.22022 
11.11447       17.11184 
1 1 1 -15 6  4  o 154.8200 4.658683 244.2692       14.66702  245.6261       
20.68453  242.8971       20.80054  155.0756 6.559198 154.2038 6.633278 
0.8717957      9.328636 
1 1 1 -15 6  5  o 168.8834 4.525605 290.5912       15.54229  294.2955       
21.87001  286.8112       22.09190  169.7903 6.334095 167.6017 6.481914 
2.188660       9.062889 
1 1 1 -15 6  6  o 147.4628 4.904390 221.6088       14.70682  239.6351       
20.63046  202.9827       20.97090  153.1980 6.622231 140.7386 7.352969 
12.45944       9.895458 
1 1 1 -15 6  7  f 253.2883 4.283676 653.4286       22.06394  681.8262       
31.61347  626.4592       30.80836  258.5182 6.013532 247.7855 6.114221 
10.73268       8.575912 
1 1 1 -15 6  8  f 135.5946 5.192205 187.4110       14.31679  207.2675       
20.04638  166.7392       20.45376  142.4586 6.919837 127.4434 7.931637 
15.01519       10.52592 
1 1 1 -15 6  9  o 93.90110 6.663066 90.47469       12.64059  95.06956       
17.78057  85.77932       17.97398  95.87957 9.233606 90.91227 9.881452 
4.967300       13.52415 
1 1 1 -15 6  10 o 263.4809 4.302752 707.1252       23.05403  704.4491       
32.34029  709.8903       32.87288  262.7522 6.052658 263.7532 6.128984 
-1.001038      8.613891 
1 1 1 -15 6  11 o 164.2063 5.602194 275.0230       18.70679  295.7420       
23.08372  235.3844       31.92869  170.1674 6.670802 150.9731 10.46449 
19.19431       12.40989 
1 1 1 -15 6  12 o 35.15200 13.48945 8.755562       13.52883  0.1634524      
16.10827  29.32677       24.92464  32.47303 13.84606 54.63609 18.67147 
-22.16306      23.24516 
1 1 1 -15 6  13 o 304.8604 4.472278 947.0930       27.72562  952.2755       
38.87842  941.7299       39.55011  305.3669 6.260876 303.6406 6.405255 
1.726379       8.956889 
1 1 1 -15 6  14 o 176.6582 4.943680 318.2299       17.75970  287.3260       
24.46995  352.6275       25.81608  167.5939 7.179982 185.7171 6.835763 
-18.12317      9.913616 
1 1 1 -15 6  15 o 113.3174 6.407988 131.6445       14.70573  112.3772       
20.02081  154.2192       21.67118  104.1128 9.563303 122.2636 8.774693 
-18.15076      12.97891 
1 1 1 -15 6  16 o 48.79873 13.08499 25.61651       13.25115  -1.459781      
18.24801  55.82294       19.27395  33.66048 14.54962 72.09297 13.64673 
-38.43250      19.94805 
1 1 1 -15 6  17 o 198.1046 5.969750 401.0809       24.04929  391.0169       
28.82393  424.1377       43.62822  195.3658 7.255262 202.3328 10.64090 
-6.966934      12.87896 
1 1 1 -15 6  18 o 61.14310 16.07101 40.95603       20.24479  40.95603       
20.24479  0.000000       0.000000  61.14310 16.07101 ?        ?        
0.000000       16.07101 
1 1 1 -15 6  19 o 55.32190 17.27046 32.68834       21.55016  0.000000       
0.000000  32.68834       21.55016  ?        ?        55.32190 17.27046 
0.000000       17.27046 
1 1 1 -15 6  20 o 149.9880 6.349391 230.3386       19.36600  214.3569       
26.87455  247.6018       27.93134  143.8514 9.235857 154.7395 8.914165 
-10.88809      12.83602 
1 1 1 -15 6  21 o 121.8855 8.559834 153.8638       21.08172  158.0624       
26.67178  146.8736       34.41497  122.8978 10.78119 116.9808 14.79806 
5.917030       18.30893 
1 1 1 -15 6  22 o 166.6932 9.142239 288.5550       30.87173  288.5550       
30.87173  0.000000       0.000000  166.6932 9.142239 ?        ?        
0.000000       9.142239 
1 1 1 -15 6  23 f 61.51941 14.92086 42.33171       18.47451  52.34722       
26.13140  32.32308       26.12241  67.47982 18.49369 55.17227 19.10315 
12.30755       26.58848 
1 1 1 -15 6  24 o 37.91545 16.12732 3.900425       21.75704  0.8942517      
26.40628  10.25543       38.39355  39.91425 17.37725 49.64336 21.27688 
-9.729115      27.47134 
1 1 1 -15 6  25 o 141.4495 7.841044 209.8867       22.46591  237.2892       
32.64972  185.2460       30.96071  148.3527 10.89892 130.3504 11.80830 
18.00232       16.06930 
1 1 1 -15 7  1  o 241.6849 4.895276 595.8237       24.05903  629.9293       
29.53627  528.5735       41.47531  248.3354 5.848784 226.7738 8.993843 
21.56158       10.72835 
1 1 1 -15 7  2  o 62.44258 9.483997 40.96551       11.66397  47.26208       
16.26227  34.29458       16.73873  66.50890 12.48249 56.29414 14.52515 
10.21476       19.15182 
1 1 1 -15 7  3  o 160.5351 4.742219 262.7166       15.48114  273.9971       
21.97860  251.6087       21.80965  163.7468 6.600485 156.8858 6.836184 
6.860977       9.502621 
1 1 1 -15 7  4  o 257.1006 4.194490 673.3699       21.92975  669.0410       
31.53582  677.4233       30.51601  256.0088 6.057561 257.6461 5.824422 
-1.637238      8.403448 
1 1 1 -15 7  5  o 144.0894 4.887065 211.6154       14.31963  221.3490       
20.56444  202.4533       19.95149  147.1907 6.870449 140.7581 6.970285 
6.432602       9.787132 
1 1 1 -15 7  6  o 77.70681 8.850365 62.65122       13.73579  83.72530       
24.65935  53.17107       16.53923  88.84465 14.12149 70.89950 11.89265 
17.94515       18.46217 
1 1 1 -15 7  7  o 206.4999 5.001065 434.6162       21.00070  444.1881       
37.44725  430.2246       25.36482  208.2301 8.843516 205.3368 6.074543 
2.893372       10.72883 
1 1 1 -15 7  8  o 31.59995 12.34084 6.294903       11.47352  -2.664824      
16.25278  15.19582       16.19936  31.29084 13.62777 41.57916 14.98571 
-10.28832      20.25555 
1 1 1 -15 7  9  o 304.4612 4.301788 944.1946       26.63375  933.0889       
37.59752  955.3815       37.73449  302.3900 6.114209 305.9899 6.064290 
-3.599884      8.611571 
1 1 1 -15 7  10 o 249.7601 4.316422 635.4329       21.92292  642.4654       
30.79719  628.2086       31.21442  250.9174 6.035717 248.0950 6.187080 
2.822327       8.643485 
1 1 1 -15 7  11 o 137.3242 5.228764 192.2813       14.60150  174.0167       
20.43682  211.3270       20.86924  130.1935 7.754340 143.7904 7.137157 
-13.59694      10.53892 
1 1 1 -15 7  12 o 416.8748 5.535803 1772.838       46.92861  1760.951       
57.10079  1797.579       82.37487  415.1370 6.763931 418.3534 9.682779 
-3.216370      11.81131 
1 1 1 -15 7  13 o 200.1660 4.651510 408.3878       18.93370  454.3529       
26.88326  363.1470       26.67061  210.9185 6.267810 188.4664 6.959011 
22.45215       9.365537 
1 1 1 -15 7  14 o 94.08722 7.289468 91.11697       13.83805  92.21039       
19.48649  90.00461       19.65451  94.07939 10.35718 92.88235 10.59547 
1.197037       14.81672 
1 1 1 -15 7  15 o 120.3021 6.222533 148.2684       15.17061  145.7237       
20.87938  151.1143       22.07990  118.8354 8.700612 120.9547 9.042233 
-2.119240      12.54841 
1 1 1 -15 7  16 o 321.0239 4.713428 1051.011       30.76987  1066.537       
43.04391  1034.787       44.00227  322.9320 6.554645 318.0173 6.804135 
4.914734       9.447731 
1 1 1 -15 7  17 o 69.97725 10.42785 51.63209       14.38576  42.86003       
19.99819  61.03929       20.70952  62.60814 15.72794 75.27832 14.04509 
-12.67018      21.08632 
1 1 1 -15 7  18 o 112.7389 7.279293 130.8421       16.59925  126.2087       
22.97659  135.9006       24.00707  110.0128 10.39363 114.1756 10.45598 
-4.162781      14.74296 
1 1 1 -15 7  19 o 210.2587 7.590355 453.8550       32.45395  0.000000       
0.000000  453.8550       32.45395  ?        ?        210.2587 7.590355 
0.000000       7.590355 
1 1 1 -15 7  20 o 52.87661 14.46016 30.43375       15.99602  17.11286       
22.08154  45.14299       23.20373  45.72961 17.30824 63.86894 17.39505 
-18.13934      24.53901 
1 1 1 -15 7  21 o 169.1763 6.927361 293.6984       23.83190  264.8539       
29.36252  349.3837       40.79737  159.8879 9.068131 182.9324 11.01847 
-23.04456      14.27017 
1 1 1 -15 7  22 o 100.0693 9.420315 104.7192       18.94418  99.05602       
26.63467  110.5174       26.95035  95.68795 14.11154 101.4522 13.39047 
-5.764282      19.45354 
1 1 1 -15 7  23 o 112.9956 8.818584 133.4095       20.10292  188.5697       
28.62841  79.75365       28.23532  133.6978 10.61723 83.91962 17.12520 
49.77817       20.14940 
1 1 1 -15 7  24 o 63.84649 16.46404 47.21500       21.51414  37.90073       
25.68981  69.08718       39.36702  57.45931 18.94775 74.14761 23.37342 
-16.68830      30.08877 
1 1 1 -15 7  25 o 32.33815 14.17758 -0.8996182     17.85202  1.973826       
25.99109  -3.465882      24.56257  39.29847 17.17102 36.46105 16.27363 
2.837421       23.65745 
1 1 1 -15 8  1  o 138.3962 5.884655 195.6748       16.56139  197.1175       
19.68073  192.1745       30.65489  138.5950 7.005732 135.8756 11.19410 
2.719391       13.20561 
1 1 1 -15 8  2  o 189.9802 4.451873 367.9046       17.19898  385.4543       
24.46674  350.7613       24.18182  194.2294 6.194548 185.2492 6.419204 
8.980225       8.920685 
1 1 1 -15 8  3  o 116.4094 5.498759 138.2782       13.01680  139.4827       
18.32842  137.0524       18.48971  116.4520 7.784595 115.4041 7.926816 
1.047852       11.11010 
1 1 1 -15 8  4  o 265.1636 4.268940 716.3571       23.01894  735.5652       
33.67317  699.5065       31.53893  268.3994 6.169517 261.7810 5.924579 
6.618378       8.553571 
1 1 1 -15 8  5  o 77.18527 8.435778 61.73941       13.02513  80.19025       
25.00178  54.86630       15.25948  86.70274 14.70585 72.26894 10.70729 
14.43380       18.19088 
1 1 1 -15 8  6  o 177.0872 5.236993 319.7456       18.85909  315.3427       
33.22695  321.8382       22.90628  175.0864 9.366208 177.5505 6.344265 
-2.464096      11.31263 
1 1 1 -15 8  7  o 210.0120 5.047347 449.5806       21.55553  443.8958       
37.96595  452.2848       26.18522  208.1135 8.971036 210.5181 6.116673 
-2.404633      10.85786 
1 1 1 -15 8  8  o 180.9136 5.187724 333.6690       19.08532  353.0381       
34.59507  325.1949       22.88250  185.5694 9.167618 178.4888 6.304360 
7.080551       11.12610 
1 1 1 -15 8  9  o 80.66573 7.465497 67.08701       12.10728  55.85442       
17.10883  78.35500       17.13576  72.68019 11.99429 86.81966 9.881925 
-14.13947      15.54076 
1 1 1 -15 8  10 o 335.9371 4.387955 1149.717       29.97586  1133.881       
41.84779  1166.405       42.95856  333.2950 6.174365 338.0252 6.249557 
-4.730255      8.785200 
1 1 1 -15 8  11 o 84.45680 7.292150 73.46735       12.40114  65.52797       
17.45517  81.55898       17.62175  79.00870 11.17604 88.55821 9.957869 
-9.549515      14.96873 
1 1 1 -15 8  12 o 166.6533 5.567575 283.3615       18.86824  277.4751       
22.64524  296.7269       34.12244  164.7795 6.758063 169.6232 9.935796 
-4.843613      12.01630 
1 1 1 -15 8  13 o 151.9216 5.280377 235.4363       16.31308  245.3835       
22.31458  224.0176       23.90812  154.8967 7.084272 147.6715 7.991277 
7.225113       10.67930 
1 1 1 -15 8  14 o 247.6091 4.528954 624.9564       22.80426  629.2006       
31.93852  620.5425       32.57095  248.1509 6.329181 246.4045 6.500253 
1.746399       9.072586 
1 1 1 -15 8  15 o 134.9004 5.792368 185.8412       15.88989  204.3384       
22.44197  167.2457       22.50156  140.9833 7.859099 127.3289 8.743265 
13.65434       11.75628 
1 1 1 -15 8  16 o 303.3192 5.405092 939.2531       33.33915  930.5107       
40.26403  958.3177       59.45895  301.6145 6.564680 305.0611 9.584709 
-3.446594      11.61730 
1 1 1 -15 8  17 o 80.06999 9.289211 66.87753       14.84415  65.21797       
20.60649  68.66764       21.40169  78.00997 13.47717 80.04778 13.63643 
-2.037804      19.17254 
1 1 1 -15 8  18 o 60.76876 12.81328 39.90788       15.33538  -10.64965      
20.99339  97.75217       22.45535  32.52405 14.73453 96.33441 11.70305 
-63.81036      18.81669 
1 1 1 -15 8  19 o 94.33341 8.769545 92.42487       16.63004  74.09615       
24.03755  109.2515       23.03155  82.69981 14.83859 101.9696 11.29694 
-19.26977      18.64952 
1 1 1 -15 8  20 o 169.7402 6.040020 294.8644       20.84848  326.3667       
29.60948  263.8897       29.36051  178.0964 8.175685 159.6790 9.079507 
18.41747       12.21799 
1 1 1 -15 8  21 o 35.16387 14.84240 2.395712       18.19634  -14.80893      
23.21475  29.80708       29.30263  33.03670 15.16639 55.54930 20.13428 
-22.51260      25.20731 
1 1 1 -15 8  22 o 124.2244 7.753606 159.6906       19.48888  202.2448       
27.71175  118.0474       27.41354  139.1446 9.857486 104.9490 13.13255 
34.19565       16.42053 
1 1 1 -15 8  23 o 48.24267 15.82223 24.89823       17.92249  25.23700       
24.93266  24.53602       25.78109  50.67725 18.54111 50.61043 18.79487 
0.6681442E-01  26.40113 
1 1 1 -15 8  24 o 80.87555 13.96241 73.00509       22.13300  60.71813       
26.84760  99.06996       39.10309  71.50394 18.36699 89.50767 21.70676 
-18.00373      28.43466 
1 1 1 -15 8  25 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -15 9  1  o 226.3838 4.144362 522.3532       19.07895  534.9241       
26.76766  509.3720       27.20098  228.8353 5.752225 223.2590 5.991343 
5.576385       8.305677 
1 1 1 -15 9  2  o 201.8396 4.285246 415.2217       17.58870  413.5794       
24.97454  416.8379       24.77500  201.1912 6.104316 201.9939 6.031482 
-0.8026886     8.581460 
1 1 1 -15 9  3  o 94.98097 6.543762 92.63759       12.56197  68.54256       
17.64698  117.3899       17.88605  80.79377 11.02902 106.6847 8.309984 
-25.89098      13.80924 
1 1 1 -15 9  4  o 263.4554 4.896020 707.6699       26.23020  729.8287       
47.39948  697.8887       31.49168  266.7485 8.738165 261.4619 5.922922 
5.286621       10.55635 
1 1 1 -15 9  5  o 210.1432 4.919102 450.1937       21.02097  487.9502       
38.96737  434.6965       24.96501  218.1491 8.784079 206.3688 5.948895 
11.78029       10.60893 
1 1 1 -15 9  6  o 100.8704 6.961754 104.4690       14.19277  81.98782       
25.55174  114.4999       17.06788  87.65369 14.86626 105.4637 8.018446 
-17.81003      16.89086 
1 1 1 -15 9  7  o 294.1694 4.913442 882.0507       29.39238  853.4972       
51.66784  895.7120       35.73862  288.5798 8.804465 296.2709 5.931948 
-7.691132      10.61634 
1 1 1 -15 9  8  o 170.3783 5.276154 295.9945       18.28029  331.0560       
34.88868  282.7263       21.46222  179.3508 9.600810 166.4108 6.342226 
12.93994       11.50649 
1 1 1 -15 9  9  o 359.4648 5.199937 1317.479       38.01070  1294.117       
65.87531  1329.140       46.53968  355.2393 9.119062 360.8072 6.343031 
-5.567871      11.10817 
1 1 1 -15 9  10 o 84.13172 7.210454 72.88561       12.21678  65.19001       
17.22047  80.68335       17.33437  78.82975 11.04573 88.09999 9.843951 
-9.270241      14.79566 
1 1 1 -15 9  11 o 131.7966 5.263072 177.1509       14.10572  177.4201       
19.60002  176.8616       20.31624  131.5054 7.358811 131.2507 7.644956 
0.2546692      10.61119 
1 1 1 -15 9  12 o 189.2323 4.586472 364.9680       17.64921  379.1195       
24.55475  349.8428       25.38549  192.6658 6.267283 185.0115 6.747383 
7.654297       9.209018 
1 1 1 -15 9  13 o 157.0768 5.687943 251.8423       18.16848  257.1058       
22.19546  241.1533       31.62980  158.5674 6.883336 152.7157 10.24436 
5.851669       12.34209 
1 1 1 -15 9  14 o 81.28114 8.178346 68.40602       13.33428  81.44450       
18.13287  53.05296       19.67662  88.33935 10.28656 70.13947 14.28083 
18.19987       17.59987 
1 1 1 -15 9  15 o 72.94507 9.112624 55.52123       13.22244  35.08644       
17.75032  80.99646       19.81893  56.87572 15.09600 87.80698 11.36615 
-30.93125      18.89652 
1 1 1 -15 9  16 o 129.7095 7.108587 172.8038       18.67881  182.7308       
22.24747  149.0895       34.38553  133.1646 8.256328 118.5031 14.57634 
14.66147       16.75221 
1 1 1 -15 9  17 o 169.1543 5.484009 292.2718       18.86395  294.2510       
26.34238  290.1886       27.02604  169.3587 7.648851 168.1347 7.904486 
1.223969       10.99936 
1 1 1 -15 9  18 o 171.8259 6.370941 302.1996       22.26094  280.7667       
35.98097  315.4913       28.33486  164.2561 10.83291 175.2395 7.951289 
-10.98347      13.43782 
1 1 1 -15 9  19 o 171.3155 5.853617 300.1916       20.39259  306.8037       
28.33299  293.0845       29.37415  172.7321 8.066177 168.4862 8.601993 
4.245972       11.79226 
1 1 1 -15 9  20 o 28.77242 12.85449 -5.724894      15.36553  -30.11286      
21.60027  19.25854       21.86238  27.55876 13.23914 46.79085 17.32124 
-19.23209      21.80138 
1 1 1 -15 9  21 o 48.98247 16.06783 25.00305       18.48289  18.27946       
23.30750  36.39512       30.33866  46.84353 17.76965 59.25384 20.58315 
-12.41031      27.19240 
1 1 1 -15 9  22 o 36.86727 14.84863 7.700025       17.10467  26.74928       
24.03845  -11.83617      24.34375  51.63939 18.29256 34.72220 15.78360 
16.91718       24.16070 
1 1 1 -15 9  23 o 55.57594 15.42431 34.72598       18.04741  49.07084       
26.54325  22.39278       24.61183  65.08376 18.92267 48.91946 18.32476 
16.16430       26.34130 
1 1 1 -15 9  24 o 117.8211 9.743831 147.3168       23.13606  151.7562       
28.22771  138.2304       40.38381  118.4165 11.88254 108.1111 19.06581 
10.30542       22.46552 
1 1 1 -15 9  25 o 46.84565 16.22276 24.42760       18.83916  14.74420       
27.63395  32.83620       25.75082  44.93677 18.57769 53.18319 18.92287 
-8.246426      26.51802 
1 1 1 -15 10 1  o 140.2021 4.784307 200.5264       13.64033  179.8414       
18.39007  225.8236       20.33724  132.3697 6.855430 148.5420 6.732732 
-16.17230      9.608673 
1 1 1 -15 10 2  o 98.68206 6.078746 99.88121       12.13906  119.6610       
17.68643  82.26487       16.69120  107.7039 8.135289 88.94754 9.368777 
18.75636       12.40794 
1 1 1 -15 10 3  o 295.5508 4.976429 890.9323       29.90897  900.7758       
52.99484  886.3314       36.23053  296.1972 8.798348 294.5673 6.048376 
1.629944       10.67679 
1 1 1 -15 10 4  o 220.3115 4.937774 494.9425       22.12177  536.8159       
41.22805  478.0125       26.21512  228.7071 8.864651 216.3680 5.958094 
12.33913       10.68087 
1 1 1 -15 10 5  o 127.4258 5.168115 165.5954       13.39186  145.2201       
18.98164  185.7884       18.89654  118.8333 7.899966 134.6350 6.925421 
-15.80165      10.50576 
1 1 1 -15 10 6  o 404.8321 4.605026 1670.231       37.91041  1651.766       
53.21772  1689.255       54.01807  402.1249 6.507945 406.6556 6.532220 
-4.530731      9.220805 
1 1 1 -15 10 7  o 30.83289 11.74524 6.886783       10.20949  -4.231693      
14.47444  17.89520       14.40262  28.65138 12.65596 42.58820 14.19415 
-13.93682      19.01702 
1 1 1 -15 10 8  o 162.7615 4.735255 269.9960       15.67280  244.8012       
22.09147  295.5276       22.23863  154.7615 7.019565 170.1131 6.428637 
-15.35152      9.518491 
1 1 1 -15 10 9  o 108.9350 6.869354 121.7408       15.13927  69.72256       
26.88238  145.9015       18.32080  80.15195 17.01900 119.1843 7.598763 
-39.03239      18.63834 
1 1 1 -15 10 10 o 125.7377 6.248657 161.4369       15.97731  129.5981       
27.86256  177.0356       19.50230  111.2813 12.53058 131.3665 7.329669 
-20.08524      14.51687 
1 1 1 -15 10 11 o 76.59806 7.676105 60.64271       11.79576  70.45752       
16.55971  50.53319       16.80649  82.17114 10.12432 68.88804 12.45572 
13.28310       16.05138 
1 1 1 -15 10 12 o 295.4789 4.400947 889.7453       26.44381  932.2073       
37.87889  849.3765       36.93341  302.1160 6.165555 288.3535 6.298581 
13.76245       8.813976 
1 1 1 -15 10 13 o 186.9134 9.628208 360.2104       36.47200  0.000000       
0.000000  360.2104       36.47200  ?        ?        186.9134 9.628208 
0.000000       9.628208 
1 1 1 -15 10 14 o 57.22633 11.13937 34.94763       12.49670  53.54231       
17.45642  15.40061       17.89785  70.84779 12.57717 42.57383 15.68897 
28.27396       20.10794 
1 1 1 -15 10 15 o 25.15808 12.10645 -26.76830      18.24300  0.000000       
0.000000  -26.76830      18.24300  ?        ?        25.15808 12.10645 
0.000000       12.10645 
1 1 1 -15 10 16 o 69.00890 11.77787 50.69962       15.93492  58.84178       
18.92154  30.83974       29.55116  74.14610 13.02447 56.73494 20.26215 
17.41116       24.08717 
1 1 1 -15 10 17 o 150.4598 5.755197 231.3790       17.60890  243.2661       
24.94466  219.5715       24.86103  153.7009 8.008574 145.9058 8.414763 
7.795166       11.61660 
1 1 1 -15 10 18 o 117.1641 8.031335 141.7334       19.01975  115.5876       
31.32130  157.0065       23.93885  103.6085 15.32864 122.9416 9.652922 
-19.33310      18.11480 
1 1 1 -15 10 19 o 238.5498 5.110834 581.2885       24.79261  566.4030       
34.59870  596.9988       35.54452  234.9289 7.242222 241.1891 7.247087 
-6.260193      10.24549 
1 1 1 -15 10 20 o 133.9690 6.838821 184.5504       18.56898  185.8332       
26.86886  183.3776       25.69168  133.6067 9.960973 132.8336 9.575364 
0.7731018      13.81697 
1 1 1 -15 10 21 o 257.0311 5.954998 676.6982       31.12567  682.6697       
38.96210  666.1649       51.74646  257.6337 7.436839 253.3112 10.04557 
4.322433       12.49880 
1 1 1 -15 10 22 o 53.46763 14.79598 31.62256       16.63246  37.64986       
24.18610  26.21474       22.90949  58.29030 18.31243 50.86774 17.87409 
7.422562       25.58961 
1 1 1 -15 10 23 o 120.5112 8.121492 151.3418       19.78678  141.7153       
27.98222  160.9691       27.98323  114.8835 12.16266 122.9295 11.32136 
-8.046013      16.61636 
1 1 1 -15 10 24 o 71.80818 15.16706 59.08354       21.45326  58.45605       
26.43937  60.29290       36.70533  69.83609 18.37070 69.22116 22.64006 
0.6149292      29.15570 
1 1 1 -15 10 25 o 89.89541 12.09473 89.66651       21.54877  101.9479       
36.53287  83.11380       26.68527  89.46548 20.51763 83.81934 16.24236 
5.646141       26.16844 
1 1 1 -15 11 1  o 218.8620 4.173888 488.3076       18.57644  511.5214       
26.79903  466.8372       25.77311  223.7153 5.890767 213.7132 5.930398 
10.00209       8.358873 
1 1 1 -15 11 2  o 252.8755 4.214198 651.7984       21.67071  619.8708       
30.15623  685.8925       31.16258  246.2865 6.021225 259.0936 5.914600 
-12.80702      8.440239 
1 1 1 -15 11 3  o 167.2752 5.391713 285.5865       18.34044  291.3329       
32.90474  282.9968       22.09007  167.9749 9.673927 166.3677 6.529451 
1.607178       11.67127 
1 1 1 -15 11 4  o 182.2400 4.324011 338.4635       16.02440  323.1104       
22.08632  355.5284       23.28503  177.8548 6.106698 186.5593 6.137739 
-8.704575      8.658152 
1 1 1 -15 11 5  f 49.76017 10.47114 26.43665       10.26020  39.46781       
14.32480  12.70866       14.70281  60.76916 12.01765 38.78238 14.23067 
21.98678       18.62621 
1 1 1 -15 11 6  o 185.7565 4.354600 351.5969       16.44916  354.6298       
23.11051  348.4827       23.41779  186.3634 6.098142 184.7236 6.234078 
1.639801       8.720726 
1 1 1 -15 11 7  o 228.5132 4.168654 531.9651       19.37130  493.9610       
26.89136  572.9568       27.92836  219.9703 6.011699 236.9408 5.796344 
-16.97052      8.350936 
1 1 1 -15 11 8  o 20.11677 9.516447 -12.01584      10.30508  -10.79239      
14.05051  -13.44009      15.15979  25.39753 11.71060 25.72571 11.96613 
-0.3281784     16.74295 
1 1 1 -15 11 9  o 242.5860 4.301445 599.5791       21.21932  597.2708       
29.78974  601.9565       30.23248  241.8745 6.056547 242.8106 6.122864 
-0.9360504     8.612272 
1 1 1 -15 11 10 f 228.8721 5.010075 534.1269       23.31785  451.6691       
39.44360  578.4261       28.91070  209.7486 9.247538 238.0316 5.972727 
-28.28299      11.00865 
1 1 1 -15 11 11 o 104.1483 5.944887 111.1011       12.53842  104.2511       
17.04401  119.1807       18.51067  100.4973 8.417521 107.4768 8.539861 
-6.979485      11.99099 
1 1 1 -15 11 12 o 91.48178 6.891222 86.06222       12.72568  73.14828       
17.35353  101.0858       18.71741  83.64458 10.42886 98.73785 9.436960 
-15.09327      14.06475 
1 1 1 -15 11 13 o 258.8402 5.132977 683.5042       27.01795  654.5219       
32.32706  750.6520       49.20573  253.0824 6.281349 270.3348 8.950809 
-17.25244      10.93491 
1 1 1 -15 11 14 o 224.8113 4.584681 515.3197       20.95939  500.4097       
29.18393  531.2018       30.12037  221.2247 6.487221 227.9272 6.498493 
-6.702576      9.182290 
1 1 1 -15 11 15 o 112.7755 7.298115 130.8210       16.64726  132.6096       
19.65352  126.2788       31.31931  113.2968 8.594465 108.9686 14.49331 
4.328171       16.84995 
1 1 1 -15 11 16 o 130.4853 6.112371 174.0957       16.21895  138.8264       
22.26385  213.9785       23.67527  115.6773 9.549955 144.1330 8.110528 
-28.45567      12.52926 
1 1 1 -15 11 17 o 113.1674 6.943660 131.7161       15.90221  121.0490       
22.06560  143.2434       22.93800  107.7511 10.19133 117.4200 9.693086 
-9.668861      14.06482 
1 1 1 -15 11 18 o 163.4780 6.380810 273.6447       21.21224  295.4322       
36.10260  262.1576       26.21433  168.5190 10.58892 159.4684 8.110486 
9.050568       13.33811 
1 1 1 -15 11 19 o 224.9594 5.128492 517.0141       23.46093  516.8123       
33.18036  517.2159       33.17717  224.3763 7.271980 224.4649 7.268411 
-0.8865356E-01 10.28161 
1 1 1 -15 11 20 o 229.5210 6.136584 539.5104       28.64181  514.4628       
50.71574  551.2405       34.70638  221.9788 11.27217 231.6353 7.368062 
-9.656464      13.46663 
1 1 1 -15 11 21 o 64.99881 13.51503 46.15231       17.28132  43.69008       
24.30279  48.67074       24.57851  62.53285 18.08501 65.81189 17.89410 
-3.279037      25.44143 
1 1 1 -15 11 22 f 122.6860 7.562503 155.8713       18.77543  148.3151       
26.68877  163.2750       26.41824  118.3825 11.22035 124.5382 10.53026 
-6.155693      15.38774 
1 1 1 -15 11 23 o 93.52179 10.16622 92.88617       19.02268  104.5310       
27.49406  82.19286       26.34685  97.36951 14.31271 85.45835 15.74081 
11.91116       21.27503 
1 1 1 -15 11 24 o 81.11304 11.45938 71.79125       18.37546  90.10902       
26.37232  54.50671       25.61775  88.98671 15.11443 67.31271 18.25445 
21.67400       23.69960 
1 1 1 -15 11 25 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -15 12 1  o 150.6835 4.709517 231.6551       14.43090  233.1038       
20.02639  230.0904       20.81310  150.9165 6.525509 149.8913 6.828245 
1.025253       9.444956 
1 1 1 -15 12 2  o 402.2916 5.365176 1652.388       43.89109  1646.110       
76.98005  1655.412       53.42588  399.7734 9.469191 402.2569 6.531257 
-2.483521      11.50317 
1 1 1 -15 12 3  o 58.35461 9.663580 35.95895       11.06609  26.05885       
16.37394  44.28280       15.01397  49.60613 14.97552 64.40587 11.90196 
-14.79974      19.12911 
1 1 1 -15 12 4  o 92.18339 6.109684 87.19356       11.38817  103.0992       
15.96873  70.73191       16.24546  99.98862 7.918356 82.31830 9.903474 
17.67033       12.67987 
1 1 1 -15 12 5  o 265.6841 4.144336 719.2312       22.39092  684.7391       
30.86788  757.5341       32.52843  258.9624 5.861633 272.3778 5.872728 
-13.41547      8.297451 
1 1 1 -15 12 6  o 137.7041 4.791619 193.3288       13.41777  182.0884       
18.88258  204.7934       19.07001  133.2566 6.992630 141.5531 6.624911 
-8.296539      9.632566 
1 1 1 -15 12 7  o 171.9655 4.419878 301.3622       15.45621  269.0980       
20.98255  339.6381       22.85393  162.3033 6.357399 182.3650 6.162656 
-20.06172      8.854087 
1 1 1 -15 12 8  o 242.4718 4.199807 598.9997       20.70818  613.9194       
29.30299  584.1151       29.26862  245.2347 5.875957 239.1847 6.017519 
6.049973       8.410553 
1 1 1 -15 12 9  o 131.3633 5.142867 175.9955       13.73823  151.9359       
18.76339  203.7988       20.17041  121.5972 7.626764 141.1721 7.026104 
-19.57483      10.36984 
1 1 1 -15 12 10 o 244.3860 4.979895 609.0427       24.74845  542.6356       
41.29325  646.2673       30.91627  229.9574 8.830398 251.5696 6.043346 
-21.61220      10.70037 
1 1 1 -15 12 11 o 251.8987 5.108017 647.2228       26.16554  652.0590       
45.93870  644.9005       31.83391  252.0077 8.964241 251.2519 6.230589 
0.7557373      10.91686 
1 1 1 -15 12 12 o 162.8339 4.875864 270.4060       16.14536  256.4200       
22.12709  286.3309       23.61107  158.3327 6.872302 167.3028 6.940025 
-8.970123      9.766908 
1 1 1 -15 12 13 o 274.2516 4.466317 766.7614       24.90865  773.5939       
35.10279  759.8321       35.35081  275.1198 6.274345 272.6386 6.376181 
2.481140       8.945562 
1 1 1 -15 12 14 o 101.7091 7.522774 106.5701       15.44889  107.9754       
18.69937  103.5485       27.41993  102.0766 9.103991 98.67078 14.06349 
3.405823       16.75304 
1 1 1 -15 12 15 o 105.1633 7.817330 114.0602       16.59809  106.2245       
19.58554  134.0304       31.26710  101.0859 9.644832 112.4313 13.97734 
-11.34532      16.98202 
1 1 1 -15 12 16 o 270.6823 4.658028 747.4972       25.63973  728.3414       
35.66066  767.9973       36.89073  266.7453 6.574172 273.8970 6.623362 
-7.151703      9.332130 
1 1 1 -15 12 17 f 345.3979 4.830749 1217.739       33.93014  1210.338       
47.61039  1225.377       48.36749  343.6864 6.812209 345.7889 6.878457 
-2.102509      9.680876 
1 1 1 -15 12 18 o 127.1558 6.610203 166.1108       17.03344  158.3337       
23.55571  174.6341       24.66007  123.4671 9.453789 129.7120 9.413049 
-6.244911      13.34090 
1 1 1 -15 12 19 o 275.8560 4.955092 777.2615       27.79621  749.4674       
38.71019  806.8469       39.93811  270.2519 7.043767 280.4210 7.003667 
-10.16910      9.933077 
1 1 1 -15 12 20 o 51.50375 16.02010 28.42350       18.56172  14.41434       
33.64679  34.55208       22.25448  50.58115 20.65880 56.44394 17.53891 
-5.862789      27.09980 
1 1 1 -15 12 21 o 144.5833 6.688847 214.6824       19.66621  216.3042       
27.80776  213.0596       27.81670  144.0930 9.544160 142.9756 9.623361 
1.117386       13.55360 
1 1 1 -15 12 22 o 71.02123 12.39490 54.76845       17.25002  57.13143       
25.16187  52.67303       23.69462  70.75123 17.56900 68.05502 17.13293 
2.696205       24.53990 
1 1 1 -15 12 23 o 119.2118 8.119783 148.3944       19.56684  144.4864       
27.77430  152.2452       27.57020  115.8788 11.95849 119.2097 11.51647 
-3.330894      16.60225 
1 1 1 -15 12 24 o 83.43867 11.36691 76.00507       18.78493  84.72829       
27.14719  67.99097       26.02041  85.36436 16.23181 75.62904 17.29501 
9.735321       23.71896 
1 1 1 -15 12 25 o 113.2705 10.24961 139.1351       23.35315  133.2929       
39.00339  142.4000       29.15722  103.3152 19.27361 112.5595 12.97596 
-9.244293      23.23462 
1 1 1 -15 13 1  o 154.5324 4.640114 243.6460       14.58141  264.0195       
20.83562  224.0900       20.41332  160.6175 6.379139 147.9109 6.786752 
12.70659       9.314151 
1 1 1 -15 13 2  o 187.9052 5.140277 360.4311       19.64160  282.7963       
33.45206  401.2779       24.26467  165.2450 10.00217 198.1208 6.022721 
-32.87584      11.67547 
1 1 1 -15 13 3  o 234.5333 4.119388 560.6276       19.64665  551.7089       
27.35106  570.1349       28.23936  232.3886 5.787723 236.2197 5.878781 
-3.831085      8.249716 
1 1 1 -15 13 4  o 240.6342 4.130251 590.1071       20.21088  579.7163       
28.35280  600.8416       28.81786  238.2316 5.852551 242.5352 5.842994 
-4.303635      8.270001 
1 1 1 -15 13 5  o 116.7983 5.198857 139.1874       12.34797  123.8943       
17.24109  155.2928       17.69303  109.6911 7.779799 122.9851 7.104802 
-13.29405      10.53582 
1 1 1 -15 13 6  o 176.9290 4.357128 319.0381       15.67656  316.9028       
21.70107  321.3684       22.67072  176.1427 6.058499 177.3486 6.286173 
-1.205887      8.730486 
1 1 1 -15 13 7  f 215.7394 4.158172 474.2343       18.24246  462.4143       
25.16192  487.3314       26.48648  212.8206 5.814047 218.4562 5.962226 
-5.635559      8.327742 
1 1 1 -15 13 8  f 39.14564 11.83944 15.96708       10.22723  27.59164       
14.00203  2.672955       14.97381  50.64465 13.39129 32.63468 13.59841 
18.00997       19.08516 
1 1 1 -15 13 9  o 161.2033 4.588989 264.8981       15.04327  279.5526       
20.96397  249.3423       21.59905  165.4242 6.231937 156.1602 6.801628 
9.263977       9.224922 
1 1 1 -15 13 10 o 318.6257 4.330276 1034.640       28.05743  1002.349       
38.68501  1070.478       40.75420  313.2640 6.072686 323.7063 6.191129 
-10.44226      8.672231 
1 1 1 -15 13 11 o 68.02432 9.936734 48.60138       13.34000  26.98837       
23.01473  59.53659       16.37050  52.34049 17.94158 75.18085 11.03641 
-22.84037      21.06425 
1 1 1 -15 13 12 o 74.75562 7.883488 57.90481       11.80361  58.09066       
15.87492  57.67503       17.65175  74.27436 10.82898 73.67568 12.20934 
0.5986786      16.31977 
1 1 1 -15 13 13 o 206.8180 4.547534 436.1387       19.12564  436.6296       
26.67793  435.6196       27.43336  206.6582 6.348163 206.3849 6.536564 
0.2732391      9.111852 
1 1 1 -15 13 14 o 177.6940 5.694833 322.5383       20.57809  314.5329       
24.56433  341.3768       37.68220  175.2867 6.891352 181.5964 10.24601 
-6.309692      12.34793 
1 1 1 -15 13 15 o 138.0686 6.519526 195.0748       18.30469  196.2005       
22.12082  192.6299       32.60049  138.0376 7.913502 135.6946 11.93578 
2.342926       14.32083 
1 1 1 -15 13 16 o 149.2130 5.549554 227.5059       16.83899  219.4181       
23.46353  236.0956       24.18051  145.9503 7.935462 151.4241 7.879919 
-5.473831      11.18323 
1 1 1 -15 13 17 o 31.06593 13.38033 -0.6884149     15.32218  9.233731       
24.90001  -6.735048      19.43809  43.51836 17.77275 32.45362 14.48152 
11.06474       22.92564 
1 1 1 -15 13 18 o 36.62184 13.96627 10.21629       14.44606  7.036370       
20.28924  13.48588       20.57335  39.18786 16.02808 42.78443 16.57616 
-3.596573      23.05794 
1 1 1 -15 13 19 o 141.7408 6.440557 205.8918       18.56392  206.1098       
26.04105  205.6665       26.47092  140.9765 9.132753 140.7732 9.299324 
0.2033539      13.03398 
1 1 1 -15 13 20 o 63.93676 14.88623 45.06451       18.99309  38.84217       
33.82895  47.92881       22.95198  61.37210 21.70457 65.52395 17.05861 
-4.151852      27.60587 
1 1 1 -15 13 21 o 91.59132 9.449501 87.93951       17.34723  76.34589       
24.80034  99.04582       24.27353  83.31869 15.19737 96.15347 12.72690 
-12.83478      19.82256 
1 1 1 -15 13 22 o 42.40067 15.27224 17.15989       16.82223  26.18847       
24.18669  8.699951       23.41265  50.99856 18.31852 41.58024 17.13636 
9.418316       25.08432 
1 1 1 -15 13 23 o 45.68647 16.61594 20.73379       19.98105  16.88149       
23.69970  30.20230       37.15554  45.17377 17.71026 56.28165 22.14036 
-11.10788      28.35223 
1 1 1 -15 13 24 o 56.54322 15.28957 37.35541       18.00261  38.65959       
25.45409  36.05012       25.46498  56.89339 18.86542 55.33744 18.87296 
1.555946       26.68507 
1 1 1 -15 13 25 o 71.99742 14.94238 61.18642       21.16060  110.3499       
35.92654  35.07088       26.18446  93.15675 19.58632 53.71893 19.08494 
39.43782       27.34701 
1 1 1 -15 14 1  o 93.71837 7.332383 90.64018       13.86263  33.81693       
24.71228  116.7315       16.74550  56.73381 18.57775 106.3325 7.798671 
-49.59864      20.14825 
1 1 1 -15 14 2  o 198.4788 4.240389 401.6706       17.11478  377.2715       
23.86921  427.4880       24.55319  192.0662 6.111329 204.4890 5.904549 
-12.42278      8.497766 
1 1 1 -15 14 3  o 194.1039 4.219419 384.0890       16.65476  360.3774       
22.71589  411.6510       24.49092  187.7736 5.948996 200.6783 6.001410 
-12.90469      8.450295 
1 1 1 -15 14 4  o 88.01139 6.280180 79.59084       11.16612  98.77899       
16.05898  61.63089       15.53653  97.77966 8.150667 76.64898 10.22256 
21.13068       13.07417 
1 1 1 -15 14 5  o 243.2890 4.086936 603.1730       20.21957  584.5787       
28.01711  623.3840       29.20973  239.2454 5.758752 247.0480 5.814265 
-7.802567      8.183453 
1 1 1 -15 14 6  o 154.7881 4.491646 244.2512       14.13821  236.9996       
19.66122  252.0162       20.34523  152.2739 6.349412 157.0211 6.371667 
-4.747162      8.995175 
1 1 1 -15 14 7  o 193.0813 4.228295 379.9197       16.60187  369.1953       
22.83028  391.9552       24.18545  190.1310 5.904822 195.8790 6.071763 
-5.748016      8.469547 
1 1 1 -15 14 8  o 111.8142 5.403233 127.5905       12.28576  118.6198       
17.39084  136.5279       17.35857  107.2804 8.029897 115.2382 7.447240 
-7.957779      10.95174 
1 1 1 -15 14 9  o 220.7846 4.255729 496.7745       19.10707  470.8008       
26.43809  525.1744       27.64529  214.6823 6.055951 226.7512 5.995427 
-12.06883      8.521718 
1 1 1 -15 14 10 o 149.6627 4.805720 228.4256       14.62593  230.8559       
20.43836  225.8747       20.93912  150.2471 6.689422 148.5860 6.929935 
1.661072       9.631841 
1 1 1 -15 14 11 o 111.6544 6.889175 128.0313       15.56567  189.2656       
28.08447  100.8805       18.70078  135.1112 10.29929 98.59065 9.443181 
36.52051       13.97316 
1 1 1 -15 14 12 o 216.9340 5.208642 480.2707       22.97754  453.6564       
39.85161  493.5245       28.12283  209.9809 9.332859 219.7200 6.294164 
-9.739105      11.25694 
1 1 1 -15 14 13 o 191.0287 4.665665 372.1867       18.12440  387.2340       
25.63505  357.1471       25.62849  194.5735 6.478867 186.8151 6.746204 
7.758392       9.353448 
1 1 1 -15 14 14 o 198.9441 6.594377 405.0319       26.67818  405.0319       
26.67818  0.000000       0.000000  198.9441 6.594377 ?        ?        
0.000000       6.594377 
1 1 1 -15 14 15 o 196.1248 4.879115 392.5663       19.45920  383.3254       
26.80140  402.8685       28.29852  193.4596 6.812646 198.2858 7.018118 
-4.826202      9.780907 
1 1 1 -15 14 16 o 157.7334 5.435791 254.2267       17.43564  256.9512       
24.20498  251.2883       25.13684  158.2187 7.523075 156.1870 7.940483 
2.031769       10.93837 
1 1 1 -15 14 17 o 150.1017 6.482645 230.8075       19.78743  271.6277       
32.72444  207.2807       24.84368  161.7117 10.00036 141.5751 8.671124 
20.13663       13.23615 
1 1 1 -15 14 18 o 169.0028 5.627478 292.1438       19.34012  288.2464       
26.88339  296.3247       27.84401  167.3904 7.897727 169.6763 8.069732 
-2.285919      11.29135 
1 1 1 -15 14 19 o 238.3730 5.138076 580.7457       24.90628  573.9429       
35.08362  587.6574       35.36366  236.3515 7.299526 239.1683 7.271133 
-2.816833      10.30303 
1 1 1 -15 14 20 o 32.64640 14.38801 -3.925258      18.60361  11.95514       
33.90499  -10.76586      22.25257  49.61916 20.55093 33.41041 15.14994 
16.20874       25.53158 
1 1 1 -15 14 21 o 113.9328 8.035990 134.7089       18.49892  133.3003       
26.71532  136.0065       25.64061  111.9992 11.91276 113.3946 11.26873 
-1.395393      16.39811 
1 1 1 -15 14 22 o 76.32047 11.99420 63.05313       18.00103  68.71841       
25.09179  57.04529       25.83927  77.92533 16.35565 70.27054 18.00187 
7.654793       24.32231 
1 1 1 -15 14 23 o 44.55321 16.74199 18.66974       20.57548  17.64192       
24.60974  21.05675       37.50393  45.83199 18.02227 52.63128 21.68944 
-6.799297      28.19989 
1 1 1 -15 14 24 o 71.55719 14.09453 58.69479       19.77981  45.45240       
27.02474  73.97354       29.02835  60.66551 19.39180 77.55711 18.63730 
-16.89159      26.89593 
1 1 1 -15 15 1  o 89.37321 7.957501 82.73685       14.31094  94.95779       
26.37667  77.63857       17.03650  94.05161 14.23647 86.11217 9.909623 
7.939445       17.34583 
1 1 1 -15 15 2  o 259.7679 4.169060 688.0547       22.02293  679.0905       
30.75795  697.4848       31.54730  257.7125 5.869087 261.1617 5.940205 
-3.449158      8.350581 
1 1 1 -15 15 3  o 281.5725 4.165474 808.2838       23.85098  805.9986       
33.29831  810.6915       34.17972  280.8145 5.831110 281.5957 5.968855 
-0.7812195     8.344403 
1 1 1 -15 15 4  o 94.37176 6.141539 91.43493       11.72193  103.0282       
16.36152  79.20916       16.80188  99.85718 8.127891 87.15897 9.641152 
12.69820       12.61009 
1 1 1 -15 15 5  o 273.7693 4.147970 763.9152       23.09255  767.5490       
32.45841  760.1909       32.86090  274.0974 5.823324 272.7576 5.924491 
1.339752       8.307268 
1 1 1 -15 15 6  o 205.3859 4.133706 429.9096       17.26480  438.7982       
24.16566  420.6427       24.67453  207.2750 5.733242 202.9017 5.980146 
4.373322       8.284456 
1 1 1 -15 15 7  o 78.93830 6.848091 64.22618       10.88389  63.93314       
14.86704  64.56462       15.97713  78.26258 9.538898 78.49914 10.25381 
-0.2365570     14.00468 
1 1 1 -15 15 8  o 160.8157 4.545097 263.6765       14.86357  227.7397       
20.32646  304.9758       21.79033  149.2159 6.698770 172.7477 6.202974 
-23.53181      9.129644 
1 1 1 -15 15 9  o 74.25498 7.344501 57.00569       10.94480  55.10675       
14.98390  59.17770       16.02507  72.37294 10.48669 74.97029 10.82494 
-2.597351      15.07150 
1 1 1 -15 15 10 o 121.5638 5.211541 150.8085       12.88314  150.3660       
17.95505  151.2780       18.49601  120.9507 7.334721 121.2820 7.536757 
-0.3312225     10.51669 
1 1 1 -15 15 11 o 180.0352 4.538071 330.5024       16.61423  334.7629       
23.31823  326.1093       23.67803  180.9473 6.337121 178.5642 6.520783 
2.383087       9.092839 
1 1 1 -15 15 12 o 152.7720 5.921885 238.4943       18.39735  217.7836       
31.61281  249.1006       22.62289  144.7654 10.81673 155.9570 7.133320 
-11.19167      12.95708 
1 1 1 -15 15 13 o 92.67442 7.004045 88.45013       13.10213  100.3686       
17.92730  74.78488       19.19612  98.35536 9.065279 84.20680 11.51176 
14.14856       14.65264 
1 1 1 -15 15 14 o 51.72755 14.76564 28.85674       16.29891  28.85674       
16.29891  0.000000       0.000000  51.72755 14.76564 ?        ?        
0.000000       14.76564 
1 1 1 -15 15 15 o 165.1399 5.156332 278.4962       17.31587  253.5392       
23.56370  307.7948       25.53113  157.2104 7.370731 173.2421 7.247117 
-16.03165      10.33675 
1 1 1 -15 15 16 o 177.7683 5.158578 322.8115       18.64815  312.9523       
26.02673  333.2126       26.73237  174.6206 7.329471 180.1921 7.295419 
-5.571533      10.34139 
1 1 1 -15 15 17 o 108.4444 8.002861 121.6284       17.52364  125.4949       
27.98785  119.1354       22.47398  108.7377 12.90940 106.6776 10.49577 
2.060036       16.63772 
1 1 1 -15 15 18 o 81.84851 9.267224 70.08942       15.15273  46.31329       
20.99743  95.92695       21.88875  64.66365 16.04463 95.26688 11.53365 
-30.60323      19.75994 
1 1 1 -15 15 19 o 179.9807 5.572703 331.4427       20.39592  317.9732       
28.47437  345.6354       29.22879  175.7102 7.969033 183.2301 7.844452 
-7.519867      11.18217 
1 1 1 -15 15 20 o 72.53264 13.49211 57.23586       19.16810  121.4336       
36.94780  33.59476       22.42139  104.3743 18.06164 55.63345 17.65049 
48.74084       25.25397 
1 1 1 -15 15 21 o 105.6732 8.467064 116.3463       18.04206  137.3439       
26.30411  97.69117       24.79350  113.7579 11.53008 95.13009 13.16972 
18.62784       17.50384 
1 1 1 -15 15 22 o 47.23519 16.68331 22.75729       19.98091  12.11157       
25.63540  39.23479       31.89322  44.24023 18.04650 59.64871 21.07665 
-15.40848      27.74710 
1 1 1 -15 15 23 o 35.72561 15.23336 3.194495       19.49894  11.45568       
23.96614  -12.98214      33.53675  42.39243 17.38870 39.93410 18.29448 
2.458328       25.23995 
1 1 1 -15 15 24 o 40.09917 15.51842 14.45711       18.01583  34.76114       
26.10672  -4.002960      24.89304  54.13641 19.07546 36.27214 16.27195 
17.86427       25.07289 
1 1 1 -15 16 1  f 39.87062 14.30205 14.51991       14.73850  0.4678370      
23.22646  23.99232       19.06967  38.49517 16.52524 48.58643 16.33319 
-10.09126      23.23481 
1 1 1 -15 16 2  f 115.7528 5.209207 136.8647       12.26181  129.8951       
16.95748  144.5023       17.75138  112.2528 7.471371 118.4351 7.407788 
-6.182266      10.52125 
1 1 1 -15 16 3  o 235.4755 4.152771 565.3545       19.88544  551.7261       
27.64331  579.9700       28.62698  232.3023 5.851742 238.1607 5.910905 
-5.858459      8.317553 
1 1 1 -15 16 4  f 45.42718 10.89901 22.20420       9.939386  20.36134       
13.92059  24.12079       14.19630  44.23712 13.89212 47.50763 13.84613 
-3.270504      19.61393 
1 1 1 -15 16 5  o 83.95132 6.385248 72.50239       10.81904  75.66978       
15.24595  69.28930       15.35551  85.31841 8.919246 81.49100 9.441110 
3.827415       12.98798 
1 1 1 -15 16 6  o 211.5673 4.090549 456.2086       17.59874  439.6527       
24.47987  473.9177       25.31804  207.4407 5.803150 215.3766 5.780696 
-7.935944      8.191031 
1 1 1 -15 16 7  o 256.0737 4.105209 668.3188       21.37724  664.1655       
29.71860  672.7720       30.77293  254.9896 5.731317 256.6016 5.897366 
-1.611984      8.223559 
1 1 1 -15 16 8  o 249.4685 4.137417 634.2975       20.98923  616.8579       
29.17982  652.9949       30.21367  245.7237 5.839613 252.8111 5.877005 
-7.087387      8.284943 
1 1 1 -15 16 9  o 238.2022 4.187602 578.3378       20.28442  564.0428       
27.96145  594.2181       29.47106  234.9651 5.852009 241.1367 6.010090 
-6.171616      8.388515 
1 1 1 -15 16 10 o 114.2482 5.559118 133.2983       12.91537  127.7554       
17.52905  139.8810       19.10238  111.3481 7.790570 116.4729 8.115842 
-5.124794      11.24988 
1 1 1 -15 16 11 f 36.99940 12.19407 13.64174       10.64058  5.875785       
14.30690  23.25494       15.91777  33.81046 13.59322 47.23153 14.85898 
-13.42107      20.13865 
1 1 1 -15 16 12 o 277.8810 5.139477 788.2227       29.04218  831.5431       
52.30725  768.9166       34.91898  284.2444 9.049375 274.1957 6.262526 
10.04868       11.00502 
1 1 1 -15 16 13 f 123.8206 6.396815 157.2858       16.05174  151.0895       
19.33516  171.0265       28.79294  121.0664 7.896917 128.0021 11.17360 
-6.935738      13.68249 
1 1 1 -15 16 14 f 204.6677 5.301604 427.8580       22.06521  444.2542       
26.61572  391.8217       39.45813  208.3612 6.281597 194.4830 10.01104 
13.87820       11.81860 
1 1 1 -15 16 15 f 199.1561 4.853838 404.9144       19.65759  384.9561       
26.31911  430.0955       29.56283  193.8374 6.677013 204.7856 7.098968 
-10.94814      9.745658 
1 1 1 -15 16 16 o 97.11956 8.470995 97.86643       16.56238  143.2953       
27.57602  72.23159       20.71480  116.6979 11.78159 82.17580 12.81409 
34.52209       17.40709 
1 1 1 -15 16 17 o 164.5093 5.445949 276.7439       18.21862  291.0275       
25.60772  262.1039       25.92525  168.2771 7.483323 159.3752 8.024993 
8.901886       10.97272 
1 1 1 -15 16 18 o 152.8306 5.833320 239.1156       18.12915  264.7041       
26.05241  215.0911       25.24370  160.3227 7.991005 144.1151 8.653832 
16.20758       11.77901 
1 1 1 -15 16 19 o 143.1543 6.347105 210.1409       18.47700  221.2584       
26.75683  200.0068       25.54605  145.9899 9.057521 138.7608 9.103745 
7.229065       12.84200 
1 1 1 -15 16 20 o 190.2646 5.708236 370.8790       22.08571  414.1529       
31.98838  331.4598       30.53044  200.3847 7.850119 179.0883 8.383288 
21.29645       11.48494 
1 1 1 -15 16 21 o 42.25190 15.12293 17.11847       16.47034  30.03349       
23.19069  3.973975       23.39581  53.08554 18.01094 39.55799 16.77069 
13.52755       24.60996 
1 1 1 -15 16 22 o 181.0949 7.085405 339.1107       26.09290  336.8209       
32.95051  342.9610       42.72800  179.3232 9.065378 179.1617 11.79372 
0.1615143      14.87525 
1 1 1 -15 16 23 o 56.41096 16.90756 37.33218       20.92674  27.03513       
25.06047  61.05342       38.03657  50.46404 18.56954 69.05917 23.06820 
-18.59513      29.61367 
1 1 1 -15 16 24 o 24.24599 11.75577 -26.23685      18.01407  -61.86351      
24.81716  13.43948       26.18969  24.00616 12.01854 43.36935 18.02034 
-19.36319      21.66052 
1 1 1 -15 17 1  o 78.89821 8.534633 64.88816       13.47493  78.82471       
22.70692  57.31246       16.74140  85.64623 13.48342 73.31082 11.61713 
12.33541       17.79776 
1 1 1 -15 17 2  f 165.4681 4.944681 279.6068       16.63811  269.2652       
20.86067  297.6870       27.58264  162.1543 6.326280 170.1419 7.972106 
-7.987671      10.17724 
1 1 1 -15 17 3  o 66.77816 7.756328 46.39906       10.33657  61.62033       
14.73044  31.63335       14.50832  76.66882 9.662741 53.93434 13.30955 
22.73447       16.44727 
1 1 1 -15 17 4  o 207.7700 4.108273 440.1203       17.35776  469.8296       
24.79891  411.5857       24.30372  214.4005 5.687945 200.6209 5.957242 
13.77960       8.236592 
1 1 1 -15 17 5  o 364.2603 4.373601 1353.126       32.39682  1374.427       
46.15030  1332.431       45.48892  366.5695 6.191085 360.9234 6.197822 
5.646118       8.760282 
1 1 1 -15 17 6  o 179.2816 4.180655 327.6737       15.24163  337.1492       
21.25351  317.6411       21.86954  181.6409 5.753943 176.2527 6.101722 
5.388138       8.386827 
1 1 1 -15 17 7  o 185.9191 4.200211 352.3771       15.87986  340.5197       
21.50340  366.6003       23.55103  182.5489 5.792640 189.3568 6.116145 
-6.807846      8.423889 
1 1 1 -15 17 8  o 65.21274 8.146947 44.32071       10.56814  44.37856       
14.47626  44.25469       15.46380  64.53516 11.45016 64.25054 12.28326 
0.2846222      16.79239 
1 1 1 -15 17 9  o 197.4341 4.289577 397.4153       17.22217  413.1517       
23.90417  380.4306       24.83410  201.0714 5.846177 192.8610 6.332168 
8.210403       8.618244 
1 1 1 -15 17 10 o 176.8109 4.466592 318.8093       16.05967  327.2054       
22.42357  309.9671       23.01146  178.8839 6.164275 174.0529 6.501470 
4.831024       8.959208 
1 1 1 -15 17 11 o 24.96542 10.87884 -1.745354      10.36983  -0.8354652     
13.99046  -2.854696      15.44794  29.67103 12.78257 30.21735 13.21959 
-0.5463257     18.38890 
1 1 1 -15 17 12 o 66.77132 11.13183 47.37573       14.58282  104.6296       
26.89439  23.53249       17.35569  99.14238 13.70645 47.82631 15.56442 
51.31607       20.73929 
1 1 1 -15 17 13 f 35.45010 13.46743 9.575692       13.40011  12.63167       
15.95115  2.247048       24.70179  39.38354 14.75245 40.44770 17.19377 
-1.064152      22.65525 
1 1 1 -15 17 14 o 89.60103 7.391640 82.93324       13.34785  73.93478       
17.94505  94.07751       19.97038  83.80049 10.78043 94.74623 10.54393 
-10.94574      15.07952 
1 1 1 -15 17 15 o 164.8344 5.867001 277.9726       19.66598  283.8712       
23.65688  264.7782       35.38169  166.3586 6.992955 159.2949 10.98981 
7.063736       13.02602 
1 1 1 -15 17 16 o 72.14363 11.19952 55.36128       15.89767  34.05259       
25.25678  69.34339       20.45907  56.78474 18.79037 80.39059 12.95525 
-23.60584      22.82360 
1 1 1 -15 17 17 o 35.21381 13.59953 8.946784       13.81356  4.421248       
19.43226  13.56962       19.64005  37.15575 15.48746 42.15023 16.23345 
-4.994484      22.43627 
1 1 1 -15 17 18 o 181.3035 5.467697 336.3008       20.15868  333.4126       
28.19627  339.3207       28.83171  179.9757 7.704176 181.5326 7.810238 
-1.556870      10.97060 
1 1 1 -15 17 19 o 147.1906 6.275216 222.1971       18.78280  224.3401       
26.64250  220.0795       26.48398  146.9864 8.956188 145.5671 8.990828 
1.419250       12.69048 
1 1 1 -15 17 20 o 61.83776 13.43109 42.03114       16.40602  21.34683       
22.87502  63.94040       23.54261  48.01493 17.72907 75.77792 15.79006 
-27.76300      23.74123 
1 1 1 -15 17 21 o 123.8715 7.756286 159.3433       19.43936  197.4740       
27.93397  123.5368       27.06925  136.9960 10.09824 107.1032 12.67440 
29.89281       16.20539 
1 1 1 -15 17 22 o 28.54969 13.32327 -15.35623      19.04030  -40.38019      
24.01211  27.02678       31.24986  27.11366 13.24104 53.06694 20.46589 
-25.95328      24.37577 
1 1 1 -15 17 23 o 30.06013 13.50230 -5.131330      17.19770  -2.070843      
24.35801  -8.173401      24.28460  36.86444 16.34406 34.78264 15.79307 
2.081799       22.72773 
1 1 1 -15 17 24 o 40.79793 16.17757 14.59165       19.98469  28.91733       
32.34346  5.744583       25.41724  51.67665 20.55235 39.67971 17.16143 
11.99694       26.77524 
1 1 1 -15 18 1  o 70.09377 8.967821 51.54380       12.48950  81.95478       
25.60367  42.04798       14.30716  86.73853 15.06214 62.51788 11.68335 
24.22066       19.06224 
1 1 1 -15 18 2  o 107.3355 5.911373 118.2623       12.85303  125.9210       
16.65921  106.9987       20.20293  110.4639 7.459930 101.1856 9.947037 
9.278374       12.43359 
1 1 1 -15 18 3  o 136.8599 4.831744 191.2395       13.44720  173.5546       
18.27386  212.1263       19.85934  129.9118 6.942334 143.8500 6.788963 
-13.93823      9.710099 
1 1 1 -15 18 4  o 68.16480 7.782159 48.32986       10.59392  59.56112       
14.86011  36.72218       15.10707  75.28574 9.950206 58.15914 13.08954 
17.12661       16.44210 
1 1 1 -15 18 5  o 181.5473 4.271924 336.1240       15.77120  338.5015       
22.12638  333.6688       22.48565  181.9277 5.980812 180.5991 6.122634 
1.328598       8.559017 
1 1 1 -15 18 6  o 89.84875 6.109298 82.94521       11.09603  89.96424       
15.46911  75.50623       15.92513  93.20690 8.246529 85.09113 9.358001 
8.115768       12.47307 
1 1 1 -15 18 7  o 186.8739 4.179065 356.0460       15.88105  376.1927       
22.35257  335.5103       22.56737  191.8581 5.729226 181.1207 6.127191 
10.73737       8.388474 
1 1 1 -15 18 8  o 66.10216 8.073464 45.52281       10.62690  34.65553       
14.07132  59.94902       16.21252  56.63067 12.54892 75.36004 10.89564 
-18.72937      16.61897 
1 1 1 -15 18 9  o 93.97275 6.115681 90.68712       11.62322  93.56755       
16.05606  87.51556       16.84795  95.05220 8.392848 91.74187 9.153025 
3.310326       12.41844 
1 1 1 -15 18 10 o 118.7043 5.371332 143.9191       12.96582  176.0085       
17.95062  108.9147       18.74824  130.9286 6.765187 102.4472 9.093849 
28.48141       11.33428 
1 1 1 -15 18 11 o 56.93381 9.853112 34.38446       10.99463  39.24680       
14.90802  28.58606       16.27991  60.30989 12.56355 51.48251 14.77664 
8.827377       19.39567 
1 1 1 -15 18 12 o 95.37926 7.528060 93.92458       14.48250  94.52627       
17.43927  92.58749       25.99682  95.35435 9.104281 92.93586 14.20703 
2.418495       16.87387 
1 1 1 -15 18 13 o 239.7340 6.461928 588.5356       31.50237  607.7169       
46.32475  572.0346       42.96669  242.6552 9.387978 235.5764 8.969097 
7.078812       12.98379 
1 1 1 -15 18 14 o 153.3811 5.183088 240.3542       16.16635  264.9901       
22.14888  212.2652       23.65023  160.7774 6.774471 143.4139 8.143050 
17.36349       10.59258 
1 1 1 -15 18 15 o 84.91122 9.333076 75.36375       15.84949  55.42337       
19.01454  120.7585       28.68943  71.51822 13.57073 106.3761 13.57179 
-34.85790      19.19266 
1 1 1 -15 18 16 o 275.8082 5.340863 777.8546       29.95505  843.2813       
51.44036  744.2844       36.84710  285.7654 8.852030 269.3447 6.727341 
16.42075       11.11825 
1 1 1 -15 18 17 o 91.57732 8.024172 87.04575       14.79234  84.34450       
20.73094  89.84757       21.11335  89.11463 11.72441 92.08175 11.52805 
-2.967117      16.44256 
1 1 1 -15 18 18 f 32.04746 13.36449 2.977036       14.47966  33.07237       
20.25526  -28.47521      20.70685  55.00743 16.66737 27.01254 12.97294 
27.99489       21.12104 
1 1 1 -15 18 19 o 134.8157 6.632004 186.6818       18.18179  216.2754       
25.91285  157.9842       25.51758  144.2780 8.875136 122.7460 10.31880 
21.53207       13.61050 
1 1 1 -15 18 20 o 87.60337 9.838313 80.92479       17.22338  101.3455       
24.00554  59.26085       24.72548  97.20116 12.42939 72.31602 17.08509 
24.88514       21.12794 
1 1 1 -15 18 21 o 33.98195 14.28128 3.405192       16.72860  -17.59729      
23.31362  25.69541       24.01771  31.86128 14.82645 50.42730 18.23596 
-18.56602      23.50263 
1 1 1 -15 18 22 o 157.2303 7.922698 258.1031       25.25012  294.2209       
31.30013  190.7966       42.72817  167.1186 9.246164 129.4970 16.60844 
37.62160       19.00873 
1 1 1 -15 18 23 o 38.29686 15.28619 11.21293       17.95161  -1.837884      
25.47204  24.09174       25.30363  37.50759 16.66733 48.42648 18.48027 
-10.91889      24.88614 
1 1 1 -15 18 24 o 70.92110 14.77855 59.65567       20.62229  103.8310       
36.37140  38.72561       25.03545  88.75163 20.55659 55.45950 18.71410 
33.29213       27.79912 
1 1 1 -15 19 1  o 95.47577 6.596282 93.97159       12.72836  127.6576       
26.22477  83.59072       14.55807  109.8183 11.93534 89.70730 8.066651 
20.11100       14.40566 
1 1 1 -15 19 2  f 199.8672 4.699801 407.9500       19.10172  408.5093       
23.76616  406.9295       32.10451  199.7645 5.850451 198.8129 7.940906 
0.9515533      9.863355 
1 1 1 -15 19 3  o 154.9815 4.977665 245.3580       15.68762  238.2134       
19.60471  258.0770       26.15746  152.4917 6.322121 158.1270 8.162474 
-5.635300      10.32449 
1 1 1 -15 19 4  o 133.1703 4.712662 181.0361       12.76219  201.3741       
18.17014  161.2339       17.92920  140.2211 6.372259 125.1711 7.072726 
15.05000       9.519934 
1 1 1 -15 19 5  o 118.1484 4.953857 142.5341       11.90207  141.3832       
16.77447  143.7008       16.89027  117.2058 7.071091 118.1679 7.061182 
-0.9620361     9.993029 
1 1 1 -15 19 6  o 157.6944 4.340053 253.6473       13.91755  237.0890       
19.27276  271.6921       20.11930  152.2058 6.226748 162.9609 6.071249 
-10.75514      8.696692 
1 1 1 -15 19 7  o 137.6677 4.659437 193.3939       13.04419  178.3697       
17.95510  210.1863       18.98226  131.7897 6.722033 143.2755 6.515152 
-11.48576      9.361246 
1 1 1 -15 19 8  o 103.8078 5.496480 110.4139       11.56156  92.62186       
15.47145  132.9149       17.39874  94.59599 8.121550 113.5547 7.578137 
-18.95876      11.10800 
1 1 1 -15 19 9  o 94.23752 5.931011 91.17023       11.30792  100.8420       
15.44189  79.98656       16.60501  98.80846 7.747275 87.56300 9.476581 
11.24547       12.24034 
1 1 1 -15 19 10 o 210.4598 4.266057 451.7186       18.25775  421.3128       
24.76759  487.9058       27.01990  202.9547 6.001132 218.3881 6.084198 
-15.43336      8.545820 
1 1 1 -15 19 11 o 53.50321 11.75701 30.89585       12.44253  31.36232       
15.18607  29.94311       21.70296  53.67695 13.82753 53.48808 17.40480 
0.1888733      22.22899 
1 1 1 -15 19 12 o 69.77182 9.641637 51.19693       13.31433  61.86272       
15.95186  26.70249       24.17401  76.59637 10.51894 52.21238 18.35996 
24.38400       21.15978 
1 1 1 -15 19 13 f 90.70622 8.645144 85.51878       15.75334  89.17167       
28.24182  83.86884       18.98052  90.43644 15.93909 89.31697 10.66081 
1.119469       19.17570 
1 1 1 -15 19 14 o 177.2183 4.917891 320.7890       17.72307  335.0555       
24.42073  304.9131       25.76137  180.7773 6.642986 172.2938 7.352720 
8.483536       9.909176 
1 1 1 -15 19 15 o 51.15581 15.15275 28.34229       16.88187  19.03705       
22.40893  40.55421       25.67137  46.83047 17.49660 60.78413 18.82903 
-13.95366      25.70337 
1 1 1 -15 19 16 o 118.3979 6.554883 144.2353       15.72044  153.1141       
22.30707  135.4748       22.15782  121.3463 9.106326 113.9444 9.653489 
7.401932       13.27083 
1 1 1 -15 19 17 o 97.31197 11.14245 100.0465       21.65208  0.000000       
0.000000  100.0465       21.65208  ?        ?        97.31197 11.14245 
0.000000       11.14245 
1 1 1 -15 19 18 o 72.13634 10.49606 55.26036       14.94533  69.03989       
20.95763  41.00185       21.31877  79.85388 13.37939 60.61800 16.74173 
19.23588       21.43113 
1 1 1 -15 19 19 o 115.2452 7.318575 137.3367       17.06251  145.8422       
24.44267  129.2528       23.82910  117.8316 10.30444 110.7319 10.71642 
7.099693       14.86685 
1 1 1 -15 19 20 o 191.3626 5.823544 375.8665       22.66187  378.8372       
32.13186  372.9263       31.96624  191.2094 8.263713 189.7020 8.286445 
1.507355       11.70274 
1 1 1 -15 19 21 o 143.9707 7.013769 214.2347       20.53416  225.0663       
29.36793  203.8741       28.72222  146.0668 9.946349 138.8365 10.24571 
7.230286       14.27951 
1 1 1 -15 19 22 o 48.39706 18.79262 21.87161       26.48886  21.87161       
26.48886  0.000000       0.000000  48.39706 18.79262 ?        ?        
0.000000       18.79262 
1 1 1 -15 19 23 o 46.30308 15.81263 24.18523       17.87628  24.03801       
25.20919  24.33413       25.35318  48.05228 18.41997 48.24617 18.47766 
-0.1938896     26.09060 
1 1 1 -15 19 24 o 87.65333 12.16813 86.96540       21.10417  122.2838       
36.85316  69.73178       25.74319  97.40941 19.28709 74.55700 17.31166 
22.85241       25.91689 
1 1 1 -15 20 1  o 42.49297 12.41057 19.39025       11.39454  6.080612       
23.63203  23.42179       13.00628  40.92550 17.07075 46.45463 13.16577 
-5.529133      21.55802 
1 1 1 -15 20 2  o 96.40605 7.167128 96.02826       13.95033  79.36265       
26.20337  102.6203       16.47999  84.99490 15.74015 99.43301 8.224146 
-14.43812      17.75919 
1 1 1 -15 20 3  o 74.48167 7.443852 57.57481       11.12354  48.66146       
14.02389  72.69588       18.26582  67.69112 10.53021 82.85983 11.12106 
-15.16871      15.31546 
1 1 1 -15 20 4  o 44.65092 11.41148 21.55439       10.40049  15.71009       
13.35779  30.55204       16.57423  40.01712 13.66887 52.92836 14.81411 
-12.91124      20.15678 
1 1 1 -15 20 5  f 105.2566 5.382210 113.5363       11.48172  120.2533       
15.52985  105.4383       17.05186  108.0256 7.109226 100.8497 8.390853 
7.175934       10.99761 
1 1 1 -15 20 6  o 55.82306 9.106770 32.94659       9.981346  29.98686       
13.21869  36.87261       15.22435  52.55674 12.54269 58.22950 13.16602 
-5.672760      18.18414 
1 1 1 -15 20 7  o 47.75506 10.32101 24.49722       9.730512  29.49951       
13.26110  18.66244       14.32210  52.12877 12.64035 42.89428 14.14766 
9.234489       18.97195 
1 1 1 -15 20 8  o 73.25539 7.263886 55.58760       10.67816  64.82224       
14.56575  44.85818       15.70040  78.74154 9.274415 64.55105 12.41148 
14.19049       15.49385 
1 1 1 -15 20 9  o 44.07269 11.60017 20.93722       10.53821  36.07376       
13.71396  -0.8882306     16.46764  57.82090 12.05406 32.09718 13.84784 
25.72372       18.35927 
1 1 1 -15 20 10 f 76.40691 8.199660 60.72174       12.54112  51.25989       
15.15546  81.27405       22.33630  69.44767 11.10569 87.26089 12.98305 
-17.81322      17.08496 
1 1 1 -15 20 11 o 169.1339 5.181449 292.2552       17.82106  305.8401       
21.89405  265.5833       30.67785  172.8365 6.229300 160.0740 9.466470 
12.76248       11.33218 
1 1 1 -15 20 12 o 56.56403 10.71447 34.25167       11.87312  51.60903       
16.15078  13.83997       17.51424  69.45318 11.86123 41.07609 15.44425 
28.37709       19.47341 
1 1 1 -15 20 13 o 325.0724 5.339221 1080.286       35.29469  1079.954       
63.55433  1080.434       42.44095  323.0323 9.674929 324.7001 6.427636 
-1.667786      11.61545 
1 1 1 -15 20 14 o 100.3618 6.797377 103.8190       13.79091  107.0186       
18.70608  100.0093       20.41196  101.3507 9.175702 97.59915 10.44683 
3.751595       13.90431 
1 1 1 -15 20 15 o 149.8324 7.135199 230.6932       21.74018  245.7975       
29.40026  212.4698       32.29352  153.7780 9.447421 142.2748 11.25370 
11.50320       14.69352 
1 1 1 -15 20 16 f 196.6349 4.975354 395.2600       19.89464  417.9838       
28.24940  372.8997       28.02251  201.7125 6.886919 190.4221 7.236661 
11.29031       9.989941 
1 1 1 -15 20 17 o 175.5123 5.345866 315.2336       19.07995  334.1728       
26.90360  296.0688       27.06335  180.1962 7.341981 169.4651 7.853260 
10.73116       10.75074 
1 1 1 -15 20 18 o 111.9981 7.256941 129.6471       16.43890  172.8960       
23.67483  89.38154       22.84367  128.8443 9.094271 91.28347 12.64583 
37.56084       15.57635 
1 1 1 -15 20 19 o 88.11022 9.056221 81.40408       15.99557  90.16424       
22.07291  71.71613       23.21237  91.73163 12.13040 80.69082 14.68743 
11.04081       19.04908 
1 1 1 -15 20 20 o 102.4463 8.622475 109.8106       17.79601  122.6159       
24.85404  96.33870       25.49283  107.1246 11.59422 93.88683 13.76093 
13.23779       17.99415 
1 1 1 -15 20 21 o 142.6058 8.342311 212.6634       24.08676  263.1358       
46.01296  193.6118       28.26954  154.2713 14.85055 135.0271 10.37482 
19.24419       18.11562 
1 1 1 -15 20 22 o 94.97485 14.47997 102.1004       27.08114  102.1004       
27.08114  0.000000       0.000000  94.97485 14.47997 ?        ?        
0.000000       14.47997 
1 1 1 -15 20 23 o 50.66825 15.80703 30.53758       18.05617  12.39470       
25.87092  47.76856       25.21237  42.59492 17.82206 61.47393 18.58836 
-18.87901      25.75176 
1 1 1 -15 20 24 o 155.9264 7.124424 256.1649       22.59024  276.2492       
33.03102  238.5156       30.96393  158.6813 10.29187 147.2908 10.40476 
11.39053       14.63495 
1 1 1 -15 21 1  o 42.52269 12.17684 19.51611       11.06680  17.90438       
20.81464  20.15129       13.06677  45.11737 16.86150 43.49922 13.42665 
1.618145       21.55424 
1 1 1 -15 21 2  o 81.32327 7.580882 68.67103       12.39229  135.9603       
27.18393  51.01887       13.92318  113.2668 11.98408 69.35748 10.17420 
43.90929       15.72045 
1 1 1 -15 21 3  o 61.52044 7.925821 39.60824       9.684911  45.10078       
13.51186  33.80481       13.88899  65.06136 10.57593 55.69655 12.56216 
9.364811       16.42127 
1 1 1 -15 21 4  o 33.71713 11.87018 10.57804       10.10707  -1.697951      
13.07150  28.82871       15.93810  28.11275 12.23270 51.43261 14.57352 
-23.31985      19.02699 
1 1 1 -15 21 5  o 55.50448 9.717130 32.77966       10.56815  25.52002       
13.54712  44.06605       16.89145  48.49014 13.32668 63.60196 13.47881 
-15.11182      18.95465 
1 1 1 -15 21 6  o 234.9164 4.562227 563.3199       21.79424  569.9162       
27.28863  551.7017       36.21585  236.0320 5.685380 231.6470 7.688128 
4.385025       9.561948 
1 1 1 -15 21 7  o 232.1530 4.571404 550.1145       21.58119  526.1618       
26.12317  601.6020       38.30009  226.8081 5.663905 241.8864 7.786403 
-15.07835      9.628493 
1 1 1 -15 21 8  o 168.2689 4.917318 289.1738       16.82610  288.9780       
20.82523  289.5420       28.55622  168.0121 6.095335 167.6708 8.375137 
0.3413391      10.35838 
1 1 1 -15 21 9  o 212.6693 4.790675 461.8105       20.71824  463.9562       
25.44685  457.5915       35.68316  212.9365 5.876685 210.8011 8.324132 
2.135376       10.18953 
1 1 1 -15 21 10 o 115.8953 6.049880 137.8662       14.20872  136.4432       
17.13279  141.0008       25.42903  115.0347 7.362619 116.0058 10.90759 
-0.9710693     13.15993 
1 1 1 -15 21 11 o 130.5272 5.818266 174.3425       15.44351  178.2399       
18.53247  165.4853       27.93746  131.6211 6.948610 125.6806 11.04321 
5.940552       13.04744 
1 1 1 -15 21 12 o 146.2933 4.991721 218.6635       14.84999  211.8564       
20.39517  226.3442       21.66435  143.6664 6.981052 148.4578 7.176145 
-4.791443      10.01160 
1 1 1 -15 21 13 o 90.85772 7.023133 85.26338       12.87534  92.38546       
17.69798  77.25587       18.76588  94.04651 9.379106 85.46078 11.05746 
8.585724       14.49949 
1 1 1 -15 21 14 o 133.7468 6.328360 183.4204       17.21179  183.3490       
27.05147  183.4690       22.31027  132.4993 10.11627 133.1218 8.282507 
-0.6225586     13.07436 
1 1 1 -15 21 15 o 149.7749 6.137482 229.9782       18.69308  265.8225       
30.79176  209.0578       23.52394  159.8383 9.516384 142.1246 8.173775 
17.71370       12.54481 
1 1 1 -15 21 16 o 40.29108 13.44094 16.45091       12.91354  23.83633       
17.84872  8.338599       18.70647  47.80559 15.79500 38.47025 15.51634 
9.335342       22.14133 
1 1 1 -15 21 17 f 227.4401 4.911744 528.9554       22.71717  521.6388       
31.65528  536.7250       32.62030  225.2383 6.911186 228.4309 7.022337 
-3.192581      9.852802 
1 1 1 -15 21 18 o 170.9193 5.546342 299.3167       19.27744  282.3703       
26.67002  317.8571       27.89612  165.3523 7.931616 175.4739 7.817716 
-10.12163      11.13675 
1 1 1 -15 21 19 o 50.50432 14.23525 28.19910       15.24841  20.56799       
20.84946  36.97488       22.35856  46.46630 16.96194 57.42883 17.53603 
-10.96252      24.39713 
1 1 1 -15 21 20 o 94.27389 9.236255 93.67254       17.47931  88.95947       
24.20165  98.81172       25.27204  90.02944 13.64715 95.06310 13.44836 
-5.033653      19.15993 
1 1 1 -15 21 21 o 131.8909 9.093444 183.4154       24.24003  99.82735       
44.66402  218.3153       28.86013  87.66153 24.24143 143.4471 9.955239 
-55.78561      26.20598 
1 1 1 -15 21 22 o 88.76064 13.19342 88.43893       23.08946  94.17378       
27.34934  74.20948       43.08039  90.13049 15.47958 73.38840 24.54989 
16.74209       29.02266 
1 1 1 -15 21 23 o 58.63155 15.11570 41.39198       18.13741  15.94127       
25.56290  67.19319       25.73832  43.65177 17.93814 73.33112 17.50292 
-29.67934      25.06250 
1 1 1 -15 22 1  o 164.6637 6.432892 278.5637       21.54049  0.000000       
0.000000  278.5637       21.54049  ?        ?        164.6637 6.432892 
0.000000       6.432892 
1 1 1 -15 22 2  o 126.4233 5.544994 163.6931       14.25540  188.1001       
29.86572  156.4918       16.22271  133.6604 11.08812 123.2798 6.494035 
10.38064       12.84986 
1 1 1 -15 22 3  o 115.9560 5.016235 137.4851       11.82831  116.7771       
16.32416  160.3756       17.16284  106.2187 7.607887 124.7673 6.790082 
-18.54852      10.19731 
1 1 1 -15 22 4  o 46.79568 10.33511 23.62887       9.572368  35.84779       
13.01798  9.244802       14.12434  57.61056 11.51457 35.61124 13.75204 
21.99932       17.93611 
1 1 1 -15 22 5  o 109.9613 5.737269 124.1093       12.78465  118.5106       
16.17294  133.4359       20.87400  107.0926 7.473248 113.2336 9.143219 
-6.141014      11.80881 
1 1 1 -15 22 6  o 34.01480 11.96569 10.78749       10.26845  9.969534       
12.80405  12.26171       17.18955  35.16177 13.20819 39.79805 15.22120 
-4.636280      20.15295 
1 1 1 -15 22 7  o 173.5479 4.794430 307.6305       16.92029  316.6781       
20.98615  290.8237       28.60275  175.8835 5.867540 167.9632 8.374179 
7.920334       10.22521 
1 1 1 -15 22 8  o 180.8231 4.828053 333.9708       17.75322  331.5761       
21.81048  338.6728       30.56173  179.9594 5.959904 181.2902 8.289956 
-1.330795      10.20999 
1 1 1 -15 22 9  o 58.85151 9.630620 36.73496       11.12683  29.39219       
13.15528  55.19157       20.85672  51.96071 12.58379 70.92818 14.93243 
-18.96747      19.52766 
1 1 1 -15 22 10 o 104.8518 6.434391 113.1116       13.65307  107.7951       
16.37135  125.2545       24.74175  102.0301 7.953331 109.0748 11.31944 
-7.044754      13.83420 
1 1 1 -15 22 11 o 163.4559 4.705779 272.8722       15.64169  277.9121       
21.44279  267.1404       22.86723  164.6467 6.404376 161.3020 6.971438 
3.344727       9.466624 
1 1 1 -15 22 12 o 131.4723 5.328070 176.7831       14.24477  170.0369       
19.76846  184.0691       20.54423  128.3326 7.608981 133.5429 7.596547 
-5.210373      10.75194 
1 1 1 -15 22 13 o 297.9144 4.468400 906.2867       27.07041  899.6486       
37.80532  913.2715       38.77996  296.2057 6.276365 298.3937 6.390963 
-2.188019      8.957520 
1 1 1 -15 22 14 o 92.50694 10.60229 90.25990       19.58451  0.000000       
0.000000  90.25990       19.58451  ?        ?        92.50694 10.60229 
0.000000       10.60229 
1 1 1 -15 22 15 o 58.49805 11.55091 37.02073       13.25310  44.78392       
18.79398  29.34166       18.69186  63.58537 14.81043 51.99063 16.06050 
11.59475       21.84693 
1 1 1 -15 22 16 o 109.5479 7.798944 124.3916       17.26020  138.9123       
21.38416  97.24712       29.23734  115.3809 9.190158 93.94138 15.87025 
21.43951       18.33914 
1 1 1 -15 22 17 o 147.8924 5.875367 224.2900       17.66983  237.9453       
24.86033  210.3486       25.11950  151.5468 8.096243 142.2456 8.726174 
9.301132       11.90358 
1 1 1 -15 22 18 o 39.70795 14.25394 14.81664       14.64201  -0.9683164     
20.26366  32.06248       21.18061  35.12653 15.25753 54.06894 17.15527 
-18.94241      22.95856 
1 1 1 -15 22 19 o 74.76945 11.07464 60.03992       16.32934  59.37031       
22.41605  60.79704       23.83563  72.60529 15.64387 73.17878 16.42090 
-0.5734940     22.67987 
1 1 1 -15 22 20 o 36.64881 14.42190 9.741982       15.77009  24.66229       
22.26037  -5.291211      22.34442  48.94131 17.57450 34.78407 15.52357 
14.15724       23.44876 
1 1 1 -15 22 21 o 157.5872 8.017097 260.1128       25.60673  313.3953       
48.78460  239.8501       30.08423  167.7213 14.44442 150.1553 9.908195 
17.56598       17.51609 
1 1 1 -15 22 22 o 85.21586 10.80281 79.54273       18.29979  92.68114       
25.98825  66.62135       25.77272  89.46824 14.80177 73.81917 17.44512 
15.64907       22.87848 
1 1 1 -15 22 23 o 89.92424 10.92022 89.86835       19.55940  94.64744       
29.26765  86.01131       26.29314  87.32639 17.09319 84.14149 15.95046 
3.184891       23.37936 
1 1 1 -15 23 1  o 172.2360 5.595795 304.1516       19.59915  0.000000       
0.000000  304.1516       19.59915  ?        ?        172.2360 5.595795 
0.000000       5.595795 
1 1 1 -15 23 2  o 87.24787 7.070691 78.86893       12.43703  60.78545       
24.24736  85.32507       14.48804  73.50238 16.61296 90.55592 7.947964 
-17.05354      18.41632 
1 1 1 -15 23 3  o 65.12196 7.763614 44.33197       10.07852  50.70969       
14.28488  38.01055       14.22169  68.99091 10.51444 59.08454 12.23912 
9.906376       16.13535 
1 1 1 -15 23 4  o 92.13882 5.684705 87.28078       10.59926  80.69328       
14.62027  94.57871       15.38846  88.03100 8.263837 95.42824 8.003808 
-7.397240      11.50443 
1 1 1 -15 23 5  o 99.79810 5.556208 102.2661       11.23122  117.7319       
15.80519  86.49061       15.96268  106.7328 7.326352 91.07204 8.726078 
15.66076       11.39385 
1 1 1 -15 23 6  o 175.7988 4.332885 315.5016       15.48976  339.5506       
21.50442  289.5692       22.33058  182.0848 5.807677 167.9892 6.536831 
14.09569       8.744100 
1 1 1 -15 23 7  o 75.14716 7.462810 58.64240       11.25341  57.09849       
13.84167  61.65257       19.32742  73.67793 9.456742 75.55772 13.05082 
-1.879791      16.11688 
1 1 1 -15 23 8  o 132.7027 5.361164 180.1290       14.46739  174.0732       
17.65779  192.4959       25.23372  130.0676 6.698737 136.1102 9.170164 
-6.042587      11.35627 
1 1 1 -15 23 9  o 96.70065 5.913588 96.12373       11.57283  74.63904       
14.98056  127.9235       18.22533  84.55193 8.843559 111.1180 8.121922 
-26.56609      12.00725 
1 1 1 -15 23 10 o 180.9016 4.433791 334.1230       16.31056  345.9775       
22.67160  321.4048       23.48303  183.7514 6.067364 176.9991 6.524265 
6.752274       8.909486 
1 1 1 -15 23 11 o 67.25652 8.806932 47.51277       11.75570  53.68634       
15.77797  39.80908       17.62511  70.88390 11.32728 60.06881 14.57676 
10.81509       18.46048 
1 1 1 -15 23 12 o 62.36099 9.362009 41.14363       11.50563  52.87015       
15.63983  27.31111       16.98627  70.30918 11.32328 50.24518 15.27194 
20.06400       19.01181 
1 1 1 -15 23 13 o 78.31402 8.882498 64.24818       13.89555  69.36163       
20.81408  60.13668       18.66383  80.07096 13.24607 74.59640 12.76233 
5.474564       18.39389 
1 1 1 -15 23 14 o 193.3371 6.930754 384.3736       27.24878  0.000000       
0.000000  384.3736       27.24878  ?        ?        193.3371 6.930754 
0.000000       6.930754 
1 1 1 -15 23 15 o 249.6050 4.688240 636.8700       23.79658  663.2368       
33.66306  610.5333       33.64385  254.0893 6.515019 243.6774 6.789517 
10.41185       9.409730 
1 1 1 -15 23 16 o 57.99144 13.54013 37.09231       15.67766  29.02139       
18.77613  55.67471       28.49019  51.65059 16.12001 69.61408 19.40076 
-17.96349      25.22388 
1 1 1 -15 23 17 o 180.9428 5.405715 335.4410       19.89051  343.8295       
28.08202  326.9957       28.17707  182.5277 7.565684 177.9251 7.787663 
4.602585       10.85759 
1 1 1 -15 23 18 o 64.39724 11.89651 45.09126       15.00508  39.37613       
21.11177  50.92553       21.33069  59.00841 16.79133 67.17579 15.86774 
-8.167377      23.10268 
1 1 1 -15 23 19 o 116.1734 7.614518 140.3679       17.88921  131.5897       
25.20200  149.2828       25.39745  110.9737 11.32646 118.5855 10.64529 
-7.611763      15.54384 
1 1 1 -15 23 20 o 60.95832 13.84464 41.96169       16.77078  49.95338       
23.42437  33.55713       24.02185  65.21631 17.35698 54.48416 18.33161 
10.73215       25.24505 
1 1 1 -15 23 21 o 98.98440 11.73080 107.2838       23.15326  120.4199       
42.41931  101.7097       27.63238  96.95015 22.01807 94.38177 14.89096 
2.568375       26.58075 
1 1 1 -15 23 22 o 67.35059 13.68642 52.66080       18.10573  57.35634       
26.06630  48.28329       25.16807  67.18501 18.49452 61.64842 18.55654 
5.536594       26.19909 
1 1 1 -15 23 23 o 64.83218 15.62618 51.99635       20.35947  79.39601       
35.25105  38.28181       24.93962  74.21266 21.87289 54.20630 18.67151 
20.00636       28.75846 
1 1 1 -15 24 1  o 131.8082 6.235938 178.5951       16.71458  0.000000       
0.000000  178.5951       16.71458  ?        ?        131.8082 6.235938 
0.000000       6.235938 
1 1 1 -15 24 2  o 45.28284 13.36726 22.28532       13.15659  0.000000       
0.000000  22.28532       13.15659  ?        ?        45.28284 13.36726 
0.000000       13.36726 
1 1 1 -15 24 3  o 109.9311 6.630959 124.6933       14.75403  101.6918       
28.61857  133.0197       17.21861  96.27710 15.11540 113.3246 7.514376 
-17.04753      16.88020 
1 1 1 -15 24 4  o 21.18200 9.602847 -4.862296      8.934639  5.117932       
12.44174  -15.48932      12.83857  31.33866 12.64917 22.07381 10.49430 
9.264854       16.43569 
1 1 1 -15 24 5  o 143.9555 4.470388 211.7012       13.08655  206.9470       
17.85711  217.2168       19.23382  142.0257 6.182911 145.4378 6.503343 
-3.412170      8.973397 
1 1 1 -15 24 6  o 172.0083 4.333397 302.1280       15.15756  299.6752       
21.03876  304.7752       21.85668  170.9598 6.051661 172.3640 6.235714 
-1.404190      8.689461 
1 1 1 -15 24 7  o 130.2702 4.799015 173.4459       12.71302  183.1681       
17.51768  162.6277       18.47863  133.5935 6.448221 125.5200 7.270585 
8.073502       9.718074 
1 1 1 -15 24 8  o 122.7541 5.095341 154.1025       12.71922  156.0680       
17.03276  151.6248       19.12366  123.0674 6.832850 121.0513 7.810404 
2.016083       10.37739 
1 1 1 -15 24 9  o 67.70326 7.798214 47.83650       10.54012  40.18524       
14.21782  57.17190       15.70483  60.94077 11.89985 73.29490 10.86588 
-12.35413      16.11440 
1 1 1 -15 24 10 o 81.32161 6.903221 68.43678       11.30801  71.17387       
15.09307  64.93436       17.07327  82.40995 9.161362 78.13727 11.05346 
4.272682       14.35652 
1 1 1 -15 24 11 o 169.7233 4.624109 294.3320       15.95956  298.7648       
21.96262  289.3723       23.23124  170.6318 6.329547 167.8080 6.807823 
2.823807       9.295677 
1 1 1 -15 24 12 o 43.48774 12.10517 20.49379       11.09866  26.14907       
15.11313  13.87361       16.35168  48.98264 14.28917 40.15100 14.95681 
8.831638       20.68542 
1 1 1 -15 24 13 o 192.2590 5.316801 378.4141       20.78685  420.8972       
33.68428  352.2850       26.41685  201.8144 8.207742 185.0340 7.020660 
16.78040       10.80077 
1 1 1 -15 24 14 o 42.37721 14.70466 17.77237       15.48197  -8.608157      
28.21348  29.13869       18.51931  38.66191 17.33508 51.70072 15.98872 
-13.03880      23.58271 
1 1 1 -15 24 15 o 121.2818 6.260613 151.4537       15.38793  149.1031       
21.13766  154.1040       22.44474  119.6255 8.749946 121.4889 9.152263 
-1.863365      12.66197 
1 1 1 -15 24 16 o 98.35463 8.714081 101.0623       17.24837  92.74935       
20.84276  119.1259       30.72408  93.37720 11.19995 104.3689 14.89915 
-10.99169      18.63930 
1 1 1 -15 24 17 o 77.69494 9.761685 63.90805       15.08252  84.25301       
21.62603  44.64050       21.04562  88.42028 12.36578 62.80738 16.32678 
25.61290       20.48112 
1 1 1 -15 24 18 o 124.2057 7.004726 159.7037       17.62009  165.2578       
24.50965  153.7628       25.34866  125.3500 9.690541 120.5647 10.44223 
4.785233       14.24594 
1 1 1 -15 24 19 o 109.1310 7.925680 124.3888       17.46877  127.8202       
24.93233  121.0800       24.48294  109.1280 11.40349 106.1222 11.53058 
3.005829       16.21708 
1 1 1 -15 24 20 o 81.56586 10.55469 71.81657       17.09614  111.7577       
25.29398  38.22327       23.19708  100.8875 12.60401 57.05470 17.93571 
43.83282       21.92147 
1 1 1 -15 24 21 o 44.53915 17.95102 16.73473       25.01771  49.85519       
37.46594  -9.916524      33.60836  62.31318 22.73905 39.92258 18.29832 
22.39060       29.18720 
1 1 1 -15 24 22 o 100.9605 9.224606 110.2068       18.72950  124.5615       
27.04151  96.97098       25.96622  104.4630 13.01171 90.84015 14.54750 
13.62282       19.51753 
1 1 1 -15 24 23 o 97.83282 10.64180 106.9911       20.83000  104.4230       
36.24512  108.2576       25.45317  86.21829 20.89194 96.00443 13.40318 
-9.786133      24.82173 
1 1 1 -15 25 1  f 43.14547 12.63062 20.26731       11.78994  26.41446       
26.06242  18.68568       13.21996  51.62157 18.94592 42.04064 13.57604 
9.580933       23.30787 
1 1 1 -15 25 2  o 85.76266 8.362347 76.95947       14.39850  0.000000       
0.000000  76.95947       14.39850  ?        ?        85.76266 8.362347 
0.000000       8.362347 
1 1 1 -15 25 3  o 114.0192 6.747241 134.2792       15.57466  0.000000       
0.000000  134.2792       15.57466  ?        ?        114.0192 6.747241 
0.000000       6.747241 
1 1 1 -15 25 4  o 87.02209 6.028108 78.09292       10.60177  95.00119       
14.91236  60.81314       15.07529  95.61553 7.735772 75.73686 10.03544 
19.87867       12.67092 
1 1 1 -15 25 5  o 116.5385 5.135492 139.0121       12.17035  148.3898       
16.76245  128.5577       17.69861  119.8930 6.904503 111.3094 7.869808 
8.583504       10.46929 
1 1 1 -15 25 6  o 174.8481 4.348549 312.2942       15.46169  317.7635       
21.35422  306.2670       22.41671  176.0125 5.966074 172.6904 6.383400 
3.322083       8.737382 
1 1 1 -15 25 7  o 69.13235 7.452646 49.79341       10.31151  53.93257       
13.66052  44.31148       15.72093  71.42789 9.651960 63.79932 12.56454 
7.628567       15.84386 
1 1 1 -15 25 8  o 87.79507 6.169590 79.46637       10.94487  88.08608       
14.74279  68.88254       16.33635  92.05326 7.953830 80.72247 10.17824 
11.33080       12.91743 
1 1 1 -15 25 9  o 138.3504 4.898295 195.7389       13.78087  190.2632       
18.37769  202.7736       20.83006  136.0751 6.641420 140.1325 7.335212 
-4.057480      9.895140 
1 1 1 -15 25 10 o 104.7853 5.888254 112.9247       12.49609  129.5997       
16.81071  92.33260       18.68122  111.9168 7.428727 93.68597 9.958386 
18.23078       12.42399 
1 1 1 -15 25 11 o 39.80310 12.30983 16.75122       10.97732  4.055118       
14.51801  33.69905       16.77370  32.60435 13.47128 55.14172 14.69345 
-22.53736      19.93421 
1 1 1 -15 25 12 o 39.14265 13.09228 15.52874       12.25209  7.135885       
17.31688  23.94138       17.33728  36.66668 14.87973 47.60475 15.55928 
-10.93806      21.52899 
1 1 1 -15 25 13 o 80.71304 8.638792 68.23226       13.95893  67.30663       
20.77219  68.99445       18.84940  78.58264 13.48439 80.14314 11.92961 
-1.560501      18.00401 
1 1 1 -15 25 14 f 149.0839 5.510374 227.7986       16.70564  238.9448       
23.83227  217.0312       23.42373  151.9135 7.740329 144.6751 7.992789 
7.238373       11.12643 
1 1 1 -15 25 15 f 209.8064 4.848870 450.4093       20.68763  474.8911       
29.59824  427.0256       28.92676  214.7881 6.776482 203.5975 6.986760 
11.19054       9.733217 
1 1 1 -15 25 16 o 113.4519 7.980834 133.8225       18.29519  147.4420       
22.83215  109.3915       30.57987  118.5623 9.550963 99.42319 15.64172 
19.13914       18.32715 
1 1 1 -15 25 17 o 114.6140 7.037075 136.0351       16.32208  125.5640       
22.88770  146.8712       23.28318  108.9028 10.46386 118.1350 9.779930 
-9.232246      14.32269 
1 1 1 -15 25 18 o 48.06749 14.43422 25.58355       15.24133  37.34799       
20.90215  12.22661       22.27198  57.19668 16.83864 42.25255 16.96970 
14.94413       23.90629 
1 1 1 -15 25 19 o 27.18184 12.47274 -9.321375      15.67587  25.56350       
22.34288  -43.14123      21.99917  49.24150 17.61500 24.84293 12.24064 
24.39858       21.45044 
1 1 1 -15 25 20 o 106.5785 8.624637 120.2011       18.53203  137.2660       
27.55835  106.1138       25.03891  111.7544 12.33195 97.77927 12.90821 
13.97510       17.85214 
1 1 1 -15 25 21 o 42.89562 17.78695 13.56490       25.44081  78.51494       
39.73608  -31.55367      33.11868  74.61942 23.47717 34.50924 16.52895 
40.11018       28.71208 
1 1 1 -15 25 22 o 41.94170 15.33419 19.45925       17.04937  0.5059126      
25.05798  35.79681       23.26466  36.87005 16.44795 52.96019 18.03929 
-16.09014      24.41211 
1 1 1 -15 26 1  o 125.1262 5.518998 160.7346       14.04300  158.4347       
31.04045  161.3265       15.74663  121.1461 12.79341 125.2027 6.184755 
-4.056610      14.20995 
1 1 1 -15 26 2  o 54.03233 11.00570 31.79492       11.68198  -7.447715      
24.72906  43.06804       13.25411  36.12897 16.21226 63.20863 10.69287 
-27.07965      19.42099 
1 1 1 -15 26 3  o 69.85063 10.05298 52.01479       13.86826  0.000000       
0.000000  52.01479       13.86826  ?        ?        69.85063 10.05298 
0.000000       10.05298 
1 1 1 -15 26 4  o 97.95709 6.229792 99.01339       12.34520  97.39034       
18.97462  100.2047       16.25639  96.10766 9.847816 98.01849 8.231996 
-1.910835      12.83531 
1 1 1 -15 26 5  o 78.27287 6.835778 63.54580       10.77138  65.37849       
15.03243  61.61191       15.44189  78.67123 9.595214 76.14603 10.23132 
2.525200       14.02669 
1 1 1 -15 26 6  o 154.7321 4.466946 244.7222       14.05538  241.0271       
18.93370  249.2583       20.97770  153.2170 6.076831 155.6686 6.626826 
-2.451584      8.991257 
1 1 1 -15 26 7  o 87.31745 9.451737 80.17901       16.51493  0.000000       
0.000000  80.17901       16.51493  ?        ?        87.31745 9.451737 
0.000000       9.451737 
1 1 1 -15 26 8  o 181.8640 4.307452 337.9013       15.93011  359.0431       
21.73855  313.3802       23.41150  187.1290 5.712656 174.5827 6.594419 
12.54626       8.724724 
1 1 1 -15 26 9  o 89.80933 6.204852 83.20609       11.26245  87.51125       
15.10758  77.82048       16.89729  91.63648 8.193721 85.89839 9.851572 
5.738091       12.81369 
1 1 1 -15 26 10 o 72.25115 7.591542 54.43537       10.98710  52.91343       
14.54965  56.45485       16.75994  70.44260 10.47592 72.38647 11.79178 
-1.943871      15.77311 
1 1 1 -15 26 11 o 234.8624 4.889172 564.3823       23.35072  566.0405       
37.20718  563.3049       29.99268  234.0707 7.816788 234.1554 6.298827 
-0.8473206E-01 10.03879 
1 1 1 -15 26 12 o 263.7787 4.962883 712.1282       26.62106  735.8632       
42.76204  697.1088       34.01668  266.8105 7.881413 260.4063 6.423756 
6.404205       10.16766 
1 1 1 -15 26 13 o 110.8712 6.136221 126.6458       13.78090  126.5079       
18.77675  126.8067       20.28928  110.1704 8.445456 110.0702 9.147399 
0.1002350      12.44992 
1 1 1 -15 26 14 o 116.2641 6.187749 139.2885       14.57685  144.2978       
19.80764  133.3706       21.52939  117.7178 8.328207 112.7570 9.477279 
4.960815       12.61657 
1 1 1 -15 26 15 o 75.94059 9.306738 60.90800       14.07138  52.70063       
20.12783  68.75392       19.67962  68.70243 14.84073 79.61808 12.57228 
-10.91565      19.45018 
1 1 1 -15 26 16 o 39.03351 14.72196 12.97540       15.94000  12.22365       
18.98012  14.77461       29.36323  40.45296 15.85192 47.52490 19.34203 
-7.071938      25.00795 
1 1 1 -15 26 17 o 56.14378 13.29800 35.13277       14.94856  20.55825       
20.82722  50.61829       21.46828  46.14426 16.93638 66.61153 16.04048 
-20.46727      23.32677 
1 1 1 -15 26 18 o 61.25287 13.03571 41.84892       15.73872  37.85110       
22.33126  45.79464       22.18527  57.27626 17.53160 62.74301 16.97600 
-5.466751      24.40372 
1 1 1 -15 26 19 o 92.76875 9.256794 91.51322       17.22962  135.4416       
25.13111  52.55281       23.66742  111.9781 11.18608 66.50394 17.32666 
45.47413       20.62380 
1 1 1 -15 26 20 o 33.09202 14.05699 3.445018       16.48953  -7.829677      
23.69017  14.04106       22.96613  34.22418 15.56225 42.36387 17.15531 
-8.139687      23.16222 
1 1 1 -15 26 21 o 40.29675 16.07610 14.34173       19.84539  -6.086640      
39.58558  21.19960       22.93583  42.80679 19.70810 45.10941 17.49503 
-2.302616      26.35309 
1 1 1 -15 26 22 o 26.03899 12.27723 -13.65699      16.89560  -20.52477      
24.65149  -7.572960      23.20229  30.41221 14.48215 32.82193 15.10267 
-2.409712      20.92423 
1 1 1 -15 27 1  o 60.71523 10.14813 39.71120       12.08730  -6.409233      
26.55090  51.76875       13.57569  37.65069 16.85368 69.60130 9.867995 
-31.95061      19.53008 
1 1 1 -15 27 2  o 125.0561 5.724493 160.7011       14.55772  147.2322       
31.81345  164.2684       16.37245  116.1834 13.73074 126.1143 6.405099 
-9.930984      15.15119 
1 1 1 -15 27 3  o 139.0232 5.377602 198.2867       15.20294  234.9476       
35.51777  190.0631       16.82186  148.3748 11.87097 135.9397 6.085221 
12.43515       13.33978 
1 1 1 -15 27 4  o 133.6084 5.267661 183.0204       14.31209  206.7971       
22.63799  167.1892       18.47215  141.0776 7.923006 127.0565 7.178772 
14.02107       10.69153 
1 1 1 -15 27 5  o 34.58356 12.06588 11.54053       10.43080  6.763192       
16.05716  15.02828       13.71981  35.31830 14.32977 39.28898 13.83009 
-3.970680      19.91516 
1 1 1 -15 27 6  o 105.9981 6.105805 115.8219       13.10543  115.3047       
19.67489  116.2345       17.57083  104.8175 9.328032 105.5993 8.247834 
-0.7818146     12.45146 
1 1 1 -15 27 7  o 112.3715 5.110179 129.3291       11.67734  126.8861       
15.64919  132.3982       17.54071  110.7469 6.984560 112.9341 7.683523 
-2.187172      10.38367 
1 1 1 -15 27 8  o 20.17813 9.433447 -9.003717      9.613837  -16.42159      
12.24170  2.933661       15.52947  20.99812 10.05530 32.80771 13.77240 
-11.80960      17.05251 
1 1 1 -15 27 9  o 104.7034 6.244778 113.0561       13.23575  95.96067       
18.85974  129.6476       18.57975  95.40554 9.863394 111.5873 8.246341 
-16.18172      12.85646 
1 1 1 -15 27 10 o 97.66304 6.716588 98.64298       13.25812  98.39850       
19.29691  98.86157       18.24676  96.57780 9.968988 97.01143 9.365798 
-0.4336243     13.67841 
1 1 1 -15 27 11 o 64.58131 9.799914 44.44711       12.46590  31.79822       
17.35319  57.93480       17.91933  53.43231 15.22997 72.99541 12.52275 
-19.56310      19.71728 
1 1 1 -15 27 12 o 88.85596 7.138165 81.94410       12.78921  82.51247       
17.06320  81.21548       19.31957  88.43737 9.644322 87.21096 11.14885 
1.226410       14.74143 
1 1 1 -15 27 13 o 107.5120 6.495528 119.3805       14.13445  138.3816       
19.54883  98.56570       20.46057  115.2010 8.402692 96.37225 10.61646 
18.82875       13.53936 
1 1 1 -15 27 14 o 123.1014 6.109828 155.7757       15.29479  175.7409       
21.37863  134.8427       21.89064  129.9705 8.129660 113.2619 9.594539 
16.70858       12.57563 
1 1 1 -15 27 15 o 207.8761 5.941908 444.0916       25.11782  383.8719       
45.37927  470.6903       30.15911  189.9973 11.80353 213.5963 6.943419 
-23.59894      13.69432 
1 1 1 -15 27 16 o 47.72145 13.60945 25.22643       13.85297  36.17185       
19.47045  14.00553       19.71395  56.46243 16.14576 41.77906 16.21519 
14.68337       22.88269 
1 1 1 -15 27 17 o 129.9401 6.690670 174.8436       17.61926  159.6699       
24.78204  190.3534       25.05499  122.7825 10.01261 134.5251 9.214334 
-11.74258      13.60722 
1 1 1 -15 27 18 f 131.1655 6.772371 178.6297       18.00227  222.9695       
25.87057  137.0031       25.06657  145.5857 8.779553 112.8502 11.06533 
32.73552       14.12523 
1 1 1 -15 27 19 o 71.20666 11.70810 56.06079       16.36407  51.05360       
23.66024  60.65232       22.65694  65.05121 17.50222 71.88663 15.91887 
-6.835426      23.65879 
1 1 1 -15 27 20 o 90.26109 11.65447 90.49454       20.89200  100.1855       
26.75020  75.33901       33.45253  92.89839 14.64523 75.29241 21.03651 
17.60598       25.63235 
1 1 1 -15 27 21 o 33.32644 14.16747 4.868554       16.77330  7.873294       
25.77165  2.660382       22.09303  39.87407 17.26303 35.87854 15.74980 
3.995533       23.36811 
1 1 1 -15 27 22 o 25.58481 12.24055 -18.40482      18.04842  49.15692       
31.74609  -50.67122      21.93892  57.73328 20.95218 22.73778 11.37116 
34.99551       23.83899 
1 1 1 -15 28 1  o 180.8156 4.731216 335.0804       17.39643  328.0822       
38.07084  336.9272       19.55769  175.7883 10.70097 181.1269 5.309859 
-5.338654      11.94594 
1 1 1 -15 28 2  o 128.0804 5.598237 168.5949       14.58094  184.0166       
33.24860  164.9227       16.22430  130.4493 12.69455 126.4964 6.307197 
3.952919       14.17506 
1 1 1 -15 28 3  o 126.8970 5.647274 165.4627       14.57276  172.4440       
32.62640  163.7228       16.28776  126.2486 12.88918 125.8904 6.383225 
0.3581543      14.38320 
1 1 1 -15 28 4  o 30.24088 12.92868 0.8353732      14.11220  0.000000       
0.000000  0.8353732      14.11220  ?        ?        30.24088 12.92868 
0.000000       12.92868 
1 1 1 -15 28 5  o 67.40553 8.565021 47.95314       11.47513  47.04971       
16.99568  48.71003       15.55625  65.22015 13.26622 66.88374 11.87239 
-1.663582      17.80299 
1 1 1 -15 28 6  o 111.8031 7.128651 129.5631       16.12290  119.5547       
19.29128  152.7496       29.36276  106.7847 8.966854 119.3134 12.27721 
-12.52872      15.20310 
1 1 1 -15 28 7  o 182.6433 4.772758 341.5002       17.72657  361.4236       
27.26104  326.9045       23.33309  187.1001 7.165012 178.2017 6.438861 
8.898438       9.633085 
1 1 1 -15 28 8  o 163.9306 4.921619 275.2078       16.40663  296.0463       
25.12889  259.7246       21.66050  169.2986 7.299085 158.7657 6.709040 
10.53297       9.914023 
1 1 1 -15 28 9  o 84.19420 7.373200 73.76736       12.49656  65.82027       
17.29917  82.44016       18.07176  78.32255 11.17859 88.13654 10.27600 
-9.813988      15.18410 
1 1 1 -15 28 10 o 116.8553 6.056159 140.7195       14.34183  139.3658       
20.84186  141.9371       19.76573  115.3855 8.952560 116.6534 8.388285 
-1.267845      12.26832 
1 1 1 -15 28 11 o 91.83900 6.913912 87.45646       12.81753  88.11852       
16.97487  86.57826       19.55017  91.49780 9.250193 90.10671 10.89041 
1.391090       14.28871 
1 1 1 -15 28 12 o 143.1909 5.175314 210.1670       15.06967  222.2655       
20.68073  196.4703       22.00426  146.7872 6.928291 137.4972 7.902994 
9.290039       10.50992 
1 1 1 -15 28 13 o 48.58351 12.50191 26.07396       12.42330  36.63993       
16.70648  13.00386       18.58103  57.17017 14.38282 40.62470 15.74928 
16.54547       21.32851 
1 1 1 -15 28 14 o 30.82180 12.53947 4.741471       12.33548  6.174499       
16.84345  3.083732       18.11598  35.53259 14.57651 34.97306 14.78831 
0.5595245      20.76460 
1 1 1 -15 28 15 o 63.61648 13.41939 44.99316       16.81404  53.39770       
32.51690  41.92583       19.64409  67.07828 21.25321 60.66973 15.77508 
6.408543       26.46794 
1 1 1 -15 28 16 o 34.00274 13.37516 8.145017       13.55880  12.32750       
19.47118  4.207649       18.89202  40.54640 16.00299 35.97056 15.14996 
4.575836       22.03671 
1 1 1 -15 28 17 o 83.03316 9.721941 73.56412       16.10482  81.36156       
22.20771  64.91469       23.38954  85.80924 13.14560 75.17413 15.80204 
10.63512       20.55508 
1 1 1 -15 28 18 o 45.61906 14.46958 23.26075       15.06893  41.20542       
21.53989  6.060088       21.08863  58.95120 17.01930 37.95059 15.99640 
21.00061       23.35683 
1 1 1 -15 28 19 o 28.95374 13.01994 -4.772586      16.04200  3.389001       
23.00703  -12.49510      22.37961  37.65317 16.30618 31.74433 14.68688 
5.908842       21.94529 
1 1 1 -15 28 20 o 59.55706 16.35974 43.93418       20.42148  39.73903       
25.61670  51.24893       33.82590  55.75935 18.92953 61.19522 21.69698 
-5.435879      28.79385 
1 1 1 -15 28 21 o 24.06736 11.55165 -18.80945      16.36453  -8.572310      
24.11202  -27.55167      22.28203  33.09216 15.28734 27.09244 13.12105 
5.999727       20.14608 
1 1 1 -15 29 1  o 27.07168 11.54827 0.7827801      11.21476  5.570836       
27.95671  -0.1354745     12.24301  42.45622 18.17520 27.66551 11.93800 
14.79071       21.74520 
1 1 1 -15 29 2  o 69.19798 8.554486 50.67490       11.78120  56.69640       
25.73688  49.07868       13.25103  69.37897 18.06471 67.63231 9.930573 
1.746666       20.61431 
1 1 1 -15 29 3  o 135.0720 5.461477 187.4586       15.00123  197.6106       
33.94387  184.9945       16.72297  135.2576 12.48174 133.9979 6.137111 
1.259766       13.90892 
1 1 1 -15 29 4  o 78.41658 10.46491 65.86547       16.27118  75.42711       
28.04938  61.01609       19.97561  80.69195 17.59025 74.11426 13.76060 
6.577690       22.33318 
1 1 1 -15 29 5  o 50.12698 12.32792 27.84854       12.47919  27.02253       
14.72762  29.95135       23.49854  49.24213 14.02883 52.61713 18.12404 
-3.374996      22.91918 
1 1 1 -15 29 6  o 47.02813 13.96376 24.40465       14.32360  27.77717       
17.38136  17.26743       25.28544  50.07113 15.49053 46.39067 18.25970 
3.680462       23.94521 
1 1 1 -15 29 7  o 126.3794 6.648697 165.1400       17.02685  161.3161       
20.43974  173.8098       30.77705  124.3958 8.124749 127.3280 12.02894 
-2.932167      14.51575 
1 1 1 -15 29 8  o 85.12521 7.142101 75.37382       12.24907  58.31704       
16.65051  95.49325       18.08369  73.42267 11.53189 95.13094 9.473919 
-21.70827      14.92446 
1 1 1 -15 29 9  o 168.1202 5.064477 289.7234       17.31434  304.4012       
26.01275  278.0479       23.20024  171.5186 7.458023 164.1128 6.951821 
7.405746       10.19558 
1 1 1 -15 29 10 o 77.27334 12.32762 64.96917       18.72039  0.000000       
0.000000  64.96917       18.72039  ?        ?        77.27334 12.32762 
0.000000       12.32762 
1 1 1 -15 29 11 o 118.0362 5.735854 143.1500       13.76780  159.5512       
18.39430  122.2567       20.76106  124.0034 7.327081 107.6996 9.579481 
16.30379       12.06037 
1 1 1 -15 29 12 o 57.31866 10.35544 35.50925       11.62603  28.36563       
15.29049  45.29855       17.89938  50.43240 14.26888 63.59985 14.19916 
-13.16745      20.13000 
1 1 1 -15 29 13 o 163.8806 5.145680 275.4331       17.14833  298.2308       
24.14890  252.2441       24.35522  169.9139 6.989032 156.0128 7.676806 
13.90111       10.38171 
1 1 1 -15 29 14 o 28.89323 12.21788 1.642418       12.36633  0.8478365      
16.85341  2.569202       18.20154  32.74602 14.06750 34.70396 14.75583 
-1.957947      20.38698 
1 1 1 -15 29 15 o 115.8464 8.256265 140.4178       19.32263  154.8071       
38.92618  135.7129       22.25856  116.7741 16.88254 113.2487 9.760572 
3.525352       19.50100 
1 1 1 -15 29 16 o 124.3578 6.792738 160.5034       17.11286  173.1149       
24.28688  148.0682       24.11650  128.0021 9.396119 117.9579 10.15286 
10.04422       13.83357 
1 1 1 -15 29 17 o 66.84897 11.84966 49.38401       15.51864  30.92114       
20.86883  72.22344       23.21085  52.00737 17.07409 79.54672 14.89631 
-27.53935      22.65888 
1 1 1 -15 29 18 o 110.0860 7.653827 127.4193       17.02761  129.8834       
23.88445  124.8725       24.28180  109.3550 10.88517 106.9212 11.34089 
2.433861       15.71950 
1 1 1 -15 29 19 o 40.29206 14.78287 16.78749       15.86532  32.14235       
23.46019  3.847065       21.53689  51.72013 18.09245 36.55424 15.80346 
15.16589       24.02261 
1 1 1 -15 29 20 o 55.38555 16.15800 38.54293       19.32430  31.15571       
23.70214  53.18809       33.37289  50.05900 18.11377 61.08686 21.56269 
-11.02786      28.16129 
1 1 1 -15 29 21 o 30.14857 13.29984 0.5061416      15.93336  16.15167       
23.43050  -12.95282      21.73162  41.25370 17.08493 29.91478 14.04811 
11.33892       22.11887 
1 1 1 -15 30 1  o 205.4277 4.543855 432.7231       18.98169  439.3643       
42.69350  431.0870       21.19137  203.2045 10.36630 204.8203 5.087854 
-1.615875      11.54757 
1 1 1 -15 30 2  o 92.18562 6.854274 88.44477       12.75731  82.35199       
29.14806  89.88843       14.18843  83.85388 17.65198 92.69943 7.593341 
-8.845551      19.21591 
1 1 1 -15 30 3  o 137.2090 5.449022 193.5540       15.20381  183.4255       
33.47444  196.1864       17.06560  129.8349 12.84717 137.9516 6.083357 
-8.116730      14.21467 
1 1 1 -15 30 4  o 63.28674 12.66013 44.40375       15.72403  32.70493       
26.50215  50.75918       19.53361  54.59031 19.22111 66.92003 14.75130 
-12.32972      24.22915 
1 1 1 -15 30 5  o 31.01740 12.38680 5.933161       11.79304  13.30166       
13.78954  -14.13083      22.75459  37.78450 13.79415 32.22603 14.87443 
5.558464       20.28613 
1 1 1 -15 30 6  o 133.5486 4.812000 182.8089       13.06822  194.3386       
18.47206  171.2563       18.49045  137.2052 6.620541 128.4678 7.105465 
8.737350       9.711807 
1 1 1 -15 30 7  o 89.11288 7.649959 82.93296       13.72840  79.97800       
16.08112  90.87376       26.36169  86.97906 9.232985 90.24002 14.88459 
-3.260956      17.51568 
1 1 1 -15 30 8  o 114.4363 6.419449 135.4257       14.87839  126.6621       
17.35775  159.6982       28.88736  110.2197 7.794580 121.9843 11.79245 
-11.76466      14.13568 
1 1 1 -15 30 9  o 96.04568 6.145762 95.36654       11.94048  94.78134       
15.70412  96.16845       18.38341  95.14468 8.196663 95.33508 9.613733 
-0.1904068     12.63365 
1 1 1 -15 30 10 o 56.29109 10.05139 34.21940       11.08367  48.86641       
14.64326  14.57101       16.96004  67.15659 11.11107 40.49613 15.20347 
26.66047       18.83086 
1 1 1 -15 30 11 o 71.51698 8.287847 53.87260       11.82980  45.22505       
15.48137  66.00725       18.33904  64.12183 12.32047 77.93870 11.95241 
-13.81686      17.16549 
1 1 1 -15 30 12 o 170.4663 4.872684 297.8659       16.89111  284.6342       
22.91609  313.6063       24.99424  166.0075 6.788308 174.1417 7.058066 
-8.134247      9.792723 
1 1 1 -15 30 13 o 71.10293 9.040309 53.64378       12.77586  65.81457       
17.77479  40.63604       18.37579  77.92139 11.56874 59.75639 15.11222 
18.16500       19.03195 
1 1 1 -15 30 14 o 54.61094 12.01666 33.03703       12.98274  40.80225       
17.99390  24.60536       18.75017  59.86571 14.85205 47.79731 16.19515 
12.06840       21.97422 
1 1 1 -15 30 15 o 59.00619 21.28135 39.58643       32.67764  39.58643       
32.67764  0.000000       0.000000  59.00619 21.28135 ?        ?        
0.000000       21.28135 
1 1 1 -15 30 16 o 71.61022 10.69494 55.71116       15.09688  59.05795       
21.22029  52.28112       21.48256  71.72274 15.03023 66.92811 16.00110 
4.794632       21.95320 
1 1 1 -15 30 17 o 63.08008 13.76428 45.58499       17.15994  56.70873       
21.45899  25.85578       28.57844  69.57043 15.55817 50.40113 19.53401 
19.16929       24.97267 
1 1 1 -15 30 18 o 70.71176 11.20505 55.49389       15.57509  63.92389       
22.41974  47.63045       21.65326  73.41138 15.50431 62.48278 16.71495 
10.92860       22.79853 
1 1 1 -15 30 19 o 45.22824 17.48234 21.96515       22.84296  21.96515       
22.84296  0.000000       0.000000  45.22824 17.48234 ?        ?        
0.000000       17.48234 
1 1 1 -15 30 20 o 70.14658 12.42075 57.50556       17.06919  49.66060       
24.87417  64.48759       23.46628  60.33864 18.50854 70.90887 16.57181 
-10.57023      24.84333 
1 1 1 -15 30 21 o 72.78295 12.37854 62.94046       17.66508  79.09326       
26.60850  50.21041       23.62173  76.51278 17.48373 59.83089 17.97023 
16.68189       25.07210 
1 1 1 -15 31 1  o 100.4016 6.544639 104.8781       13.28913  96.83221       
31.06395  106.6805       14.70242  90.53497 17.50610 101.0242 7.203891 
-10.48927      18.93039 
1 1 1 -15 31 2  o 31.45378 12.35266 7.065655       11.54758  -3.080681      
24.08263  10.09499       13.15900  36.55581 16.22718 34.84570 13.31991 
1.710106       20.99384 
1 1 1 -15 31 3  o 55.57637 14.43250 35.25446       16.45624  38.19976       
28.15932  33.72687       20.27961  57.54301 19.83908 54.14288 16.72927 
3.400131       25.95106 
1 1 1 -15 31 4  o 29.32478 12.05993 3.837737       11.56539  68.74017       
27.94999  -9.570745      12.70402  76.10069 18.28818 23.80731 11.03263 
52.29338       21.35828 
1 1 1 -15 31 5  o 54.94157 11.67057 33.35857       12.63653  46.27594       
27.51428  29.90556       14.22559  62.44175 19.51801 51.54708 13.43459 
10.89467       23.69474 
1 1 1 -15 31 6  o 112.5134 5.325300 130.0764       12.18428  129.7301       
16.99264  130.4427       17.48005  111.5430 7.535672 111.7757 7.737913 
-0.2327194     10.80100 
1 1 1 -15 31 7  o 87.89671 6.369321 80.12186       11.30736  96.30225       
15.68880  62.63173       16.31141  95.84670 8.125871 76.20188 10.83111 
19.64482       13.54041 
1 1 1 -15 31 8  o 71.41534 9.244338 54.26212       13.11007  48.22507       
14.93493  74.53665       27.36945  66.48566 11.46029 80.14082 17.30104 
-13.65516      20.75245 
1 1 1 -15 31 9  o 104.7000 6.858678 113.8107       14.52217  110.4015       
16.96058  123.1764       28.11141  102.6620 8.192405 106.0487 13.32998 
-3.386757      15.64621 
1 1 1 -15 31 10 o 50.14691 11.11368 27.66146       11.03535  26.10072       
14.58269  29.75295       16.88107  48.33773 14.01758 51.37270 15.13493 
-3.034966      20.62907 
1 1 1 -15 31 11 o 48.22976 11.47303 25.70586       11.08869  17.85541       
14.55859  36.55254       17.11277  41.58146 14.26900 56.72399 14.71128 
-15.14252      20.49453 
1 1 1 -15 31 12 o 155.5948 5.109323 248.5309       16.16627  261.5491       
22.44094  234.4862       23.30887  158.9769 6.941535 150.0587 7.664073 
8.918228       10.34035 
1 1 1 -15 31 13 o 103.0749 6.635360 110.2699       13.83423  118.7198       
19.04954  100.8401       20.12375  106.1213 8.909811 97.14333 10.34617 
8.977989       13.65387 
1 1 1 -15 31 14 o 60.87852 11.15983 40.62806       13.30656  45.16836       
18.19689  35.40985       19.50811  62.93309 14.51510 55.36084 16.25871 
7.572250       21.79527 
1 1 1 -15 31 15 o 34.95388 13.74786 9.124059       14.32358  -2.123729      
19.34573  22.77134       21.30956  33.22907 14.65708 46.93240 17.14564 
-13.70333      22.55666 
1 1 1 -15 31 16 o 105.3343 7.588186 116.4998       16.14509  137.4021       
23.21326  96.91458       22.47008  113.0436 10.20822 93.78412 12.06169 
19.25948       15.80165 
1 1 1 -15 31 17 o 86.17122 10.91311 81.44798       18.69468  82.24770       
23.05968  79.91446       31.93215  84.80767 13.84918 79.08614 19.87800 
5.721535       24.22674 
1 1 1 -15 31 18 o 21.49230 10.48870 -24.55826      14.99503  -25.84840      
21.41906  -23.31818      20.99952  27.16804 13.08484 27.40228 13.13463 
-0.2342434     18.54000 
1 1 1 -15 31 19 o 64.22787 14.46207 50.16339       18.43410  40.95352       
22.71876  67.91273       31.53906  55.84736 17.77234 69.01693 20.77250 
-13.16957      27.33775 
1 1 1 -15 31 20 o 31.84825 13.58611 4.997013       15.52242  3.945242       
22.96720  5.881405       21.06056  35.86976 15.88840 35.59193 15.50665 
0.2778320      22.20130 
1 1 1 -15 32 1  o 109.6505 5.981029 124.7597       13.28600  97.89143       
29.35829  131.6795       14.89894  91.32728 16.41133 112.4380 6.544457 
-21.11067      17.66810 
1 1 1 -15 32 2  o 121.6816 7.622788 155.1247       18.76691  193.4833       
34.01202  138.3344       22.50245  132.5838 12.77313 113.7767 9.822078 
18.80714       16.11292 
1 1 1 -15 32 3  o 74.08110 8.592093 58.28376       12.70334  62.55013       
28.89647  57.26171       14.14333  71.44527 19.39259 72.97483 9.776504 
-1.529556      21.71756 
1 1 1 -15 32 4  o 67.03955 9.345353 48.16554       12.39380  59.99047       
26.33749  44.80223       14.04620  70.75977 18.20019 63.91930 11.21529 
6.840462       21.37825 
1 1 1 -15 32 5  o 86.39397 7.748308 78.31799       13.46794  87.51164       
27.59721  75.44392       15.43014  87.24961 16.14906 84.27118 9.151160 
2.978432       18.56168 
1 1 1 -15 32 6  o 22.76693 10.19387 -3.586479      9.720029  -14.36475      
13.59573  7.682488       13.90177  23.12548 10.93699 33.82662 13.46758 
-10.70114      17.34916 
1 1 1 -15 32 7  o 67.37649 8.189964 48.00594       10.99050  58.37110       
15.04463  36.14407       16.09423  73.61734 10.33430 56.41948 14.07438 
17.19786       17.46098 
1 1 1 -15 32 8  o 82.50968 6.848590 70.93703       11.38713  75.02299       
15.49130  66.13423       16.79528  84.07212 9.212001 78.24258 10.84767 
5.829544       14.23141 
1 1 1 -15 32 9  o 132.5394 6.087312 181.1726       16.40673  191.9953       
19.01637  149.6580       32.45008  136.0035 6.898429 116.3536 13.99539 
19.64991       15.60318 
1 1 1 -15 32 10 o 21.26104 9.987247 -10.69499      10.99757  6.046182       
15.00184  -30.14374      16.16953  33.73565 13.78837 21.81300 10.69700 
11.92266       17.45121 
1 1 1 -15 32 11 o 177.5968 4.662379 323.4323       16.83814  315.8178       
23.11800  332.0363       24.57410  174.7953 6.503827 179.1161 6.746704 
-4.320724      9.371114 
1 1 1 -15 32 12 o 121.0265 5.759935 150.9189       14.17587  137.4663       
19.13712  167.2757       21.10200  114.4331 8.279745 126.2931 8.262147 
-11.86003      11.69689 
1 1 1 -15 32 13 o 76.63230 8.291037 62.07836       12.71430  61.97074       
17.55917  62.19696       18.43419  75.11887 11.89077 74.96354 12.53531 
0.1553345      17.27786 
1 1 1 -15 32 14 o 45.13172 13.36094 22.87320       13.12808  30.75336       
18.25164  14.42589       18.89701  51.66131 15.85562 40.92638 15.87805 
10.73492       22.43910 
1 1 1 -15 32 15 o 34.03010 13.38653 8.775556       13.58245  -2.270566      
18.75186  20.96719       19.70018  32.49170 14.37604 44.96578 16.47662 
-12.47408      21.86663 
1 1 1 -15 32 16 o 45.88694 14.27754 24.14516       14.74198  17.33267       
20.84094  30.96730       20.85570  42.93314 16.66969 51.24864 17.08051 
-8.315498      23.86676 
1 1 1 -15 32 17 o 92.90361 10.21396 94.37218       18.97788  121.9905       
23.84556  46.65346       31.34394  104.9118 11.35853 59.51894 20.90744 
45.39289       23.79364 
1 1 1 -15 32 18 o 107.6936 7.843690 123.8743       17.05950  161.6727       
24.78443  89.84295       23.51700  121.2118 10.14840 87.50616 13.66222 
33.70562       17.01900 
1 1 1 -15 32 19 o 49.67960 15.94254 31.68909       18.25221  22.06921       
22.78970  48.89816       30.48122  43.92740 17.32081 57.62347 20.57863 
-13.69608      26.89778 
1 1 1 -15 32 20 o 37.63494 14.60774 15.44309       15.99992  23.68599       
23.16426  7.922528       22.12604  43.78087 17.39911 36.43085 15.88249 
7.350018       23.55806 
1 1 1 -15 33 1  o 30.72005 12.28742 6.371902       11.62472  11.12397       
28.98883  5.461308       12.68970  43.79483 18.62158 31.01204 12.67898 
12.78279       22.52820 
1 1 1 -15 33 2  o 43.85201 14.57269 21.33577       15.18511  21.11221       
25.89197  21.45299       18.74788  47.08543 18.49517 44.84902 16.12598 
2.236412       24.53810 
1 1 1 -15 33 3  o 215.2876 4.463893 475.7541       19.54268  518.5247       
44.08055  465.2909       21.80243  220.7892 9.817879 212.6300 5.042303 
8.159286       11.03701 
1 1 1 -15 33 4  o 79.01819 8.090816 65.99828       12.81748  52.54293       
30.11583  68.97475       14.16440  65.00169 20.43653 80.52679 8.792703 
-15.52510      22.24777 
1 1 1 -15 33 5  o 77.55950 8.170730 63.59363       12.69299  107.9075       
31.05018  54.70262       13.90816  96.55103 16.40126 71.24878 9.863927 
25.30225       19.13892 
1 1 1 -15 33 6  o 41.85260 13.36127 19.12664       12.83294  55.19791       
28.58067  10.01802       14.36210  67.11547 19.67059 35.57972 13.83156 
31.53575       24.04671 
1 1 1 -15 33 7  o 36.10973 13.43707 11.81751       13.19066  3.269865       
28.53624  14.14014       14.87522  41.65834 18.10037 38.73072 14.29758 
2.927624       23.06609 
1 1 1 -15 33 8  o 52.14286 10.36085 29.78532       10.59890  24.91132       
14.19139  35.93328       15.93850  47.05539 13.88086 56.13943 14.00701 
-9.084038      19.71990 
1 1 1 -15 33 9  o 136.5913 7.525151 194.7466       20.82146  0.000000       
0.000000  194.7466       20.82146  ?        ?        136.5913 7.525151 
0.000000       7.525151 
1 1 1 -15 33 10 o 88.25703 8.370091 82.19954       14.84246  86.01186       
17.23487  71.25574       29.20100  89.80018 9.586130 76.81874 18.83716 
12.98144       21.13604 
1 1 1 -15 33 11 o 72.64520 8.255219 55.86900       11.97858  67.30702       
16.12976  41.80351       17.88668  79.01731 10.28172 60.27456 14.72008 
18.74276       17.95535 
1 1 1 -15 33 12 o 24.58676 10.99374 -3.687408      11.26435  16.09041       
14.70147  -31.80600      17.52945  39.98209 14.29020 22.75677 11.15537 
17.22533       18.12877 
1 1 1 -15 33 13 o 66.52677 9.819844 47.88053       12.88533  53.57577       
17.96438  41.84564       18.49230  68.86479 13.30975 59.91440 15.16436 
8.950394       20.17690 
1 1 1 -15 33 14 o 156.6821 7.971668 258.1749       25.31538  258.1749       
25.31538  0.000000       0.000000  156.6821 7.971668 ?        ?        
0.000000       7.971668 
1 1 1 -15 33 15 o 59.32151 12.30028 39.91518       14.35117  50.18377       
20.66260  30.34503       19.94753  64.78144 15.82139 50.74261 16.69460 
14.03883       23.00056 
1 1 1 -15 33 16 o 56.37713 15.30542 38.31950       17.99768  83.79416       
40.29385  26.98592       20.11581  76.34471 23.57991 48.05932 16.75659 
28.28539       28.92742 
1 1 1 -15 33 17 o 133.1250 7.826236 188.6912       21.09353  199.8107       
26.07679  167.6435       35.87670  135.5641 9.519628 118.3854 15.25774 
17.17876       17.98394 
1 1 1 -15 33 18 f 36.74680 14.33120 13.19443       15.45663  54.50438       
21.77205  -28.78185      21.94694  64.93732 16.46443 26.45398 12.86058 
38.48335       20.89191 
1 1 1 -15 33 19 o 47.15796 15.35477 28.81416       16.89048  35.88081       
23.74500  21.57622       24.03106  50.65265 18.15511 43.16180 17.52401 
7.490852       25.23289 
1 1 1 -15 33 20 o 30.32448 13.27517 3.099087       15.60082  18.73966       
22.62976  -11.06691      21.53660  40.58503 16.79780 29.44045 13.87497 
11.14458       21.78717 
1 1 1 -15 34 1  o 44.24397 14.86932 22.38628       15.80456  29.94400       
30.27867  19.55605       18.52899  51.36732 20.05131 42.94168 15.93626 
8.425636       25.61287 
1 1 1 -15 34 2  o 47.71790 16.87593 25.85769       20.45142  18.82931       
30.22992  31.78943       27.77155  47.13713 19.45444 52.34904 19.49378 
-5.211910      27.54056 
1 1 1 -15 34 3  o 74.34299 14.88684 64.38411       21.72090  31.23001       
31.10933  95.92088       30.34105  53.08625 20.43485 89.30051 17.33313 
-36.21427      26.79590 
1 1 1 -15 34 4  o 124.1786 6.657692 160.7222       16.75084  180.2933       
34.96479  154.8923       19.08335  126.6848 13.79535 121.3622 7.773358 
5.322662       15.83467 
1 1 1 -15 34 5  o 45.27974 13.23750 23.20287       12.95791  18.98318       
27.66879  24.38836       14.66561  46.97200 18.89695 46.35108 14.21073 
0.6209221      23.64402 
1 1 1 -15 34 6  o 70.89109 9.549279 54.11383       13.41596  8.401134       
29.62914  65.90314       15.04682  43.73079 18.71562 78.29396 9.655286 
-34.56318      21.05942 
1 1 1 -15 34 7  o 62.51416 11.36445 43.18665       13.91484  74.98277       
31.36132  35.39277       15.52687  77.70848 19.79189 55.56997 13.80245 
22.13851       24.12938 
1 1 1 -15 34 8  o 74.66479 9.861370 60.08378       14.60647  50.21236       
28.94979  63.45488       16.91768  63.74824 20.03610 76.13528 11.26732 
-12.38704      22.98690 
1 1 1 -15 34 9  o 58.01907 9.644793 36.51000       10.97978  28.78753       
14.82450  45.89398       16.34163  50.16093 14.00004 63.77304 13.04097 
-13.61212      19.13290 
1 1 1 -15 34 10 o 41.54351 13.66633 18.76218       13.36736  20.27582       
15.34763  14.00577       27.20635  43.26810 14.65225 44.77167 18.46460 
-1.503571      23.57180 
1 1 1 -15 34 11 o 100.8463 6.617343 105.9845       13.49520  117.1655       
18.59423  93.53976       19.61701  105.1077 8.779851 92.97517 10.56313 
12.13250       13.73555 
1 1 1 -15 34 12 o 127.6923 5.677876 168.4380       14.74355  184.4867       
20.44785  151.0598       21.27797  132.6079 7.614691 119.3132 8.832567 
13.29472       11.66181 
1 1 1 -15 34 13 o 58.72817 11.39148 38.50083       13.11347  18.69446       
17.56692  63.42862       19.70765  42.56673 15.56481 74.64246 13.47973 
-32.07573      20.59044 
1 1 1 -15 34 14 o 93.71944 7.940745 93.09776       14.99133  71.98083       
20.62829  116.7340       21.82411  79.51581 13.22156 103.5057 10.51459 
-23.98994      16.89279 
1 1 1 -15 34 15 o 81.45277 9.153500 71.74989       14.89902  79.45793       
20.90854  63.79847       21.23607  83.60087 12.69814 73.44086 14.73200 
10.16000       19.44928 
1 1 1 -15 34 16 o 64.39227 14.32733 49.69413       18.27696  28.55517       
38.14996  55.99125       20.82204  51.36944 21.57651 67.63364 15.47463 
-16.26419      26.55202 
1 1 1 -15 34 17 o 49.47393 14.23567 30.08476       15.09271  50.04651       
21.71431  11.42783       20.99262  62.01532 16.80143 38.44678 16.06748 
23.56854       23.24762 
1 1 1 -15 34 18 o 54.64218 16.16142 39.65359       19.21527  42.38623       
23.01843  33.37198       34.89955  55.05055 17.92507 49.59111 20.72018 
5.459438       27.39770 
1 1 1 -15 34 19 o 30.82374 13.78345 0.7912132      17.70957  12.53590       
22.01525  -20.74423      29.81122  37.82270 16.15846 32.15240 15.47318 
5.670300       22.37220 
1 1 1 -15 35 1  o 45.21496 14.43125 24.21183       14.97125  -32.58167      
30.08890  42.89877       17.25941  31.85312 15.38317 59.68823 14.38806 
-27.83511      21.06319 
1 1 1 -15 35 2  o 24.82928 11.00511 -2.067616      11.03607  -4.219395      
30.00650  -1.731016      11.86790  38.64857 17.55107 25.91754 11.45355 
12.73103       20.95767 
1 1 1 -15 35 3  o 54.36669 12.20108 33.80288       13.15781  30.16642       
31.08899  34.59640       14.52261  51.88594 20.30006 54.56269 13.22631 
-2.676758      24.22865 
1 1 1 -15 35 4  o 46.29653 13.12559 24.65556       12.92464  33.15194       
28.33634  22.42363       14.52337  53.18146 19.71326 44.37941 14.21894 
8.802052       24.30619 
1 1 1 -15 35 5  f 27.67872 11.77447 1.631493       11.59972  34.17099       
29.48738  -4.325773      12.61695  54.11146 20.09941 25.66675 11.54380 
28.44471       23.17856 
1 1 1 -15 35 6  o 130.2549 9.084582 180.7207       23.91236  209.5755       
36.83153  159.6963       31.43934  136.7908 13.41328 119.4971 13.15586 
17.29365       18.78810 
1 1 1 -15 35 7  o 79.86253 8.359120 67.82254       13.37433  70.57563       
15.22281  58.50655       28.00264  81.01905 9.415228 68.26675 19.30811 
12.75230       21.48138 
1 1 1 -15 35 8  o 98.37122 7.374580 101.6362       14.64485  102.4430       
17.26496  99.56684       27.65208  98.13789 8.742785 92.86565 15.16632 
5.272247       17.50581 
1 1 1 -15 35 9  o 89.34480 12.09164 88.41306       21.40438  50.19136       
32.99329  116.1905       28.12657  62.76169 21.48195 101.2521 14.03802 
-38.49038      25.66204 
1 1 1 -15 35 10 f 48.45596 12.04418 26.60383       11.81654  23.60705       
15.53076  30.72341       18.20923  45.63891 14.71238 51.19792 15.85778 
-5.559006      21.63154 
1 1 1 -15 35 11 o 78.37066 8.201577 65.31616       12.87720  70.16749       
17.74070  59.91387       18.72104  79.79733 11.24458 72.62712 13.16051 
7.170204       17.31010 
1 1 1 -15 35 12 o 63.58150 14.82938 47.65685       18.82171  0.000000       
0.000000  47.65685       18.82171  ?        ?        63.58150 14.82938 
0.000000       14.82938 
1 1 1 -15 35 13 o 32.89818 12.89288 8.647362       12.55655  10.94237       
16.60398  5.581516       19.19090  36.94891 14.71597 35.79286 15.18255 
1.156048       21.14402 
1 1 1 -15 35 14 o 69.52365 10.18640 53.32081       13.97423  57.23008       
18.81839  48.51511       20.86473  69.99870 13.71080 62.75145 16.22934 
7.247250       21.24564 
1 1 1 -15 35 15 o 24.48547 11.62724 -15.41391      15.67082  19.72437       
19.26358  -84.16554      26.94562  42.72979 16.16776 22.75835 11.53198 
19.97144       19.85908 
1 1 1 -15 35 16 o 32.02406 14.74558 -7.479110      22.16927  32.50535       
35.87442  -32.18242      28.19790  51.05882 21.14265 30.28022 14.68757 
20.77859       25.74366 
1 1 1 -15 35 17 o 100.4148 10.09246 113.3512       20.32944  132.8219       
24.68614  72.32037       35.83591  107.2880 11.49379 66.53533 22.39011 
40.75266       25.16792 
1 1 1 -15 35 18 o 42.02945 15.98181 22.19943       18.88191  42.52468       
23.15627  -18.12914      32.61798  53.92718 17.99903 34.10330 16.35273 
19.82388       24.31824 
1 1 1 -15 35 19 o 30.57556 13.69332 1.491848       17.54982  -4.182100      
21.90359  11.66561       29.33009  31.23193 14.47799 39.01685 17.56942 
-7.784924      22.76613 
1 1 1 -15 36 1  o 38.21926 12.32213 16.77940       10.89402  18.59224       
29.82788  16.50035       11.70245  44.79593 18.96068 38.08044 12.79495 
6.715492       22.87396 
1 1 1 -15 36 2  o 108.3796 5.844579 122.7794       12.83346  120.8598       
34.65109  123.0845       13.81595  97.08694 18.22033 108.2758 6.302025 
-11.18890      19.27942 
1 1 1 -15 36 3  o 127.6039 6.221653 169.9342       16.14437  208.6509       
38.24521  161.5393       17.80884  133.7957 14.27719 123.7463 7.106869 
10.04947       15.94822 
1 1 1 -15 36 4  o 108.3542 5.999779 122.4732       13.16850  62.88460       
35.41114  132.0362       14.18586  67.02206 22.25273 112.4064 6.230392 
-45.38435      23.10847 
1 1 1 -15 36 5  f 77.25963 7.737671 63.45909       11.99324  86.56965       
32.89930  59.91719       12.87953  81.54929 19.99283 74.65392 8.643806 
6.895370       21.78139 
1 1 1 -15 36 6  o 63.95535 9.442982 44.54825       11.91170  65.19043       
32.99020  41.45369       12.77340  69.68915 21.30500 61.11295 10.66634 
8.576199       23.82591 
1 1 1 -15 36 7  o 101.4337 5.581240 106.8010       11.46807  111.4397       
15.46421  101.1327       17.09468  102.8116 7.447095 97.26921 8.735532 
5.542374       11.47906 
1 1 1 -15 36 8  o 75.29200 7.349849 59.93177       11.10976  61.90213       
15.18580  57.66279       16.29603  75.26240 10.18373 71.91794 11.53249 
3.344460       15.38527 
1 1 1 -15 36 9  o 62.55960 12.52425 44.57441       15.37715  46.41949       
34.62692  44.12116       17.16225  59.96651 21.86391 61.45308 14.04065 
-1.486565      25.98405 
1 1 1 -15 36 10 f 37.62343 12.60896 15.32652       11.36440  25.19452       
14.98725  1.977043       17.43170  46.56673 14.38052 32.90831 14.22249 
13.65842       20.22569 
1 1 1 -15 36 11 o 44.81063 15.22395 22.89613       16.56919  22.89613       
16.56919  0.000000       0.000000  44.81063 15.22395 ?        ?        
0.000000       15.22395 
1 1 1 -15 36 12 o 165.0105 5.884209 283.0015       19.74473  306.9460       
24.64434  240.0804       32.99511  171.0144 7.086521 147.6477 11.06992 
23.36673       13.14389 
1 1 1 -15 36 13 o 54.50126 13.20277 34.96149       14.47818  40.34975       
17.41114  22.88543       26.06546  57.76316 14.76606 46.57899 18.47377 
11.18417       23.64987 
1 1 1 -15 36 14 o 30.77603 12.80649 5.145046       13.25486  7.572018       
18.11940  2.351218       19.44067  35.43776 14.87653 33.93235 14.83775 
1.505417       21.01119 
1 1 1 -15 36 15 o 65.30173 11.18996 48.83335       14.32487  34.88501       
20.06481  63.33336       20.45775  51.90082 16.72173 72.04377 14.46651 
-20.14295      22.11100 
1 1 1 -15 36 16 o 50.46854 15.93349 33.41104       18.28863  21.45561       
36.86497  37.31400       21.06338  46.11349 20.29130 52.43504 17.15054 
-6.321556      26.56837 
1 1 1 -15 36 17 o 40.54422 15.40934 19.98567       17.54789  12.92966       
21.74867  33.14775       29.70404  38.02121 16.14713 48.00259 19.48520 
-9.981380      25.30619 
1 1 1 -15 36 18 o 53.61555 14.04282 37.80027       15.49288  58.61765       
22.69192  19.62312       21.20416  63.61212 17.15099 40.13498 16.39702 
23.47715       23.72801 
1 1 1 -15 37 1  o 59.19816 9.631015 39.47872       11.19537  47.08762       
32.05603  38.42173       11.94770  55.72576 20.90560 57.84647 10.54532 
-2.120712      23.41469 
1 1 1 -15 37 2  o 40.29791 13.31895 19.04623       12.69096  34.39368       
31.13948  15.98928       13.89751  51.08165 20.21334 38.08381 13.85647 
12.99784       24.50675 
1 1 1 -15 37 3  o 107.8511 5.692577 121.5904       12.44067  136.5038       
35.56518  119.5112       13.27961  103.5535 17.51367 106.6815 6.147346 
-3.127968      18.56121 
1 1 1 -15 37 4  o 93.82992 6.270245 92.47441       11.89514  82.08795       
34.38942  93.88596       12.67769  76.23405 21.33947 94.36020 6.649468 
-18.12614      22.35148 
1 1 1 -15 37 5  o 154.2899 4.756916 245.8688       14.92501  339.8641       
43.45022  233.2947       15.89197  173.4501 12.40051 150.0613 5.207838 
23.38881       13.44969 
1 1 1 -15 37 6  o 104.9696 6.703889 115.8486       14.23537  109.0832       
37.14954  117.0130       15.41177  90.28239 20.67926 105.2073 7.247913 
-14.92487      21.91265 
1 1 1 -15 37 7  o 109.6949 8.033175 128.1411       17.79484  163.2648       
37.48169  117.9206       20.21877  116.4113 16.27864 104.1739 9.654022 
12.23736       18.92602 
1 1 1 -15 37 8  o 32.03688 12.08022 9.343036       10.73102  0.8228852      
13.24601  25.61336       18.30458  28.60019 12.37919 46.72607 16.00073 
-18.12587      20.23037 
1 1 1 -15 37 9  o 27.54007 11.44211 3.430171       10.55749  -10.62774      
13.96641  22.17303       16.12658  24.39339 11.39276 43.96586 15.01883 
-19.57247      18.85100 
1 1 1 -15 37 10 o 41.38296 14.63898 18.95413       15.38985  11.13238       
35.23233  20.79845       17.10832  45.36082 19.90133 43.10937 15.41483 
2.251453       25.17299 
1 1 1 -15 37 11 o 81.79367 9.486824 73.07056       15.48644  91.81566       
18.31438  26.03842       29.00986  91.44306 10.01259 48.62658 19.42455 
42.81648       21.85326 
1 1 1 -15 37 12 o 43.75301 13.09542 22.50727       12.56037  17.36054       
17.12840  28.49435       18.47391  40.52242 15.26593 48.25795 16.07524 
-7.735535      22.16895 
1 1 1 -15 37 13 o 50.68287 12.25950 30.22733       12.49749  16.82123       
16.99265  46.02254       18.44474  39.88151 15.16212 61.01319 14.97696 
-21.13168      21.31195 
1 1 1 -15 37 14 o 47.17596 13.45671 27.10914       13.54231  38.35836       
18.86201  15.14125       19.45519  54.51210 15.98086 39.42504 15.85108 
15.08706       22.50877 
1 1 1 -15 37 15 f 36.85508 13.64358 15.08096       13.56446  15.12371       
18.97270  15.03625       19.40054  38.69963 15.62021 38.80019 15.74811 
-0.1005592     22.18094 
1 1 1 -15 37 16 o 79.03935 9.941601 71.26797       15.62552  65.47629       
22.57537  76.59426       21.64935  69.70597 16.22948 77.90827 14.18772 
-8.202301      21.55661 
1 1 1 -15 37 17 o 58.41991 15.35763 46.69397       18.48552  16.57967       
23.48121  95.77740       29.97793  39.20729 16.71729 79.90331 18.76881 
-40.69602      25.13436 
1 1 1 -15 37 18 o 42.04300 15.60756 24.83295       17.77521  39.47517       
30.48085  17.28745       21.88102  47.58007 19.57424 38.31052 16.22896 
9.269550       25.42695 
1 1 1 -15 38 1  o 29.09255 11.82050 6.531918       10.94341  -44.31800      
27.37623  16.20271       11.93877  26.90984 13.33156 36.98973 12.90844 
-10.07989      18.55689 
1 1 1 -15 38 2  o 65.05764 9.199699 47.31885       11.83149  101.9355       
31.55295  38.38310       12.76271  85.67812 18.64013 57.15315 11.38119 
28.52496       21.84000 
1 1 1 -15 38 3  o 26.92506 11.06703 4.308491       9.732880  -11.67278      
31.05780  6.048877       10.24915  35.76712 16.79566 28.62261 11.50600 
7.144508       20.35884 
1 1 1 -15 38 4  o 52.83889 9.998261 31.56906       10.34963  24.53979       
33.24418  32.32346       10.89085  47.53185 20.06225 53.25787 10.42923 
-5.726025      22.61112 
1 1 1 -15 38 5  f 47.65763 10.91391 26.14708       10.34939  93.38407       
34.24846  19.39024       10.85697  81.48002 20.64505 40.75336 12.17000 
40.72666       23.96512 
1 1 1 -15 38 6  o 31.85417 11.63360 10.09823       9.809512  13.58992       
28.58992  9.632324       10.44349  42.84881 18.36254 31.82167 11.93355 
11.02714       21.89960 
1 1 1 -15 38 7  o 83.11723 8.334174 74.55923       13.89681  73.88302       
34.68630  74.68854       15.16731  71.16734 21.86066 82.69473 9.174044 
-11.52739      23.70762 
1 1 1 -15 38 8  o 75.28962 6.651912 59.97223       10.07958  65.43363       
13.46743  53.01671       15.19838  77.64690 8.677620 68.31917 11.33709 
9.327736       14.27693 
1 1 1 -15 38 9  o 22.93973 10.24593 -2.500358      9.755093  -1.429266      
12.83728  -3.964115      15.00701  26.84965 11.88646 27.77909 12.53278 
-0.9294415     17.27306 
1 1 1 -15 38 10 f 23.95033 11.29803 -12.50409      14.34030  -22.94527      
32.69344  -10.01668      15.95728  34.93163 16.64630 26.36250 12.26716 
8.569130       20.67807 
1 1 1 -15 38 11 o 99.06744 6.641342 103.7684       13.30201  109.2279       
18.63291  98.09386       18.99611  99.87674 9.280241 94.00866 10.09485 
5.868080       13.71236 
1 1 1 -15 38 12 o 70.14383 9.807102 54.91808       13.60629  37.13787       
19.87573  70.59917       18.66563  53.39771 16.57223 77.92695 12.17732 
-24.52924      20.56517 
1 1 1 -15 38 13 o 46.52633 13.56477 26.64735       13.62313  30.18780       
18.93877  22.85116       19.61083  48.25972 16.27677 43.52917 16.34723 
4.730541       23.06870 
1 1 1 -15 38 14 o 28.20523 12.50343 -0.4625885E-01 14.25119  3.212151       
21.23623  -2.715970      19.22236  34.24936 15.21904 30.86403 14.02810 
3.385328       20.69800 
1 1 1 -15 38 15 o 55.99773 13.91159 40.21523       15.77093  16.37830       
24.77723  56.45005       20.44802  40.16201 17.14959 64.91099 15.66938 
-24.74898      23.23011 
1 1 1 -15 38 16 o 66.67025 12.12477 54.62883       15.83275  37.17147       
22.53816  71.63724       22.24647  49.42660 17.69069 72.69900 15.52030 
-23.27240      23.53381 
1 1 1 -15 38 17 o 78.95427 11.61979 76.48376       18.09835  79.99484       
23.08781  70.88729       29.14870  76.01032 15.46312 63.63155 20.11826 
12.37878       25.37425 
1 1 1 -15 39 1  o 77.07841 8.425409 66.58990       12.99105  80.38258       
33.01439  64.06299       14.13105  67.34622 21.42338 74.66238 9.524200 
-7.316154      23.44507 
1 1 1 -15 39 2  o 53.82688 9.447701 33.19472       9.964121  54.47194       
32.44818  30.97945       10.46998  56.38960 21.05690 51.38073 10.37793 
5.008869       23.47540 
1 1 1 -15 39 3  o 18.00732 8.613414 -10.41416      8.926259  -9.407178      
27.69279  -10.53091      9.429543  33.80656 15.87011 18.63501 8.896758 
15.17155       18.19376 
1 1 1 -15 39 4  o 34.12176 11.21764 13.26513       9.006804  77.17008       
32.73119  8.029741       9.368482  70.54111 21.14573 29.38216 11.23715 
41.15894       23.94609 
1 1 1 -15 39 5  o 70.58881 6.774493 53.26069       9.604985  79.29324       
34.17467  51.02795       10.00841  71.56412 21.64191 68.83591 7.259349 
2.728210       22.82697 
1 1 1 -15 39 6  o 51.97828 9.252746 30.27133       9.421628  -9.323563      
32.07967  34.00905       9.856297  36.85138 17.22951 55.24412 9.089793 
-18.39275      19.48026 
1 1 1 -15 39 7  o 30.11844 11.16985 8.842388       9.099739  20.21525       
32.91323  7.901103       9.468827  45.63313 19.63273 29.54176 11.29741 
16.09137       22.65117 
1 1 1 -15 39 8  o 38.88733 10.69989 17.48922       8.727063  12.54458       
11.20063  25.12916       13.92260  34.37403 12.44981 45.35897 13.83508 
-10.98494      18.61202 
1 1 1 -15 39 9  o 107.8901 5.384608 121.3947       11.81373  117.5866       
16.00095  125.9580       17.51592  104.6852 7.567357 108.0102 8.032202 
-3.324921      11.03545 
1 1 1 -15 39 10 o 106.5002 6.123122 119.6046       13.20514  109.8487       
19.20917  128.3458       18.18284  99.49900 9.613523 108.7534 8.284117 
-9.254379      12.69041 
1 1 1 -15 39 11 o 24.58183 11.13259 -3.678706      11.97214  -15.91545      
16.91028  8.618694       16.95214  25.08803 11.95998 34.53434 14.43607 
-9.446314      18.74676 
1 1 1 -15 39 12 o 29.96968 12.92126 3.399281       14.31813  15.99893       
17.07080  -26.49582      26.29510  38.45261 15.04304 29.51113 14.28305 
8.941484       20.74363 
1 1 1 -15 39 13 o 99.55720 7.143363 106.8851       14.36582  121.3128       
20.36614  92.59769       20.26688  103.5908 9.783845 88.77659 11.49631 
14.81416       15.09599 
1 1 1 -15 39 14 o 35.73750 13.23847 14.82756       12.77503  9.316673       
17.69049  20.83337       18.46779  34.28374 14.56148 40.68716 15.72141 
-6.403412      21.42894 
1 1 1 -15 39 15 o 30.55378 12.87169 6.952791       13.64265  24.30516       
19.55244  -9.510288      19.04483  42.06300 16.19795 27.68657 13.04816 
14.37642       20.79971 
1 1 1 -15 39 16 o 30.96674 13.47856 6.153647       15.87902  24.57811       
20.66871  -20.38474      24.80580  41.37508 16.43765 28.30407 13.73977 
13.07100       21.42377 
1 1 1 -15 40 1  o 77.85720 6.748428 66.36537       10.57879  1.559824       
31.41090  74.65639       11.23514  35.43743 16.71811 82.60466 6.747324 
-47.16723      18.02836 
1 1 1 -15 40 2  o 62.04931 7.967380 43.09953       9.820950  72.62321       
32.74950  40.18216       10.29475  62.33544 21.40052 59.30974 8.802802 
3.025700       23.14025 
1 1 1 -15 40 3  o 58.99592 7.945039 38.71832       9.289308  10.92023       
33.30827  41.06277       9.673104  39.91467 18.26590 60.72344 8.030560 
-20.80877      19.95327 
1 1 1 -15 40 4  o 25.44852 10.11084 5.107815       7.820418  0.000000       
0.000000  5.107815       7.820418  ?        ?        25.44852 10.11084 
0.000000       10.11084 
1 1 1 -15 40 5  o 68.42509 5.912017 49.76492       8.145463  0.000000       
0.000000  49.76492       8.145463  ?        ?        68.42509 5.912017 
0.000000       5.912017 
1 1 1 -15 40 6  o 54.76530 7.236309 32.64080       7.861497  0.000000       
0.000000  32.64080       7.861497  ?        ?        54.76530 7.236309 
0.000000       7.236309 
1 1 1 -15 40 7  o 22.97514 9.721571 1.767595       7.837335  0.000000       
0.000000  1.767595       7.837335  ?        ?        22.97514 9.721571 
0.000000       9.721571 
1 1 1 -15 40 8  o 84.46251 7.882572 77.70646       13.38244  171.9855       
38.14360  64.47256       14.29085  114.0320 16.96601 75.77570 9.481779 
38.25633       19.43579 
1 1 1 -15 40 9  o 80.36163 6.245058 68.68652       10.12540  73.25529       
13.25243  62.27903       15.69420  81.83545 8.068471 73.40224 10.84046 
8.433205       13.51354 
1 1 1 -15 40 10 o 29.21396 11.44721 7.575555       9.897304  18.01742       
13.24926  -5.607846      14.88731  38.75348 13.59426 26.35088 12.11487 
12.40260       18.20918 
1 1 1 -15 40 11 o 89.63219 8.996051 89.73921       16.17588  87.91061       
36.62210  90.18244       18.03001  71.34498 22.54959 88.78419 10.16982 
-17.43921      24.73680 
1 1 1 -15 40 12 o 90.47871 8.639268 91.28610       15.70235  91.07699       
18.41732  91.84270       30.04733  88.67354 10.41179 78.48461 19.02454 
10.18893       21.68729 
1 1 1 -15 40 13 o 46.19781 12.87062 27.34724       12.54099  36.97070       
17.50466  17.19853       17.97602  51.49946 15.46980 38.11786 15.26794 
13.38160       21.73533 
1 1 1 -15 40 14 o 43.41326 13.51586 25.09956       13.20881  4.977680       
18.44831  46.26538       18.92081  32.00577 14.20526 56.79316 15.80417 
-24.78739      21.24997 
1 1 1 -15 40 15 o 47.78374 14.58692 32.43427       15.47217  29.46427       
20.02471  36.83389       24.37225  43.81524 16.50628 46.71783 18.05808 
-2.902592      24.46531 
1 1 1 -15 40 16 o 61.75424 13.39211 51.50298       16.33342  48.87299       
21.13430  55.40356       25.73806  54.71254 17.10673 54.90353 18.96482 
-0.1909866     25.54026 
1 1 1 -15 41 1  o 28.35462 11.07100 8.636874       9.232256  0.8522879      
31.31354  9.377981       9.661730  33.90702 16.19478 29.13083 11.33903 
4.776196       19.76979 
1 1 1 -15 41 2  o 39.10696 10.56987 19.06572       8.606014  -71.01099      
32.20256  25.99386       8.930844  25.14942 12.72831 46.44289 9.766069 
-21.29347      16.04325 
1 1 1 -15 41 3  o 23.18837 9.418841 3.869962       6.945683  7.390939       
31.45571  3.689493       7.121461  37.02470 17.22678 23.20714 9.494305 
13.81756       19.66987 
1 1 1 -15 41 4  o 44.57399 16.26071 28.84448       19.15679  46.74179       
30.79855  17.55087       24.46543  50.91595 20.11676 39.12583 16.87954 
11.79012       26.26030 
1 1 1 -15 41 5  o 34.85070 14.87112 10.51240       18.60713  8.476974       
30.16401  11.76270       23.64104  38.09936 17.41543 37.15689 16.30206 
0.9424629      23.85486 
1 1 1 -15 41 6  o 63.94647 15.14470 54.92515       19.39013  57.13279       
32.26593  53.67722       24.25924  56.64644 21.02822 59.17889 18.29922 
-2.532448      27.87558 
1 1 1 -15 41 7  o 36.08476 15.37036 11.42704       19.81348  5.855090       
31.87825  14.93446       25.29211  38.44999 17.69613 39.28347 17.05445 
-0.8334808     24.57656 
1 1 1 -15 41 8  o 86.06422 7.179574 80.50675       12.45060  118.3423       
36.63142  75.56493       13.23876  85.84464 21.12710 82.75976 7.964769 
3.084877       22.57857 
1 1 1 -15 41 9  o 101.6966 4.865108 108.2435       10.06121  108.2025       
13.11837  108.3021       15.67899  100.4181 6.458420 99.26086 7.831239 
1.157219       10.15084 
1 1 1 -15 41 10 o 67.16808 7.497633 49.63068       10.06617  42.19997       
13.23096  59.84268       15.51072  59.07048 11.42782 70.84769 11.13319 
-11.77721      15.95440 
1 1 1 -15 41 11 o 54.76436 9.991858 35.23968       10.71743  39.75006       
14.27364  29.41029       16.22705  55.88498 12.83098 46.10313 15.05210 
9.781849       19.77877 
1 1 1 -15 41 12 o 23.29321 10.64178 -3.326836      11.24403  5.014664       
15.40006  -12.85060      16.45526  30.37820 13.24688 24.65143 11.76458 
5.726774       17.71680 
1 1 1 -15 41 13 o 71.52226 9.231006 59.35139       13.11251  52.30276       
18.39406  66.63445       18.69744  61.16443 14.92129 71.36021 13.37617 
-10.19579      20.03913 
1 1 1 -15 41 14 o 65.72636 10.44556 52.43346       13.49409  68.44528       
19.42283  37.49362       18.76139  71.01782 13.94682 48.99718 16.19403 
22.02064       21.37195 
1 1 1 -15 41 15 o 23.53602 11.16368 -8.738370      14.36618  9.380866       
18.47042  -36.48637      22.85718  32.53990 14.33899 23.76685 11.84202 
8.773050       18.59677 
1 1 1 -15 42 1  o 61.06187 8.625490 44.30056       10.41221  34.39553       
30.20861  45.63594       11.09191  40.43169 18.04648 61.44954 9.155963 
-21.01785      20.23628 
1 1 1 -15 42 2  o 12.23184 6.149314 -18.71504      6.836504  -32.71893      
28.50988  -17.86067      7.041962  26.92365 13.38390 12.72473 6.375172 
14.19892       14.82470 
1 1 1 -15 42 3  o 33.20650 14.52501 10.75278       18.64304  10.74464       
30.42814  10.75767       23.58915  36.04589 16.82862 34.56538 15.64275 
1.480515       22.97604 
1 1 1 -15 42 4  o 29.90441 13.80950 -0.4656963     19.64805  -0.9645946     
30.62643  -0.1167445     25.61374  34.09312 16.20852 32.61244 15.29457 
1.480682       22.28542 
1 1 1 -15 42 5  o 40.53464 16.03112 23.69255       19.57692  67.26003       
32.07720  -2.167339      24.71318  57.82395 21.04952 32.08751 15.04037 
25.73644       25.87074 
1 1 1 -15 42 6  o 46.21287 16.55245 32.73552       19.73461  22.14150       
31.57148  39.52932       25.28254  40.95691 18.35276 48.20698 18.45446 
-7.250072      26.02673 
1 1 1 -15 42 7  o 35.90183 15.29344 13.49813       19.61796  34.94337       
31.53732  -0.3800770E-01 25.05572  45.37732 19.36165 33.18369 15.41800 
12.19364       24.75052 
1 1 1 -15 42 8  o 35.27510 15.32715 11.36591       20.46254  8.822351       
32.62203  13.01589       26.27416  37.89883 17.60341 37.52999 16.78506 
0.3688393      24.32320 
1 1 1 -15 42 9  o 39.76786 8.569616 18.35433       6.725833  19.36362       
8.159465  16.21483       11.87983  40.03150 10.04078 35.91584 12.84490 
4.115654       16.30364 
1 1 1 -15 42 10 o 35.68371 10.87972 15.74257       8.611017  4.967512       
10.99687  32.82125       13.84479  27.31289 11.53403 49.42495 13.42642 
-22.11206      17.70035 
1 1 1 -15 42 11 o 48.59302 10.76622 29.15105       10.35871  35.43823       
14.00362  21.55369       15.39372  51.31763 13.30733 39.43385 14.54712 
11.88378       19.71557 
1 1 1 -15 42 12 o 47.51050 11.88640 29.26765       11.45550  40.32955       
15.71244  16.71592       16.73711  53.51513 14.20254 36.08094 14.63323 
17.43419       20.39224 
1 1 1 -15 42 13 o 49.61363 12.30235 32.72411       12.35080  46.13507       
17.34721  18.93725       17.58864  55.93875 14.95947 36.94310 14.99458 
18.99566       21.18073 
1 1 1 -15 42 14 o 40.24329 13.82013 23.70107       13.65829  25.49007       
17.90913  21.21401       21.11610  40.11861 15.48738 37.58638 15.93363 
2.532227       22.22025 
1 1 1 -15 43 1  o 22.86644 9.922945 2.906256       8.554994  7.784559       
25.33854  2.278621       9.088684  31.44869 14.89052 22.89899 10.07574 
8.549706       17.97911 
1 1 1 -15 43 2  o 23.64227 11.95431 -52.92949      28.00739  -52.92949      
28.00739  0.000000       0.000000  23.64227 11.95431 ?        ?        
0.000000       11.95431 
1 1 1 -15 43 3  o 46.40829 16.22446 37.64771       18.86454  59.52420       
31.01375  24.80046       23.76679  49.28206 19.94311 38.03360 16.52203 
11.24846       25.89797 
1 1 1 -15 43 4  o 41.13968 15.84276 28.03104       18.70471  4.058745       
29.83339  43.55795       24.00990  33.50924 15.95000 47.36120 18.01880 
-13.85197      24.06407 
1 1 1 -15 43 5  o 33.19126 14.52336 11.41926       18.65309  8.575002       
30.26456  13.16154       23.68693  35.06731 16.50279 35.00188 15.77267 
0.6543732E-01  22.82804 
1 1 1 -15 43 6  o 41.57107 16.54203 28.21587       20.96302  37.16980       
31.13595  20.79173       28.35166  43.51696 18.90742 38.39617 17.28341 
5.120792       25.61653 
1 1 1 -15 43 7  o 47.36378 16.79980 37.35922       20.28155  55.78307       
32.10550  25.12444       26.16298  50.51812 20.34439 40.00727 17.35712 
10.51085       26.74254 
1 1 1 -15 43 8  o 44.37929 16.86887 32.83627       21.03105  60.45499       
31.68742  11.09159       28.11653  52.87719 20.54803 35.87952 16.55149 
16.99767       26.38510 
1 1 1 -15 43 9  o 34.50782 15.46246 11.18401       22.40859  -2.519435      
33.73260  22.00773       29.97943  34.16494 16.44616 39.08953 17.66747 
-4.924595      24.13744 
1 1 1 -15 43 10 o 19.92619 8.795609 -0.9828991E-01 6.978929  -3.307763      
8.515184  6.468925       12.18057  19.94208 9.166178 28.39438 12.07198 
-8.452303      15.15755 
1 1 1 -15 43 11 o 63.78141 7.947481 46.68284       10.08440  50.71558       
13.71263  41.93297       14.88201  63.40523 11.03606 54.79226 13.45483 
8.612965       17.40193 
1 1 1 -15 43 12 o 28.41417 12.47812 5.444292       13.87988  7.495319       
34.70255  5.053696       15.14395  35.15808 16.86080 28.86340 12.83760 
6.294674       21.19175 
1 1 1 -15 43 13 o 52.98872 15.18865 44.23270       17.21080  44.23270       
17.21080  0.000000       0.000000  52.98872 15.18865 ?        ?        
0.000000       15.18865 
1 1 1 -15 44 3  o 31.61197 15.21818 5.552536       28.89407  5.552536       
28.89407  0.000000       0.000000  31.61197 15.21818 ?        ?        
0.000000       15.21818 
1 1 1 -15 44 4  o 39.17417 15.95307 28.26990       19.99038  39.62154       
30.33206  19.55329       26.57947  40.71591 18.13488 35.21569 16.18944 
5.500217       24.30991 
1 1 1 -15 44 5  o 52.21090 17.03140 49.92682       20.77692  84.92339       
32.98396  26.90652       26.75134  57.63228 21.28730 37.98490 16.96636 
19.64738       27.22143 
1 1 1 -15 44 6  o 23.38338 11.50729 -21.66500      19.24342  -37.83595      
30.08818  -10.47179      25.03257  26.45434 13.24264 28.48264 13.82093 
-2.028299      19.14120 
1 1 1 -15 44 7  o 37.96708 15.87500 23.76188       20.50729  31.00185       
32.02668  18.73054       26.69840  39.49636 18.01163 36.10704 16.45793 
3.389324       24.39840 
1 1 1 -15 44 8  o 26.93942 12.96337 -9.774185      20.91421  -17.54559      
34.45601  -5.240725      26.31662  30.68873 15.15834 30.18788 14.53034 
0.5008450      20.99776 
1 1 1 -15 44 9  o 29.39373 13.94349 -2.219225      22.42210  -9.091290      
35.20263  2.471953       29.08523  31.99638 15.70952 32.51083 15.55013 
-0.5144539     22.10420 
1 1 1 -15 44 10 o 20.85091 8.392285 3.478605       5.459937  5.497895       
6.323907  -2.434126      10.82132  23.57846 9.174789 22.37585 10.30269 
1.202610       13.79573 
1 1 1 -15 44 11 o 59.37992 8.145123 41.43891       9.576176  34.19471       
12.67929  51.05814       14.61066  49.22393 12.61036 61.34583 12.14184 
-12.12190      17.50558 
1 1 1 -15 44 12 o 20.65365 9.683371 -4.885603      10.25468  -17.17247      
13.22747  13.62345       16.23485  19.67864 9.655294 32.33629 13.84683 
-12.65765      16.88074 
1 1 1 -15 45 4  o 26.97565 13.40275 -17.60287      28.44411  -17.60287      
28.44411  0.000000       0.000000  26.97565 13.40275 ?        ?        
0.000000       13.40275 
1 1 1 -15 45 5  o 50.79514 17.56690 54.21138       22.08676  38.86614       
33.28330  66.28616       29.52427  38.14095 17.73749 48.94041 19.57966 
-10.79946      26.41934 
1 1 1 -15 45 6  o 29.36737 13.79724 4.200263       21.00240  -9.602345      
31.94609  14.70734       27.87264  29.59497 14.61391 33.23554 15.70043 
-3.640572      21.44924 
1 1 1 -15 45 7  o 25.59593 12.46750 -12.02695      20.90112  -40.95603      
32.28278  8.851020       27.42507  26.13706 13.16855 32.06990 15.27253 
-5.932840      20.16584 
1 1 1 -15 45 8  o 49.49115 17.64521 50.89324       22.40176  90.39902       
36.51445  27.04919       28.36772  53.33669 21.62006 36.69649 16.81656 
16.64020       27.39021 
1 1 1 -15 45 9  o 32.04144 14.75399 11.80888       22.19664  71.47382       
36.58781  -22.93955      27.92186  46.71494 20.39324 26.72552 13.27858 
19.98942       24.33526 
1 1 1 -15 45 10 o 56.60837 8.443581 38.66114       9.422546  1.613743       
36.34723  41.33024       9.756070  32.03989 15.77649 58.55681 8.436540 
-26.51693      17.89058 
1 1 1 -14 0  1  o 98.63641 9.666101 102.1369       18.96092  102.1369       
18.96092  102.1369       18.96092  98.63641 9.666101 98.63641 9.666101 
0.000000       0.000000 
1 1 1 -14 0  2  o 51.65987 23.07640 39.83041       25.76796  39.83041       
25.76796  39.83041       25.76796  51.65987 23.07640 51.65987 23.07640 
0.000000       0.000000 
1 1 1 -14 0  3  o 457.5141 6.958756 2133.429       64.70846  2133.429       
64.70846  2133.429       64.70846  457.5141 6.958756 457.5141 6.958756 
-0.000000      0.000000 
1 1 1 -14 0  4  o 26.57161 16.18262 6.463714       16.43123  6.463714       
16.43123  6.463714       16.43123  26.57161 16.18262 26.57161 16.18262 
0.000000       0.000000 
1 1 1 -14 0  5  o 22.58052 14.77090 -2.179382      16.76550  -2.179382      
16.76550  -2.179382      16.76550  22.58052 14.77090 22.58052 14.77090 
-0.000000      0.000000 
1 1 1 -14 0  6  o 211.2990 9.330067 457.7707       39.91188  457.7707       
39.91188  457.7707       39.91188  211.2990 9.330067 211.2990 9.330067 
-0.000000      0.000000 
1 1 1 -14 0  7  o 438.7183 9.707990 1965.309       86.51395  1965.309       
86.51395  1965.309       86.51395  438.7183 9.707990 438.7183 9.707990 
-0.000000      0.000000 
1 1 1 -14 0  8  o 204.9781 9.200994 430.8641       38.17656  430.8641       
38.17656  430.8641       38.17656  204.9781 9.200994 204.9781 9.200994 
-0.000000      0.000000 
1 1 1 -14 0  9  o 181.7341 9.108406 339.2094       33.46834  339.2094       
33.46834  339.2094       33.46834  181.7341 9.108406 181.7341 9.108406 
-0.000000      0.000000 
1 1 1 -14 0  10 o 333.3176 8.832154 1135.023       59.77043  1135.023       
59.77043  1135.023       59.77043  333.3176 8.832154 333.3176 8.832154 
-0.000000      0.000000 
1 1 1 -14 0  11 o 160.9462 9.898340 267.3172       32.11548  267.3172       
32.11548  267.3172       32.11548  160.9462 9.898340 160.9462 9.898340 
0.000000       0.000000 
1 1 1 -14 0  12 o 94.82310 10.04904 94.83698       18.87938  94.83698       
18.87938  94.83698       18.87938  94.82310 10.04904 94.82310 10.04904 
0.000000       0.000000 
1 1 1 -14 0  13 o 360.4713 6.585838 1325.256       48.23987  1325.256       
48.23987  1325.256       48.23987  360.4713 6.585838 360.4713 6.585838 
-0.000000      0.000000 
1 1 1 -14 0  14 o 149.4832 7.716577 229.7433       23.31409  229.7433       
23.31409  229.7433       23.31409  149.4832 7.716577 149.4832 7.716577 
0.000000       0.000000 
1 1 1 -14 0  15 o 38.45414 19.29358 22.61789       18.51260  22.61789       
18.51260  22.61789       18.51260  38.45414 19.29358 38.45414 19.29358 
0.000000       0.000000 
1 1 1 -14 0  16 o 566.8722 8.132915 3284.715       93.70901  3284.715       
93.70901  3284.715       93.70901  566.8722 8.132915 566.8722 8.132915 
-0.000000      0.000000 
1 1 1 -14 0  17 f 71.68111 16.37539 60.58821       20.79611  60.58821       
20.79611  60.58821       20.79611  71.68111 16.37539 71.68111 16.37539 
-0.000000      0.000000 
1 1 1 -14 0  18 o 285.2518 6.840401 832.3708       39.62752  832.3708       
39.62752  832.3708       39.62752  285.2518 6.840401 285.2518 6.840401 
-0.000000      0.000000 
1 1 1 -14 0  19 o 153.8532 8.880380 245.1085       27.57186  245.1085       
27.57186  245.1085       27.57186  153.8532 8.880380 153.8532 8.880380 
0.000000       0.000000 
1 1 1 -14 0  20 o 18.44121 13.12234 -28.84093      21.35571  -28.84093      
21.35571  -28.84093      21.35571  18.44121 13.12234 18.44121 13.12234 
-0.000000      0.000000 
1 1 1 -14 0  21 o 149.9972 9.663383 234.5539       29.19511  234.5539       
29.19511  234.5539       29.19511  149.9972 9.663383 149.9972 9.663383 
0.000000       0.000000 
1 1 1 -14 0  22 o 70.10622 20.60870 64.02823       25.52911  64.02823       
25.52911  64.02823       25.52911  70.10622 20.60870 70.10622 20.60870 
0.000000       0.000000 
1 1 1 -14 0  23 o 51.23821 22.87697 42.01695       25.32493  42.01695       
25.32493  42.01695       25.32493  51.23821 22.87697 51.23821 22.87697 
-0.000000      0.000000 
1 1 1 -14 0  24 o 214.4555 8.673695 480.6136       37.68559  480.6136       
37.68559  480.6136       37.68559  214.4555 8.673695 214.4555 8.673695 
0.000000       0.000000 
1 1 1 -14 0  25 f 102.9771 23.65154 143.9479       43.12640  143.9479       
43.12640  143.9479       43.12640  102.9771 23.65154 102.9771 23.65154 
-0.000000      0.000000 
1 1 1 -14 0  26 o 38.37625 22.00986 30.41685       27.28645  30.41685       
27.28645  30.41685       27.28645  38.37625 22.00986 38.37625 22.00986 
-0.000000      0.000000 
1 1 1 -14 1  1  o 105.8893 7.299102 115.0832       15.62113  113.7069       
18.91997  118.0305       27.68756  105.0037 8.945926 106.1680 13.10245 
-1.164299      15.86518 
1 1 1 -14 1  2  o 124.7861 8.279754 159.8831       20.89112  159.8747       
29.35610  159.8918       29.73657  124.1711 11.76631 124.1450 11.92581 
0.2604675E-01  16.75324 
1 1 1 -14 1  3  f 328.7665 5.034086 1101.017       33.65578  1090.236       
58.01026  1106.487       41.32101  326.5512 8.735787 329.4308 6.168155 
-2.879547      10.69393 
1 1 1 -14 1  4  o 131.6552 6.147844 176.6808       16.45934  163.9831       
28.44416  183.0729       20.18132  125.9821 11.22026 133.7314 7.450627 
-7.749367      13.46871 
1 1 1 -14 1  5  o 162.5026 4.918166 268.9044       16.25230  232.6671       
22.58849  307.7971       23.40151  151.0163 7.355497 173.7509 6.623161 
-22.73463      9.897960 
1 1 1 -14 1  6  o 102.3159 6.630784 107.1659       13.72193  101.5783       
19.35591  112.8115       19.45596  99.20335 9.719652 104.6646 9.235882 
-5.461266      13.40795 
1 1 1 -14 1  7  o 213.8983 4.457940 465.7421       19.39067  462.7018       
27.30198  468.8368       27.54473  213.0744 6.301030 214.4812 6.315358 
-1.406815      8.921139 
1 1 1 -14 1  8  o 431.1276 4.788684 1892.459       41.98299  1847.033       
58.55889  1940.501       60.22187  425.6324 6.765606 436.2651 6.788164 
-10.63263      9.583976 
1 1 1 -14 1  9  o 152.3080 5.217268 236.2620       16.15910  250.9063       
23.18551  222.4300       22.53327  156.8338 7.269854 147.4571 7.539835 
9.376663       10.47377 
1 1 1 -14 1  10 o 517.6202 6.099811 2730.820       64.20650  2649.942       
108.3562  2774.584       79.70680  508.7028 10.47462 521.4252 7.517128 
-12.72238      12.89283 
1 1 1 -14 1  11 f 111.9756 7.277681 128.4944       16.48179  99.57999       
20.31757  184.1396       28.18572  98.06492 10.34450 133.6658 10.45270 
-35.60090      14.70604 
1 1 1 -14 1  12 o 56.06350 12.93100 33.63630       14.44149  30.42886       
17.81413  39.78535       24.66545  53.62230 15.47659 61.36665 18.34748 
-7.744350      24.00323 
1 1 1 -14 1  13 o 310.8315 5.175824 984.5530       32.71568  994.9439       
40.49495  965.0254       55.51374  312.2875 6.376682 307.0678 8.890265 
5.219666       10.94070 
1 1 1 -14 1  14 o 72.50281 10.59308 55.09652       15.15728  60.87089       
18.70018  44.03704       25.87978  75.86600 12.56072 64.11320 18.69739 
11.75281       22.52474 
1 1 1 -14 1  15 o 140.8247 6.516109 202.4991       18.66030  211.9608       
23.53053  186.4653       30.63137  143.6898 8.085803 134.1002 11.33900 
9.589645       13.92671 
1 1 1 -14 1  16 o 65.77650 12.52285 46.16114       16.13858  44.04442       
19.94445  50.17568       27.46683  63.74883 15.52863 67.92195 19.09170 
-4.173119      24.60958 
1 1 1 -14 1  17 o 113.2969 7.912938 132.1029       18.11637  163.7178       
22.75949  77.43172       29.92924  125.9926 8.941194 84.18501 18.02636 
41.80762       20.12199 
1 1 1 -14 1  18 o 160.0856 5.792680 261.6972       18.85746  256.4906       
25.88742  267.5832       27.52479  157.9615 8.086201 161.2761 8.421936 
-3.314590      11.67543 
1 1 1 -14 1  19 o 135.9631 7.930530 190.2561       21.83160  161.2621       
38.48077  204.0181       26.51123  122.9059 15.75942 140.4924 9.332620 
-17.58648      18.31549 
1 1 1 -14 1  20 o 133.7046 7.761591 184.0329       21.01240  214.5768       
35.67928  167.8141       25.99940  143.1143 12.38173 127.0932 10.14433 
16.02109       16.00670 
1 1 1 -14 1  21 o 256.6142 5.284432 672.5598       27.57595  699.3295       
39.33342  646.6833       38.67157  261.1081 7.407812 251.0373 7.575340 
10.07080       10.59535 
1 1 1 -14 1  22 f 269.0624 5.359006 739.8887       29.32167  710.2080       
40.48675  772.6288       42.52231  262.9377 7.571965 274.2296 7.625198 
-11.29187      10.74608 
1 1 1 -14 1  23 o 120.9422 8.255401 151.6013       20.18204  154.5238       
28.50988  148.6657       28.57365  120.9571 11.73858 118.5147 12.02251 
2.442413       16.80283 
1 1 1 -14 1  24 o 92.25488 10.45787 90.21549       19.27271  81.16245       
26.95798  99.67986       27.56358  85.12924 16.16360 95.25919 14.70233 
-10.12995      21.84995 
1 1 1 -14 1  25 f 114.7974 13.54324 144.8219       31.00724  133.1439       
43.70132  156.6612       44.00194  104.6139 21.26719 115.1721 19.48247 
-10.55823      28.84199 
1 1 1 -14 1  26 o 86.21139 11.33395 81.39397       19.38840  105.0518       
28.48802  60.98064       26.46255  95.63878 15.15307 70.59193 18.28705 
25.04685       23.74936 
1 1 1 -14 2  1  o 238.4733 6.173644 580.2079       29.93868  614.9594       
43.18474  548.0494       41.54239  245.1064 8.664114 231.3584 8.829880 
13.74806       12.37068 
1 1 1 -14 2  2  o 338.3586 5.104411 1166.506       35.12160  1144.920       
60.28226  1177.598       43.21354  334.5083 8.861989 339.7851 6.254089 
-5.276825      10.84659 
1 1 1 -14 2  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -14 2  4  o 502.8127 5.953213 2576.713       60.87080  2345.791       
98.41577  2719.784       77.46548  478.6839 10.11031 516.2548 7.378918 
-37.57092      12.51666 
1 1 1 -14 2  5  o 156.9277 4.976615 250.7829       15.88127  252.5008       
22.70963  249.1386       22.21745  157.3376 7.097842 156.2940 6.990378 
1.043594       9.962166 
1 1 1 -14 2  6  o 299.0634 5.049086 910.7889       30.70629  833.0255       
51.81183  952.8892       38.12268  285.5447 8.922846 305.7855 6.130771 
-20.24078      10.82606 
1 1 1 -14 2  7  f 377.4177 4.596372 1450.148       35.27677  1348.589       
48.03875  1569.012       51.97068  363.7341 6.494659 392.3322 6.514078 
-28.59818      9.198576 
1 1 1 -14 2  8  o 276.0162 4.385175 775.5188       24.61348  735.5842       
34.31725  817.8259       35.32191  268.6526 6.281594 283.2889 6.131450 
-14.63629      8.777990 
1 1 1 -14 2  9  o 106.9555 6.959452 117.1521       15.05425  87.89436       
25.13262  133.5235       18.80007  91.41582 13.96254 114.0723 8.158380 
-22.65649      16.17132 
1 1 1 -14 2  10 o 245.9531 4.986803 616.0741       24.94169  657.1362       
43.61372  596.1188       30.40412  253.6308 8.456092 241.8313 6.182561 
11.79951       10.47519 
1 1 1 -14 2  11 o 218.4630 5.212142 486.1920       23.15504  484.1721       
28.49763  490.1161       39.72208  217.9001 6.431319 218.9397 8.921875 
-1.039612      10.99826 
1 1 1 -14 2  12 o 147.0961 10.22724 222.8033       30.40199  0.000000       
0.000000  222.8033       30.40199  ?        ?        147.0961 10.22724 
0.000000       10.22724 
1 1 1 -14 2  13 o 356.5699 4.627110 1295.057       33.55104  1303.849       
47.91706  1286.601       46.99309  357.4488 6.592116 355.0931 6.507893 
2.355743       9.263296 
1 1 1 -14 2  14 o 374.2678 4.697252 1427.140       35.75013  1474.707       
51.60648  1383.251       49.57154  380.0612 6.677274 368.0999 6.622399 
11.96136       9.404368 
1 1 1 -14 2  15 o 64.32500 10.72651 43.66211       13.53691  42.22783       
19.45505  45.00822       18.84757  62.49105 15.40716 64.59494 14.68144 
-2.103889      21.28204 
1 1 1 -14 2  16 o 403.2439 4.900449 1657.655       40.18418  1603.865       
55.71165  1715.986       58.01642  396.1343 6.915955 409.7320 6.963051 
-13.59775      9.813995 
1 1 1 -14 2  17 o 32.10775 13.07558 4.324536       13.42959  6.889288       
18.86389  1.688732       19.12340  38.32399 15.53787 35.95160 15.19756 
2.372387       21.73456 
1 1 1 -14 2  18 o 146.3081 7.093581 219.0666       21.10500  205.7911       
24.99458  252.0442       39.39413  141.3072 8.741135 155.3861 12.57499 
-14.07889      15.31462 
1 1 1 -14 2  19 o 306.3707 5.778291 958.8876       35.99963  989.4033       
63.31382  944.3088       43.76211  309.7319 10.05220 303.6722 7.086664 
6.059692       12.29909 
1 1 1 -14 2  20 o 110.9232 8.959202 127.4276       20.03643  126.0283       
32.34963  128.2984       25.52093  108.5462 15.06147 110.6570 11.50981 
-2.110794      18.95583 
1 1 1 -14 2  21 f 215.9261 5.691327 476.5388       24.99022  485.8831       
34.48360  466.2033       36.26680  217.5374 7.795198 212.9265 8.375834 
4.610870       11.44201 
1 1 1 -14 2  22 o 221.5315 6.453968 502.7488       29.07460  465.9774       
35.40350  578.9211       50.95534  212.7940 8.181547 236.2248 10.60749 
-23.43083      13.39614 
1 1 1 -14 2  23 o 92.71017 11.61270 91.23909       21.41302  101.4379       
26.65887  72.69534       35.94729  96.98759 13.91549 79.17091 21.68790 
17.81667       25.76831 
1 1 1 -14 2  24 o 129.0635 9.401329 174.4394       24.50462  171.3568       
30.15632  180.4314       42.04343  126.8526 11.82670 127.5244 16.60658 
-0.6717758     20.38748 
1 1 1 -14 2  25 o 70.42144 18.85263 59.26534       27.53376  59.26534       
27.53376  0.000000       0.000000  70.42144 18.85263 ?        ?        
0.000000       18.85263 
1 1 1 -14 2  26 o 77.25781 14.57511 68.57367       22.05882  61.97562       
27.43604  80.63686       37.09751  70.86826 18.74813 78.38567 22.24219 
-7.517410      29.08965 
1 1 1 -14 3  1  o 198.5756 4.464505 401.6594       18.02813  382.8729       
24.49415  423.8666       26.63093  193.7119 6.218057 203.7943 6.426033 
-10.08238      8.941931 
1 1 1 -14 3  2  o 199.3981 4.456892 404.9176       18.07194  448.7068       
26.27263  365.5911       24.89790  209.7489 6.159597 189.2987 6.467906 
20.45029       8.931654 
1 1 1 -14 3  3  o 92.30801 7.935468 87.67348       14.75097  98.69321       
26.32837  82.63177       17.80850  96.92671 13.74248 89.27783 9.979918 
7.648880       16.98395 
1 1 1 -14 3  4  o 285.2437 6.008848 829.3138       34.85449  0.000000       
0.000000  829.3138       34.85449  ?        ?        285.2437 6.008848 
0.000000       6.008848 
1 1 1 -14 3  5  o 164.7912 6.641459 276.8929       22.25610  0.000000       
0.000000  276.8929       22.25610  ?        ?        164.7912 6.641459 
0.000000       6.641459 
1 1 1 -14 3  6  o 104.8577 9.166007 113.2155       19.34844  0.000000       
0.000000  113.2155       19.34844  ?        ?        104.8577 9.166007 
0.000000       9.166007 
1 1 1 -14 3  7  o 222.7829 6.135611 505.7917       27.79656  0.000000       
0.000000  505.7917       27.79656  ?        ?        222.7829 6.135611 
0.000000       6.135611 
1 1 1 -14 3  8  o 271.8155 5.989929 752.8667       33.10910  0.000000       
0.000000  752.8667       33.10910  ?        ?        271.8155 5.989929 
0.000000       5.989929 
1 1 1 -14 3  9  o 191.6438 5.211751 374.0700       20.31094  280.1646       
34.09723  425.7162       25.28676  165.1459 10.20310 204.3827 6.084118 
-39.23680      11.87938 
1 1 1 -14 3  10 o 55.68310 11.25072 32.91725       12.30118  25.89767       
17.63914  39.56345       17.16360  50.18803 15.61789 60.78155 14.15080 
-10.59351      21.07519 
1 1 1 -14 3  11 o 167.3243 4.897363 285.1550       16.66375  268.0036       
23.34702  302.9655       23.79146  162.0632 7.084281 172.3352 6.788843 
-10.27199      9.812004 
1 1 1 -14 3  12 o 222.3586 5.208874 503.7778       23.55316  531.4052       
29.51003  455.2908       39.09426  228.2573 6.357603 210.9326 9.114184 
17.32469       11.11249 
1 1 1 -14 3  13 o 156.4532 5.237102 249.4576       16.66199  242.8302       
23.52848  256.1248       23.59890  154.1730 7.504714 158.3546 7.328407 
-4.181580      10.48934 
1 1 1 -14 3  14 o 163.4424 5.141564 272.2795       17.08879  261.0287       
23.98981  283.8693       24.34858  159.8226 7.381374 166.6906 7.183087 
-6.868011      10.29958 
1 1 1 -14 3  15 o 207.8273 4.792208 440.1881       20.25301  483.0957       
28.91146  398.8432       28.38011  217.5032 6.536615 197.5571 7.064314 
19.94612       9.624545 
1 1 1 -14 3  16 o 50.68959 13.00234 27.61180       13.46779  16.78239       
18.45752  39.94245       19.69535  43.89992 15.96933 60.73111 15.79789 
-16.83119      22.46314 
1 1 1 -14 3  17 o 116.7878 6.605521 139.8402       15.62328  163.8170       
22.11332  115.9442       22.07605  126.0759 8.678079 105.6133 10.41459 
20.46255       13.55628 
1 1 1 -14 3  18 o 189.9491 6.154924 368.6668       23.77450  395.9237       
28.85676  311.0699       41.94772  196.6650 7.215543 172.9028 12.00479 
23.76219       14.00640 
1 1 1 -14 3  19 o 237.8378 5.943820 578.0540       28.74735  575.5060       
50.04040  579.3091       35.12128  236.0867 10.42312 237.8018 7.262796 
-1.715073      12.70393 
1 1 1 -14 3  20 o 62.53320 14.72539 42.65048       18.41576  79.46713       
31.84970  24.15991       22.57140  84.57750 18.98401 50.23312 17.73295 
34.34438       25.97788 
1 1 1 -14 3  21 o 109.6417 9.559466 124.9389       21.10058  99.74294       
26.18888  171.5602       35.62403  96.71410 13.69913 127.1924 14.00515 
-30.47831      19.59107 
1 1 1 -14 3  22 o 281.5493 5.306087 810.1265       30.37947  808.3028       
42.60960  812.0120       43.32546  280.5303 7.469238 281.1315 7.578482 
-0.6012573     10.64063 
1 1 1 -14 3  23 o 49.65201 15.81238 26.26546       17.98162  53.54346       
25.93583  1.016894       24.95239  68.83035 18.23760 39.78795 17.10555 
29.04240       25.00420 
1 1 1 -14 3  24 o 99.98510 10.02669 105.5090       20.11190  80.97350       
27.76002  132.6150       29.17798  84.72973 16.70513 110.8155 13.20825 
-26.08581      21.29599 
1 1 1 -14 3  25 o 66.25101 16.66541 51.14352       22.43187  73.37623       
26.80983  -0.7505709     40.95971  79.38767 17.11110 47.35344 21.08379 
32.03424       27.15357 
1 1 1 -14 3  26 o 57.34725 15.78691 38.85098       18.99239  44.08461       
27.92447  34.34612       25.90740  59.85091 19.75555 54.18578 19.00944 
5.665131       27.41606 
1 1 1 -14 4  1  o 309.3928 6.022902 976.5418       37.89373  0.000000       
0.000000  976.5418       37.89373  ?        ?        309.3928 6.022902 
0.000000       6.022902 
1 1 1 -14 4  2  o 147.3226 4.882565 221.1148       14.62746  183.1682       
20.00222  264.7365       21.44586  133.7159 7.384658 161.0742 6.547358 
-27.35835      9.869198 
1 1 1 -14 4  3  f 194.2944 4.516348 384.4219       17.84428  379.0058       
25.29346  389.7887       25.17818  192.7671 6.452440 195.5012 6.333204 
-2.734116      9.041209 
1 1 1 -14 4  4  o 344.6547 6.159654 1210.958       43.17098  0.000000       
0.000000  1210.958       43.17098  ?        ?        344.6547 6.159654 
0.000000       6.159654 
1 1 1 -14 4  5  o 355.2878 6.216835 1286.686       44.91601  0.000000       
0.000000  1286.686       44.91601  ?        ?        355.2878 6.216835 
0.000000       6.216835 
1 1 1 -14 4  6  o 284.0286 5.964567 822.0735       34.45026  0.000000       
0.000000  822.0735       34.45026  ?        ?        284.0286 5.964567 
0.000000       5.964567 
1 1 1 -14 4  7  o 150.7928 6.877155 231.8704       21.08827  0.000000       
0.000000  231.8704       21.08827  ?        ?        150.7928 6.877155 
0.000000       6.877155 
1 1 1 -14 4  8  o 447.7217 6.845300 2044.090       62.32353  0.000000       
0.000000  2044.090       62.32353  ?        ?        447.7217 6.845300 
0.000000       6.845300 
1 1 1 -14 4  9  o 260.7761 6.025861 693.0534       31.95496  0.000000       
0.000000  693.0534       31.95496  ?        ?        260.7761 6.025861 
0.000000       6.025861 
1 1 1 -14 4  10 o 113.6153 6.061592 131.9469       13.95414  128.5603       
20.30157  134.9796       19.21177  111.7830 9.007484 114.6568 8.295815 
-2.873833      12.24562 
1 1 1 -14 4  11 f 298.7471 5.088518 909.1653       30.91338  928.9896       
55.25034  900.1309       37.29805  301.3838 9.014956 297.1279 6.172928 
4.255859       10.92586 
1 1 1 -14 4  12 o 280.0181 6.260807 799.7033       35.65068  793.0457       
51.89025  805.6555       49.06374  278.3617 9.166949 280.6771 8.596116 
-2.315369      12.56687 
1 1 1 -14 4  13 o 109.5529 7.610797 123.2194       16.85007  129.0002       
29.62059  120.4537       20.48810  111.0224 13.39022 108.0310 9.420407 
2.991379       16.37199 
1 1 1 -14 4  14 o 313.3658 5.257142 1001.041       33.50061  1047.694       
59.54411  979.4336       40.52248  319.7430 9.157698 309.7659 6.432963 
9.977142       11.19136 
1 1 1 -14 4  15 o 145.7036 6.452682 216.7784       19.11886  253.1981       
33.52707  199.2280       23.27396  156.5584 10.59330 139.2533 8.255723 
17.30511       13.43037 
1 1 1 -14 4  16 o 92.34311 9.111040 88.32618       16.88595  66.03883       
28.35674  100.5714       21.01895  77.68291 18.25897 98.27567 10.68994 
-20.59276      21.15809 
1 1 1 -14 4  17 o 86.05290 8.836867 76.77544       15.24420  98.40453       
22.19288  57.45382       20.97569  96.96827 11.47735 73.01379 14.63697 
23.95448       18.60028 
1 1 1 -14 4  18 o 160.6266 6.729196 263.8983       21.98022  251.9060       
25.98906  294.0270       41.19378  156.5025 8.194655 168.0194 12.13817 
-11.51689      14.64539 
1 1 1 -14 4  19 o 176.0831 6.580200 317.2186       23.56179  258.0622       
40.29673  347.9496       29.04401  157.0103 12.73050 184.1933 7.754098 
-27.18295      14.90609 
1 1 1 -14 4  20 o 156.9374 7.184964 252.4245       22.92992  189.3432       
37.93179  288.7503       28.78466  133.7249 14.16453 167.3814 8.484462 
-33.65659      16.51121 
1 1 1 -14 4  21 o 139.5447 7.904389 200.6385       22.33805  194.7147       
27.59477  211.9000       38.04710  136.9263 9.979023 141.7330 13.35835 
-4.806656      16.67413 
1 1 1 -14 4  22 o 154.9887 6.905822 246.3891       21.76541  210.9949       
29.88276  286.3832       31.76531  142.2858 10.39985 166.2142 9.436862 
-23.92845      14.04319 
1 1 1 -14 4  23 o 62.26765 14.87399 42.92149       18.57553  52.35488       
27.12244  34.58768       25.49276  67.95661 18.92597 56.83560 18.88135 
11.12101       26.73383 
1 1 1 -14 4  24 o 97.87286 10.22231 101.3232       20.04501  88.95211       
28.21475  113.9307       28.48301  89.12451 16.16302 102.1724 14.08313 
-13.04787      21.43777 
1 1 1 -14 4  25 o 48.50873 17.80360 23.97936       23.01442  30.78632       
28.02231  9.872994       40.33993  53.65289 19.65234 50.01237 21.62518 
3.640514       29.22094 
1 1 1 -14 4  26 o 99.36255 11.77358 108.4974       23.32665  56.91970       
39.14176  136.9050       29.04867  65.91901 23.34311 110.7671 13.15335 
-44.84809      26.79387 
1 1 1 -14 5  1  o 237.5730 5.950883 575.7803       28.74948  0.000000       
0.000000  575.7803       28.74948  ?        ?        237.5730 5.950883 
0.000000       5.950883 
1 1 1 -14 5  2  o 67.13444 8.938483 46.93222       11.89957  38.68636       
17.41117  54.15984       16.30073  59.98019 14.44668 71.70144 11.57380 
-11.72124      18.51106 
1 1 1 -14 5  3  o 191.7195 5.196486 374.5033       20.25944  340.6721       
35.48631  390.8620       24.67614  182.1494 9.614415 195.7762 6.198202 
-13.62683      11.43917 
1 1 1 -14 5  4  o 289.3292 4.928042 852.6146       28.99467  891.0621       
52.68447  835.9102       34.72678  295.2307 8.775456 286.3667 5.963352 
8.863922       10.60991 
1 1 1 -14 5  5  o 532.2303 6.160025 2887.473       66.67046  3050.233       
121.8414  2817.911       79.65331  545.5273 10.98315 525.4725 7.454223 
20.05475       13.27385 
1 1 1 -14 5  6  o 402.6575 5.315510 1651.500       43.52433  1619.216       
74.41263  1668.288       53.66074  397.9867 9.194470 404.5139 6.523367 
-6.527252      11.27354 
1 1 1 -14 5  7  o 346.8128 5.111194 1224.975       36.04698  1330.670       
65.08185  1178.201       43.29436  360.8687 8.868686 339.9870 6.262065 
20.88168       10.85666 
1 1 1 -14 5  8  o 163.0588 5.606825 270.8797       18.59142  312.5075       
35.97157  255.7072       21.71682  174.4493 10.18428 158.3558 6.743893 
16.09344       12.21473 
1 1 1 -14 5  9  o 227.4219 5.045784 526.7574       23.33525  562.6184       
42.31303  511.0834       27.97384  234.6276 8.868368 223.9228 6.143308 
10.70474       10.78834 
1 1 1 -14 5  10 o 26.87277 11.60677 -1.319876      11.59487  -15.92142      
16.47272  13.01839       16.32354  26.45333 12.36088 40.29243 14.95687 
-13.83910      19.40359 
1 1 1 -14 5  11 o 636.6447 6.031743 4132.224       78.08926  4164.191       
111.2783  4101.208       109.6104  638.2282 8.573991 633.4089 8.509738 
4.819336       12.08011 
1 1 1 -14 5  12 o 218.2143 4.545565 484.9601       20.17077  468.8758       
28.28285  501.6090       28.77508  214.3816 6.487602 221.7507 6.381166 
-7.369095      9.099904 
1 1 1 -14 5  13 o 111.4121 7.201783 127.3015       16.22906  135.7822       
20.02433  111.0673       27.70483  114.8686 8.635648 102.8437 13.57936 
12.02490       16.09265 
1 1 1 -14 5  14 o 142.6985 7.823567 208.8683       22.61604  208.8683       
22.61604  0.000000       0.000000  142.6985 7.823567 ?        ?        
0.000000       7.823567 
1 1 1 -14 5  15 o 266.4911 4.550254 723.6409       24.65867  747.5607       
34.78465  699.4775       34.96129  270.5888 6.321590 261.6986 6.569533 
8.890167       9.117086 
1 1 1 -14 5  16 o 428.4293 4.983782 1871.510       43.41998  1823.057       
60.24343  1923.890       62.63671  422.2695 7.015660 433.7608 7.101126 
-11.49130      9.982259 
1 1 1 -14 5  17 o 336.0509 4.790817 1151.452       32.73905  1158.529       
46.10925  1144.256       46.49316  336.6234 6.735848 334.5162 6.834716 
2.107239       9.596092 
1 1 1 -14 5  18 o 105.1610 8.835145 114.3873       18.71873  130.3917       
22.77558  81.07408       32.85918  112.0471 10.10451 85.62746 19.32907 
26.41963       21.81087 
1 1 1 -14 5  19 o 281.2435 5.003113 807.1763       28.61372  791.0873       
40.63315  823.0031       40.30071  277.8887 7.190485 283.4970 6.990573 
-5.608307      10.02852 
1 1 1 -14 5  20 o 152.5484 6.393715 238.1234       19.83410  227.7247       
28.71009  247.6175       27.43279  148.3030 9.571006 154.8949 8.745014 
-6.591934      12.96455 
1 1 1 -14 5  21 o 76.01289 13.11296 61.98637       19.53704  98.09605       
25.72749  12.79819       30.02728  95.91420 13.56926 48.27055 19.59200 
47.64365       23.83214 
1 1 1 -14 5  22 o 189.2423 5.924267 366.5203       22.79839  356.3229       
32.08989  376.9131       32.39588  185.9547 8.486130 191.2990 8.327711 
-5.344299      11.88971 
1 1 1 -14 5  23 o 112.3034 8.883824 131.3135       20.12261  153.8555       
28.63319  109.3158       28.28534  120.5766 11.82999 100.5370 14.23280 
20.03964       18.50733 
1 1 1 -14 5  24 o 38.38650 15.55838 8.499083       18.90740  14.37520       
27.09294  2.920218       26.39878  46.21261 18.66129 41.06705 17.62316 
5.145565       25.66748 
1 1 1 -14 5  25 o 88.35497 11.65943 84.84515       20.43712  66.96072       
28.76739  103.0694       29.03943  74.65150 18.92445 95.34013 15.51153 
-20.68862      24.46922 
1 1 1 -14 5  26 o 34.83803 15.42809 -1.827172      21.64438  4.498635       
39.49364  -4.542826      25.87655  46.78902 20.77457 36.85315 16.55741 
9.935875       26.56559 
1 1 1 -14 6  1  o 83.92686 6.947810 72.43652       11.75106  64.16945       
16.66986  80.60252       16.56764  78.30276 10.75283 88.17790 9.383703 
-9.875137      14.27155 
1 1 1 -14 6  2  o 275.0437 4.932651 770.7956       27.58885  683.9991       
46.38256  818.3174       34.32021  258.4982 8.823599 283.2589 5.958200 
-24.76065      10.64688 
1 1 1 -14 6  3  o 193.7801 5.164859 382.6075       20.35256  352.6447       
36.70014  395.9148       24.45805  185.2834 9.775057 197.0390 6.104053 
-11.75557      11.52437 
1 1 1 -14 6  4  o 210.1973 4.280456 449.8378       18.29653  424.0295       
25.78244  476.0209       25.96896  203.9275 6.217228 216.0975 5.909536 
-12.16997      8.577678 
1 1 1 -14 6  5  o 216.4888 4.250389 477.1230       18.71180  459.2202       
26.34317  495.3538       26.58344  212.2490 6.103388 220.4570 5.929742 
-8.208038      8.509593 
1 1 1 -14 6  6  o 327.4217 4.329967 1091.373       28.82992  1147.174       
42.07581  1041.990       39.58173  335.4748 6.167671 319.7357 6.087686 
15.73917       8.666030 
1 1 1 -14 6  7  o 380.8330 4.521968 1476.613       35.01979  1429.286       
48.75003  1527.076       50.33911  374.4310 6.402531 387.0292 6.396029 
-12.59818      9.049950 
1 1 1 -14 6  8  o 405.7416 4.641673 1676.227       38.29795  1640.594       
53.64147  1713.277       54.69691  401.1213 6.576177 409.9130 6.561750 
-8.791656      9.289924 
1 1 1 -14 6  9  o 360.0588 5.205866 1320.571       38.11692  1482.385       
71.51949  1256.374       45.04794  380.7351 9.237406 351.0476 6.310410 
29.68753       11.18709 
1 1 1 -14 6  10 o 38.99125 13.78521 13.68234       13.64522  26.59537       
24.68795  8.002478       16.37344  53.24145 18.56348 37.13900 14.66957 
16.10245       23.66007 
1 1 1 -14 6  11 o 93.45115 6.917358 89.60150       13.05210  94.11861       
18.82320  85.41831       18.11411  95.36426 9.848166 90.77998 9.976993 
4.584274       14.01880 
1 1 1 -14 6  12 o 234.3574 4.446124 559.3486       21.18906  590.2760       
30.22145  529.4457       29.71665  240.5682 6.177684 227.8076 6.414756 
12.76053       8.905778 
1 1 1 -14 6  13 o 179.1646 5.507118 327.2663       20.06449  320.3796       
24.88889  340.0501       33.91023  177.1321 6.909664 181.9644 9.193957 
-4.832275      11.50097 
1 1 1 -14 6  14 o 293.2715 4.511840 876.2388       26.90760  935.1469       
38.91856  822.2940       37.24292  302.6804 6.322968 283.8069 6.453115 
18.87357       9.034525 
1 1 1 -14 6  15 o 90.87135 7.720392 85.08858       14.13142  102.2387       
20.31900  69.02200       19.66665  99.22092 10.21648 80.85915 12.35245 
18.36177       16.02996 
1 1 1 -14 6  16 o 181.5039 5.137198 335.9715       18.96111  368.1731       
27.08249  305.0112       26.55538  189.7559 7.018462 172.6357 7.564333 
17.12021       10.31882 
1 1 1 -14 6  17 o 231.9759 6.835631 550.3192       32.24578  550.3192       
32.24578  0.000000       0.000000  231.9759 6.835631 ?        ?        
0.000000       6.835631 
1 1 1 -14 6  18 o 105.9218 7.598818 115.5438       16.25875  144.1798       
22.51872  84.35960       23.49930  118.0015 9.463991 89.09920 13.38331 
28.90234       16.39147 
1 1 1 -14 6  19 f 109.2740 7.504239 122.9829       16.57428  96.44253       
23.03699  151.4630       23.86403  95.64977 12.11539 120.8166 9.797661 
-25.16683      15.58129 
1 1 1 -14 6  20 o 211.0099 5.384113 454.7927       23.10300  472.9624       
33.53815  438.3848       31.87074  214.6769 7.682498 206.7054 7.582091 
7.971497       10.79393 
1 1 1 -14 6  21 o 82.69716 11.57666 72.37379       18.93457  72.80553       
23.85464  71.63857       31.12975  81.97741 14.85665 79.96635 19.35216 
2.011063       24.39725 
1 1 1 -14 6  22 o 205.1354 5.719687 430.5251       23.85966  403.5226       
33.18119  459.4359       34.33363  197.9396 8.243429 211.2898 7.990790 
-13.35025      11.48072 
1 1 1 -14 6  23 o 29.45979 13.37462 -8.966798      17.40981  -6.423003      
23.78336  -11.90352      25.55429  36.08236 16.06565 35.71072 16.20916 
0.3716393      22.82196 
1 1 1 -14 6  24 o 41.35078 15.70790 14.52644       18.22866  8.253465       
26.46402  20.18967       25.14497  43.17558 18.04168 47.97453 18.39499 
-4.798950      25.76583 
1 1 1 -14 6  25 o 28.17175 13.17054 -15.26590      18.73974  -13.31201      
26.35334  -17.26452      26.65319  35.06234 16.11949 34.20365 15.89523 
0.8586922      22.63838 
1 1 1 -14 6  26 o 87.40704 12.92573 85.68067       22.28194  145.7720       
38.64692  55.75946       27.27085  110.2593 17.84629 66.73534 19.11625 
43.52399       26.15189 
1 1 1 -14 7  1  o 365.5260 6.227269 1363.694       46.28788  0.000000       
0.000000  1363.694       46.28788  ?        ?        365.5260 6.227269 
0.000000       6.227269 
1 1 1 -14 7  2  o 94.25716 7.577106 91.37304       14.40071  104.6211       
28.00061  86.60867       16.79166  99.59383 14.23018 91.50677 9.146303 
8.087067       16.91605 
1 1 1 -14 7  3  o 156.6452 4.724081 249.9449       15.04824  257.7055       
21.92521  243.0332       20.69122  158.9053 6.785061 154.3316 6.592953 
4.573792       9.460660 
1 1 1 -14 7  4  o 184.6064 4.463951 347.0303       16.75783  336.6691       
23.49506  357.7595       23.90863  181.6894 6.359101 187.3011 6.277157 
-5.611755      8.935371 
1 1 1 -14 7  5  o 109.9874 5.786335 123.6319       12.89639  138.4662       
19.07825  111.1501       17.50025  116.1450 8.128925 103.9681 8.347766 
12.17697       11.65181 
1 1 1 -14 7  6  o 356.5058 4.415665 1293.995       32.01210  1282.036       
45.31133  1305.912       45.23266  354.6130 6.283486 357.9103 6.214790 
-3.297333      8.837749 
1 1 1 -14 7  7  o 180.2947 4.594445 330.9812       16.84486  377.7212       
24.67023  290.1575       23.05606  192.4845 6.302691 168.6737 6.721810 
23.81078       9.214480 
1 1 1 -14 7  8  o 158.9704 4.768212 257.3487       15.41428  247.2524       
21.69590  267.6393       21.90375  155.6934 6.852612 162.0001 6.648930 
-6.306671      9.548119 
1 1 1 -14 7  9  o 125.1804 5.447234 159.6591       13.86641  170.5881       
20.03518  149.6108       19.21090  129.0378 7.669796 120.7893 7.863971 
8.248528       10.98489 
1 1 1 -14 7  10 o 309.5215 5.064748 975.9317       31.87866  1002.656       
57.63746  964.1537       38.26409  313.0859 9.052946 307.5153 6.118898 
5.570557       10.92688 
1 1 1 -14 7  11 o 243.1939 4.425668 602.2708       21.88684  626.6920       
31.28028  578.8466       30.63513  247.8924 6.205203 238.2279 6.323764 
9.664429       8.859714 
1 1 1 -14 7  12 o 219.7188 4.491605 491.6934       20.06875  488.0980       
28.40821  495.2753       28.35487  218.7243 6.386978 220.3335 6.328427 
-1.609177      8.991244 
1 1 1 -14 7  13 o 288.3281 5.179350 847.3491       30.36782  856.4701       
37.81737  830.7896       50.95596  289.6852 6.419683 284.8388 8.797199 
4.846405       10.89050 
1 1 1 -14 7  14 o 450.0630 5.009480 2064.688       45.84768  2022.820       
63.74760  2109.550       65.98721  444.9331 7.045594 454.3406 7.142115 
-9.407440      10.03246 
1 1 1 -14 7  15 o 189.4116 4.872857 365.7205       18.76902  380.8345       
26.62005  350.7793       26.46741  193.0542 6.780757 185.2460 7.026049 
7.808167       9.764426 
1 1 1 -14 7  16 o 190.2391 4.976351 369.0396       19.25139  407.2519       
27.54015  332.5246       26.92155  199.5991 6.785100 180.2770 7.343587 
19.32208       9.998293 
1 1 1 -14 7  17 o 265.4345 5.526310 719.1306       29.82937  722.2374       
36.47377  712.8556       51.83578  265.7565 6.749093 263.2291 9.683769 
2.527405       11.80363 
1 1 1 -14 7  18 o 122.3246 6.655593 153.5164       16.49357  128.6133       
22.60407  181.8730       24.12057  111.2503 10.10170 132.7111 8.990811 
-21.46082      13.52328 
1 1 1 -14 7  19 o 88.05936 10.27371 81.12450       18.05146  76.44581       
30.89558  83.54954       22.24301  83.03790 18.74126 88.75249 12.68515 
-5.714592      22.63068 
1 1 1 -14 7  20 o 148.4895 6.464152 225.6910       19.51905  223.1675       
27.54741  228.2354       27.66114  146.8616 9.271630 148.5444 9.202499 
-1.682785      13.06327 
1 1 1 -14 7  21 o 56.98406 15.34877 35.51294       18.18420  33.44189       
22.65299  39.26554       30.49275  56.00413 17.73858 61.22443 20.65333 
-5.220299      27.22531 
1 1 1 -14 7  22 o 102.5277 9.048878 109.3832       18.67276  132.1116       
26.50129  86.97453       26.31425  111.9058 11.82472 89.49886 14.98846 
22.40694       19.09130 
1 1 1 -14 7  23 o 34.47021 14.63822 1.879323       17.87196  0.3600595      
23.93651  3.793200       26.86590  38.68315 16.69231 42.08953 17.91232 
-3.406380      24.48438 
1 1 1 -14 7  24 o 39.16182 15.41263 11.13142       18.01321  13.34943       
24.93694  8.711272       26.04843  44.46439 17.92162 43.05794 17.93803 
1.406452       25.35660 
1 1 1 -14 7  25 o 109.0860 9.332475 126.1959       20.50294  182.8948       
31.02220  82.22118       27.32038  129.9041 11.87486 84.17022 16.55149 
45.73386       20.37067 
1 1 1 -14 8  1  o 393.3515 5.263959 1577.631       42.10608  1471.220       
70.61988  1636.326       52.44840  378.7729 9.168464 400.3217 6.442755 
-21.54880      11.20579 
1 1 1 -14 8  2  o 84.63078 7.806770 73.84504       13.28397  62.88519       
23.50374  78.98922       16.10248  76.46281 15.64321 87.32687 9.206355 
-10.86406      18.15122 
1 1 1 -14 8  3  o 175.4091 4.432200 313.3609       15.80967  303.5803       
22.36057  323.1374       22.35594  172.4975 6.374536 177.9857 6.176699 
-5.488144      8.876165 
1 1 1 -14 8  4  o 169.4991 4.526740 292.5851       15.60287  282.0039       
22.62829  302.1759       21.54325  166.2482 6.693346 172.1380 6.154365 
-5.889740      9.092693 
1 1 1 -14 8  5  o 180.2053 4.423558 330.6612       16.21029  287.3442       
22.63905  376.2365       23.22167  167.8366 6.633155 192.1119 5.944122 
-24.27533      8.906814 
1 1 1 -14 8  6  o 398.6673 4.578631 1618.409       37.11913  1577.340       
51.77214  1661.853       53.24770  393.2848 6.473476 403.6809 6.486512 
-10.39612      9.164100 
1 1 1 -14 8  7  o 309.3028 4.294825 973.9768       27.01349  973.5795       
38.20886  974.3738       38.19684  309.0401 6.079920 309.1667 6.075519 
-0.1266174     8.595194 
1 1 1 -14 8  8  o 220.1713 4.299747 493.5238       19.25108  460.6182       
26.79414  528.6352       27.67762  212.5556 6.198915 227.7306 5.976623 
-15.17497      8.610841 
1 1 1 -14 8  9  o 297.5145 4.244507 901.1664       25.67952  918.3829       
36.65139  884.5654       35.99028  300.1470 6.004890 294.5686 6.008242 
5.578369       8.494568 
1 1 1 -14 8  10 o 173.9190 5.354194 308.2198       18.93618  334.6673       
34.84362  297.1344       22.55828  180.5569 9.523504 170.6749 6.499574 
9.881958       11.53003 
1 1 1 -14 8  11 o 180.1763 5.528907 330.8936       20.25762  334.7697       
36.66284  329.1902       24.30465  180.4476 10.03093 179.6128 6.654274 
0.8347931      12.03740 
1 1 1 -14 8  12 o 45.54181 12.36337 22.07040       11.74381  38.12535       
16.57148  5.872149       16.64528  59.56728 13.92936 36.06478 14.60479 
23.50249       20.18234 
1 1 1 -14 8  13 o 224.8008 4.615927 514.8599       21.10125  509.1687       
28.93006  521.3297       30.84528  223.3524 6.369529 225.9562 6.712944 
-2.603821      9.253892 
1 1 1 -14 8  14 o 222.1666 4.609324 502.9482       20.82416  515.7709       
28.95054  489.2012       29.97583  224.7641 6.334003 218.8396 6.735871 
5.924500       9.246164 
1 1 1 -14 8  15 o 57.58339 11.47981 35.37461       12.97092  22.44803       
17.77703  50.09153       18.96817  47.43982 15.76753 68.23840 14.13422 
-20.79857      21.17525 
1 1 1 -14 8  16 o 277.4297 4.580438 784.5329       25.84112  786.0159       
36.23233  782.9976       36.86561  277.3577 6.423988 276.7979 6.549486 
0.5597534      9.174061 
1 1 1 -14 8  17 o 202.2627 5.845271 417.7956       24.04207  410.2119       
28.99699  434.4755       43.00398  200.2057 7.122378 205.0528 10.34654 
-4.847107      12.56102 
1 1 1 -14 8  18 o 264.5164 4.818502 713.7491       25.91887  710.3901       
36.52094  717.1580       36.79019  263.4633 6.816638 264.7108 6.834534 
-1.247498      9.652844 
1 1 1 -14 8  19 o 105.0049 8.947743 114.2746       18.92395  81.22557       
32.16953  131.7628       23.40121  85.52909 18.99086 112.4667 10.34814 
-26.93757      21.62722 
1 1 1 -14 8  20 o 58.91258 15.67117 37.98975       19.10148  46.56831       
33.13182  33.71872       23.37785  65.79166 21.50935 56.40095 18.03675 
9.390705       28.07092 
1 1 1 -14 8  21 o 37.04768 14.59051 8.813428       16.15306  20.92872       
22.46961  -4.144066      23.23748  48.12115 17.60216 36.75295 16.14266 
11.36819       23.88350 
1 1 1 -14 8  22 o 96.34071 9.513987 96.95250       18.39557  94.13880       
26.06013  99.74690       25.97063  93.44977 14.15682 96.43750 13.62218 
-2.987732      19.64636 
1 1 1 -14 8  23 o 83.57225 10.90239 74.20323       18.08691  51.41945       
25.51477  97.21697       25.64321  67.23552 18.21113 94.77724 13.70287 
-27.54173      22.79065 
1 1 1 -14 8  24 o 130.3188 8.031932 176.8757       21.18152  183.9125       
29.59664  169.4874       30.32710  131.4640 11.17695 125.7408 12.00642 
5.723259       16.40361 
1 1 1 -14 8  25 o 59.96072 15.55631 41.78995       19.13068  50.51643       
28.05127  34.20189       26.15762  64.37965 19.63834 54.75676 19.10712 
9.622883       27.39975 
1 1 1 -14 9  1  o 228.1546 4.929347 530.6270       22.87020  514.6179       
40.82276  537.9500       27.60981  224.0287 8.960809 229.5949 5.913571 
-5.566147      10.73622 
1 1 1 -14 9  2  o 123.6926 5.248281 155.9736       13.20117  150.1231       
18.78300  161.6846       18.55758  120.9302 7.677785 125.5739 7.298744 
-4.643639      10.59340 
1 1 1 -14 9  3  o 246.6805 4.156778 619.6527       20.85178  632.6303       
30.12016  607.7088       28.89567  249.0532 5.947217 244.1142 5.820875 
4.938965       8.321777 
1 1 1 -14 9  4  o 88.23634 6.662987 79.89546       11.86735  72.15900       
16.87635  87.46304       16.69112  83.28954 10.17567 92.00820 9.037511 
-8.718666      13.60958 
1 1 1 -14 9  5  o 288.5263 4.142322 847.5505       24.30416  806.4642       
33.88047  891.1071       34.88404  281.2522 5.923824 295.6597 5.802075 
-14.40750      8.291910 
1 1 1 -14 9  6  o 321.8781 4.259631 1054.845       27.88142  1063.409       
39.58558  1046.414       39.27680  322.9646 6.027408 320.3732 6.028767 
2.591431       8.525002 
1 1 1 -14 9  7  o 233.2726 4.203444 553.9994       19.93978  585.5498       
28.64444  524.3375       27.77391  239.6756 5.877128 226.7879 6.022346 
12.88765       8.414825 
1 1 1 -14 9  8  o 73.93640 7.595160 56.39897       11.25721  54.70083       
16.28074  57.95456       15.58240  72.13241 11.48426 74.46564 10.58852 
-2.333237      15.62066 
1 1 1 -14 9  9  o 166.7088 4.542726 283.0189       15.40020  301.3222       
22.02160  265.4999       21.54458  171.8915 6.300037 161.3298 6.567074 
10.56165       9.100381 
1 1 1 -14 9  10 o 274.9268 4.242914 769.6151       23.72099  826.6120       
34.46221  718.2975       32.70018  284.7295 5.951950 265.4066 6.058805 
19.32285       8.493222 
1 1 1 -14 9  11 o 183.8448 5.426562 344.5052       20.28745  340.9134       
35.40165  346.2616       24.75560  182.1610 9.590678 184.2032 6.608834 
-2.042175      11.64722 
1 1 1 -14 9  12 o 85.43633 7.419600 75.13953       12.76264  56.93909       
17.73622  94.68338       18.37914  73.37510 12.32358 95.63888 9.578946 
-22.26378      15.60855 
1 1 1 -14 9  13 o 110.4172 6.199356 124.8159       13.86354  143.6792       
19.30391  104.7238       19.92275  118.2283 8.077553 100.5419 9.871604 
17.68638       12.75521 
1 1 1 -14 9  14 o 147.4519 6.021071 221.9115       18.05409  229.7570       
22.05833  205.9906       31.42308  149.9090 7.235917 141.0151 11.04633 
8.893906       13.20530 
1 1 1 -14 9  15 o 210.9480 4.665514 453.5709       20.01365  441.2567       
27.92475  466.5767       28.69827  207.8070 6.608117 213.6866 6.604303 
-5.879593      9.342592 
1 1 1 -14 9  16 o 112.3488 6.689435 129.4897       15.21384  130.6711       
20.92069  128.1637       22.16439  112.4146 9.233273 111.1833 9.906923 
1.231339       13.54254 
1 1 1 -14 9  17 f 101.6749 8.535931 106.8485       17.48552  119.0171       
20.92698  78.70467       31.82565  107.1021 9.714217 84.44981 18.99277 
22.65234       21.33287 
1 1 1 -14 9  18 o 61.07098 12.09835 40.00897       14.49364  25.25775       
20.08169  56.04720       20.93941  50.04284 16.76128 71.88581 14.81680 
-21.84298      22.37137 
1 1 1 -14 9  19 o 112.2460 8.424254 130.2287       19.08862  100.0452       
30.72714  149.1982       24.35928  96.04419 16.31631 119.7797 10.09478 
-23.73555      19.18662 
1 1 1 -14 9  20 f 111.1203 9.151676 128.1165       20.49586  171.9264       
37.18510  108.9987       24.56409  127.0373 14.66350 101.6395 12.12392 
25.39783       19.02650 
1 1 1 -14 9  21 o 193.6488 5.820786 383.5846       22.92175  412.0550       
32.56145  355.6164       32.27298  200.1744 7.999146 185.8146 8.540982 
14.35986       11.70191 
1 1 1 -14 9  22 f 118.5796 7.817126 145.3654       18.74415  135.7665       
26.57328  154.8709       26.44365  113.4252 11.68827 121.5211 10.81386 
-8.095848      15.92341 
1 1 1 -14 9  23 o 57.84589 14.54273 37.18435       17.08845  58.82317       
24.27621  15.93157       24.05869  72.19169 16.84437 45.63495 17.85692 
26.55674       24.54796 
1 1 1 -14 9  24 f 85.39321 13.80073 80.42727       23.14756  95.31367       
28.39657  50.94617       39.96161  92.11739 15.72343 66.16418 23.56956 
25.95320       28.33285 
1 1 1 -14 9  25 o 66.74800 14.73724 51.22821       19.46869  44.85487       
26.96107  58.17244       28.14270  60.90473 19.35846 68.86343 19.31421 
-7.958698      27.34572 
1 1 1 -14 10 1  o 351.1472 5.070882 1257.239       36.20963  1251.050       
63.91156  1260.165       43.94258  349.2321 8.999406 351.3238 6.150729 
-2.091614      10.90049 
1 1 1 -14 10 2  o 204.8994 4.271908 427.6520       17.79975  433.3511       
25.36030  422.1185       24.98911  206.0722 6.051785 203.3851 6.041993 
2.687073       8.551596 
1 1 1 -14 10 3  o 42.30233 12.04861 18.89437       10.86478  18.50245       
15.40248  19.28251       15.32804  43.59376 14.67882 44.16136 14.63947 
-0.5676003     20.73118 
1 1 1 -14 10 4  o 75.90423 7.368713 59.39798       11.23058  54.51389       
16.32255  63.78866       15.47610  71.94393 11.54748 78.26514 9.948747 
-6.321205      15.24211 
1 1 1 -14 10 5  o 119.8520 5.205442 146.3725       12.68687  172.5030       
18.71462  124.1521       17.25769  129.7954 7.117545 109.9636 7.767570 
19.83183       10.53540 
1 1 1 -14 10 6  o 296.9449 4.170430 897.7612       25.18304  893.8169       
35.94256  901.5646       35.29467  296.0820 5.969605 297.3806 5.836400 
-1.298615      8.348638 
1 1 1 -14 10 7  o 235.2948 4.177119 563.6720       19.98668  513.5870       
27.69964  618.0688       28.86737  224.4317 6.069299 246.2381 5.765016 
-21.80647      8.370890 
1 1 1 -14 10 8  o 100.2390 6.111258 102.8351       12.39765  109.4293       
17.68528  96.46334       17.38444  103.1095 8.510609 96.70010 8.941858 
6.409363       12.34453 
1 1 1 -14 10 9  o 163.7323 4.565299 273.0268       15.20040  283.3524       
21.36895  262.4507       21.62659  166.6754 6.304641 160.3835 6.630969 
6.291901       9.149768 
1 1 1 -14 10 10 o 79.09360 7.309497 64.42496       11.62358  52.67728       
16.31747  76.52695       16.56171  70.66136 11.76987 85.89864 9.648164 
-15.23728      15.21897 
1 1 1 -14 10 11 o 148.7036 5.895729 225.5188       17.82832  261.4011       
33.31682  211.1213       21.10412  159.2707 10.34271 143.5865 7.251192 
15.68414       12.63136 
1 1 1 -14 10 12 o 216.3087 4.471231 476.6308       19.66765  489.1644       
28.10556  464.6036       27.53184  218.9312 6.312963 213.3600 6.345572 
5.571152       8.950965 
1 1 1 -14 10 13 o 296.4253 4.393270 895.1519       26.48223  918.5956       
37.54993  871.9523       37.35391  300.0013 6.155091 292.2618 6.285106 
7.739502       8.797028 
1 1 1 -14 10 14 o 360.7482 5.315908 1327.285       38.99717  1368.192       
48.49939  1252.458       65.59354  365.9831 6.516642 349.3531 9.233048 
16.63007       11.30114 
1 1 1 -14 10 15 o 125.9399 5.856983 161.9144       14.99992  133.0973       
20.33544  196.3051       22.21514  113.5541 8.877032 138.2180 7.937037 
-24.66392      11.90791 
1 1 1 -14 10 16 o 230.7472 4.671078 542.8526       21.91821  544.0566       
30.46185  541.5602       31.56143  230.7095 6.492910 230.1318 6.744169 
0.5776825      9.361714 
1 1 1 -14 10 17 o 100.5377 8.548035 104.5190       17.31039  106.8194       
20.68000  99.13438       31.63956  101.2998 10.17662 95.64575 16.88453 
5.654083       19.71423 
1 1 1 -14 10 18 o 85.25754 8.847747 75.53835       15.11633  80.67483       
21.04670  70.06551       21.72487  87.33582 12.18228 80.86855 13.69983 
6.467270       18.33284 
1 1 1 -14 10 19 o 157.5070 6.724422 254.0697       21.53804  297.5668       
37.00521  231.7861       26.48654  169.1717 10.81336 149.8279 8.731070 
19.34383       13.89822 
1 1 1 -14 10 20 o 97.37126 10.15081 99.08282       19.80391  159.6899       
38.18213  76.77804       23.16315  121.9023 15.77255 84.50671 13.96684 
37.39557       21.06765 
1 1 1 -14 10 21 o 33.39541 13.93540 3.075615       15.75728  4.571440       
22.56783  1.652701       22.01094  39.72867 16.63611 38.03310 16.20028 
1.695568       23.22088 
1 1 1 -14 10 22 o 49.22913 15.45165 25.86138       17.22402  31.73103       
24.14455  19.77902       24.57813  54.89840 18.37882 48.21033 18.25730 
6.688068       25.90579 
1 1 1 -14 10 23 o 63.78950 13.84656 44.96571       17.44612  1.640821       
23.84711  94.85525       25.59009  38.98420 16.74014 93.37518 13.90074 
-54.39099      21.75920 
1 1 1 -14 10 24 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -14 10 25 o 92.63595 10.79187 92.94284       19.94851  79.49782       
28.34693  106.1339       28.07790  81.64412 17.59265 96.67255 14.74983 
-15.02843      22.95776 
1 1 1 -14 11 1  o 310.1090 6.061483 981.8833       38.22475  0.000000       
0.000000  981.8833       38.22475  ?        ?        310.1090 6.061483 
0.000000       6.061483 
1 1 1 -14 11 2  o 75.19690 7.406354 58.37075       11.17845  59.01141       
15.67054  57.70699       15.95061  75.04021 10.56149 74.11819 10.90913 
0.9220200      15.18401 
1 1 1 -14 11 3  o 138.0051 4.865753 194.0860       13.65516  207.2512       
19.80040  182.1457       18.85675  142.4524 6.835227 133.3537 6.977867 
9.098679       9.767854 
1 1 1 -14 11 4  o 292.5015 4.126389 871.2389       24.54424  898.8838       
35.34898  845.5040       34.10598  296.8775 5.855286 287.9322 5.824904 
8.945343       8.259170 
1 1 1 -14 11 5  o 352.6032 6.118544 1268.147       43.87183  0.000000       
0.000000  1268.147       43.87183  ?        ?        352.6032 6.118544 
0.000000       6.118544 
1 1 1 -14 11 6  o 233.6952 4.129714 556.0652       19.62552  596.8260       
28.40209  518.8202       27.14961  241.9483 5.772664 225.5677 5.918822 
16.38063       8.267776 
1 1 1 -14 11 7  o 166.7030 4.534082 283.0264       15.37037  326.7002       
22.26882  243.2891       21.24152  178.9824 6.118365 154.4016 6.765229 
24.58083       9.121552 
1 1 1 -14 11 8  o 152.5697 4.677045 237.0975       14.51080  240.7336       
20.35075  233.3369       20.69636  153.6075 6.515033 151.2118 6.730647 
2.395660       9.367351 
1 1 1 -14 11 9  o 140.7559 4.806113 201.8308       13.75663  193.9418       
19.10916  210.3176       19.81994  137.8441 6.817134 143.5480 6.789751 
-5.703842      9.621540 
1 1 1 -14 11 10 o 93.66244 6.520955 89.95448       12.34271  90.19859       
17.20990  89.69592       17.71136  93.40720 9.178932 93.09068 9.488750 
0.3165207      13.20186 
1 1 1 -14 11 11 o 142.2259 5.048689 206.1530       14.60188  192.0047       
20.09803  221.9704       21.25049  136.9014 7.245070 147.4150 7.088851 
-10.51357      10.13621 
1 1 1 -14 11 12 o 237.4231 5.124128 574.6175       24.73969  664.6396       
45.97139  537.9175       29.35255  254.6942 8.875999 229.5677 6.287580 
25.12642       10.87736 
1 1 1 -14 11 13 o 185.6436 4.672784 351.2156       17.64034  381.0191       
25.07679  322.0203       24.81962  193.1689 6.383859 177.5243 6.875207 
15.64459       9.382010 
1 1 1 -14 11 14 o 144.5087 6.031916 213.1995       17.72559  200.9826       
21.41245  239.8011       31.59653  139.9455 7.552083 152.3397 10.25914 
-12.39421      12.73907 
1 1 1 -14 11 15 o 145.7437 5.413600 216.7364       16.04455  218.2972       
22.31392  215.0656       23.08663  145.8341 7.550155 144.6873 7.876209 
1.146744       10.91052 
1 1 1 -14 11 16 o 75.11619 10.79358 59.36575       16.01370  70.63853       
19.03868  32.10271       29.60796  81.82772 11.78116 57.60957 20.31274 
24.21815       23.48197 
1 1 1 -14 11 17 o 159.3113 5.485701 259.1442       17.77174  285.6219       
25.37622  233.6577       24.89672  166.9521 7.474523 150.6781 8.155684 
16.27409       11.06272 
1 1 1 -14 11 18 o 229.6595 4.953555 538.2871       23.13411  487.7038       
31.85689  594.7244       33.64983  218.1548 7.181038 240.9849 6.866598 
-22.83012      9.935667 
1 1 1 -14 11 19 o 101.7421 8.119083 107.0418       16.65817  104.9565       
23.40421  109.1830       23.71528  99.83514 11.75326 101.8780 11.65695 
-2.042877      16.55366 
1 1 1 -14 11 20 o 99.78275 9.795474 103.8484       19.61991  90.28172       
35.36919  109.8785       23.58052  89.65269 19.91793 102.1784 11.55149 
-12.52567      23.02522 
1 1 1 -14 11 21 o 106.5847 8.130559 117.5961       17.48952  109.0172       
24.78592  126.1033       24.68225  101.4499 12.26330 109.5395 11.23985 
-8.089546      16.63499 
1 1 1 -14 11 22 o 144.9834 10.02908 219.4284       29.38692  219.4284       
29.38692  0.000000       0.000000  144.9834 10.02908 ?        ?        
0.000000       10.02908 
1 1 1 -14 11 23 o 107.5226 8.731098 120.7526       18.92575  120.3500       
27.02627  121.1399       26.51126  105.7603 12.82900 106.2523 12.50953 
-0.4919891     17.91847 
1 1 1 -14 11 24 o 114.2509 9.984851 138.4538       22.96509  139.2043       
28.20685  136.9784       39.55196  113.2951 12.44834 108.4521 18.60385 
4.843025       22.38446 
1 1 1 -14 11 25 o 98.94435 10.31920 105.5532       20.45743  137.7384       
29.63737  76.26267       28.27316  111.1329 13.38343 79.51077 17.91575 
31.62217       22.36270 
1 1 1 -14 12 1  o 154.6657 4.583702 243.8318       14.41657  240.5156       
20.21466  247.2644       20.56610  153.4202 6.479366 155.5551 6.501539 
-2.134933      9.178900 
1 1 1 -14 12 2  o 240.9937 4.100903 591.5978       20.09725  574.7596       
27.92484  609.6903       28.94628  237.3248 5.786238 244.4243 5.823672 
-7.099548      8.209489 
1 1 1 -14 12 3  o 255.9137 4.067441 667.0056       21.16734  628.9445       
29.12454  709.6200       30.81741  248.2968 5.768150 263.7445 5.745943 
-15.44771      8.141708 
1 1 1 -14 12 4  o 122.1444 4.906462 152.0370       12.18690  147.8443       
17.09373  156.3712       17.37958  120.1030 7.029573 123.5404 6.946159 
-3.437363      9.882511 
1 1 1 -14 12 5  o 319.8765 4.206496 1042.009       27.36240  1060.867       
39.00791  1023.742       38.39201  322.5040 5.947934 316.8088 5.959257 
5.695160       8.419659 
1 1 1 -14 12 6  o 164.3526 4.418586 275.1098       14.76765  301.0188       
21.37647  251.4554       20.42521  171.7850 6.119267 156.9834 6.398252 
14.80162       8.853420 
1 1 1 -14 12 7  o 136.5332 4.858798 189.9193       13.49020  191.2362       
18.90800  188.5539       19.25272  136.8748 6.793141 135.7169 6.999840 
1.157928       9.754206 
1 1 1 -14 12 8  o 124.2204 5.131057 157.2474       12.96138  168.2965       
17.90343  145.0782       18.78893  128.2118 6.892129 118.8883 7.815162 
9.323448       10.42009 
1 1 1 -14 12 9  o 106.4934 5.782716 115.9850       12.47599  124.8653       
17.46770  106.7375       17.82515  110.2483 7.842486 101.7585 8.697681 
8.489822       11.71129 
1 1 1 -14 12 10 o 179.2483 4.458698 327.2770       16.25229  330.5034       
23.12860  324.1299       22.84249  179.9660 6.319860 178.2241 6.302685 
1.741959       8.925495 
1 1 1 -14 12 11 o 83.96972 7.160999 72.55950       12.11092  82.23471       
16.98355  62.54934       17.27502  89.05235 9.526222 77.16767 11.34745 
11.88467       14.81599 
1 1 1 -14 12 12 o 171.5480 5.498781 300.1439       19.18242  302.9702       
34.29820  298.8573       23.13989  171.4921 9.876796 171.0581 6.652213 
0.4339905      11.90811 
1 1 1 -14 12 13 o 209.4454 4.521217 447.0239       19.25651  423.4392       
26.51435  473.3502       28.01306  203.6176 6.403453 215.2843 6.398772 
-11.66675      9.052541 
1 1 1 -14 12 14 o 79.66468 9.366785 66.05696       14.88454  70.33861       
18.19350  57.39033       25.88428  81.84552 11.22709 72.42116 17.72074 
9.424362       20.97790 
1 1 1 -14 12 15 o 168.9302 5.067790 291.0874       17.40914  285.9728       
24.33615  296.4480       24.91452  167.1743 7.158645 170.2026 7.198382 
-3.028259      10.15199 
1 1 1 -14 12 16 o 65.66581 12.30844 46.10445       15.83202  49.15276       
19.18597  39.59893       28.02826  67.38028 14.43679 61.29569 19.76495 
6.084591       24.47599 
1 1 1 -14 12 17 f 111.3221 6.881734 127.3424       15.50228  148.5284       
21.48433  104.3308       22.39083  119.8635 8.877329 99.79580 11.22834 
20.06770       14.31372 
1 1 1 -14 12 18 o 181.7720 6.000048 337.8538       22.17855  321.6408       
36.86953  347.0471       27.76340  176.0943 10.34143 183.9541 7.421842 
-7.859756      12.72906 
1 1 1 -14 12 19 o 167.3730 5.773393 286.4342       19.65025  303.3449       
27.88962  269.7638       27.69075  171.8061 7.982750 161.7020 8.450426 
10.10414       11.62471 
1 1 1 -14 12 20 o 168.8075 7.008793 292.2613       24.05949  328.3390       
43.75721  276.6277       28.80446  176.9795 12.23345 163.6314 8.687616 
13.34813       15.00440 
1 1 1 -14 12 21 o 190.9237 5.786721 373.0443       22.46693  410.2945       
32.37189  338.4285       31.20624  199.6496 7.973485 181.1815 8.469857 
18.46809       11.63249 
1 1 1 -14 12 22 o 150.5006 6.723883 232.6961       20.57832  269.7859       
29.60973  198.0448       28.61978  161.1324 9.073424 137.5354 10.30791 
23.59706       13.73245 
1 1 1 -14 12 23 o 44.67353 15.61883 20.06141       17.48256  21.17441       
24.06315  18.81716       25.44262  48.12359 18.10115 47.53033 18.42844 
0.5932655      25.83136 
1 1 1 -14 12 24 o 154.9397 7.934008 250.5634       24.91424  244.8031       
30.21819  262.7906       44.02635  152.1053 9.821982 154.4430 14.17646 
-2.337723      17.24655 
1 1 1 -14 12 25 o 104.4250 10.05599 117.3626       21.09008  154.7560       
30.51344  83.15955       29.18279  118.0221 12.92517 82.97233 17.82715 
35.04978       22.01970 
1 1 1 -14 13 1  o 151.8610 4.538670 235.0836       14.01607  235.6818       
19.67786  234.4677       19.96877  151.8662 6.371847 151.4612 6.483336 
0.4050751      9.090330 
1 1 1 -14 13 2  o 140.6648 4.713721 201.6936       13.48344  183.2661       
18.82458  221.1080       19.32208  133.7096 6.947208 147.1161 6.458656 
-13.40656      9.485670 
1 1 1 -14 13 3  o 85.55163 6.433692 75.16063       11.11088  64.74786       
16.11892  84.58715       15.33657  78.70912 10.31931 90.48697 8.431803 
-11.77785      13.32605 
1 1 1 -14 13 4  o 216.1176 4.092677 475.6884       17.98660  494.1996       
25.95635  458.5884       24.94742  220.0987 5.799291 212.0220 5.786196 
8.076630       8.192182 
1 1 1 -14 13 5  o 232.7889 4.084668 551.8599       19.33617  551.3292       
27.22892  552.3998       27.46354  232.4965 5.759204 232.7166 5.803336 
-0.2200623     8.176010 
1 1 1 -14 13 6  o 157.9403 4.463757 254.0948       14.33656  306.5389       
21.06272  208.8234       19.56944  173.3509 5.974986 143.0158 6.728886 
30.33514       8.998797 
1 1 1 -14 13 7  o 128.1588 4.989383 167.3743       13.00309  167.8806       
18.34410  166.8629       18.43452  128.0154 7.074100 127.6178 7.131987 
0.3976212      10.04530 
1 1 1 -14 13 8  o 321.3769 6.019865 1053.583       39.34167  1053.583       
39.34167  0.000000       0.000000  321.3769 6.019865 ?        ?        
0.000000       6.019865 
1 1 1 -14 13 9  o 273.5504 4.157462 762.0576       23.12688  758.6265       
32.64033  765.5165       32.77277  272.7162 5.885621 273.9522 5.882839 
-1.236023      8.321558 
1 1 1 -14 13 10 o 223.8960 4.272701 510.5905       19.45361  490.5176       
26.88294  532.6572       28.18645  219.2612 6.029253 228.4805 6.066524 
-9.219254      8.553046 
1 1 1 -14 13 11 o 191.9173 4.415099 375.2333       17.23082  378.4673       
23.82427  371.6863       24.95086  192.5730 6.083771 190.7984 6.430714 
1.774536       8.852477 
1 1 1 -14 13 12 o 136.7002 6.170829 190.7751       17.15394  155.0729       
29.45967  209.0900       21.09997  121.9940 12.03181 142.8144 7.289660 
-20.82037      14.06782 
1 1 1 -14 13 13 o 27.51863 11.78918 -0.4153230     11.77790  15.94964       
16.21888  -18.67379      17.13150  42.04070 15.01131 26.22245 12.36339 
15.81825       19.44719 
1 1 1 -14 13 14 o 141.2473 5.367857 203.5623       15.41816  212.9242       
21.87622  194.3220       21.73362  144.0297 7.494995 137.5214 7.803745 
6.508286       10.82005 
1 1 1 -14 13 15 o 115.6688 6.264727 137.1202       14.68074  157.4847       
20.41775  115.3232       21.12364  123.6596 8.165446 105.3714 9.976946 
18.28825       12.89240 
1 1 1 -14 13 16 o 93.57401 8.783900 90.74578       16.51890  89.59665       
19.42792  93.74442       31.38364  92.60021 10.50300 92.79322 17.26712 
-0.1930084     20.21056 
1 1 1 -14 13 17 o 156.1798 5.508139 249.1404       17.49368  246.0986       
24.40623  252.3544       25.08743  154.6843 7.783834 156.6151 7.902691 
-1.930756      11.09237 
1 1 1 -14 13 18 o 277.1891 5.482738 785.0389       30.90474  804.9830       
52.51414  774.4717       38.22503  279.4398 9.241376 274.9465 6.836727 
4.493317       11.49538 
1 1 1 -14 13 19 f 103.1600 7.908838 109.9964       16.46477  90.95476       
22.82592  130.6497       23.77229  92.58877 12.43778 111.8061 10.58160 
-19.21730      16.32999 
1 1 1 -14 13 20 o 51.08183 15.93315 27.77791       18.34640  0.3781497      
32.15808  40.99914       22.33843  44.76532 19.33224 60.97378 17.24504 
-16.20847      25.90612 
1 1 1 -14 13 21 o 89.83773 9.434446 84.39916       16.97821  75.88927       
24.07065  92.82496       23.95142  83.50703 14.71217 93.17033 12.99539 
-9.663300      19.62977 
1 1 1 -14 13 22 f 133.3821 8.292236 184.5567       22.38027  193.3646       
28.07160  169.1925       37.07548  135.8443 10.23713 124.9711 14.88165 
10.87318       18.06273 
1 1 1 -14 13 23 o 120.9591 8.131021 152.3895       19.88403  122.1294       
27.30856  186.5353       29.00895  106.2888 12.89882 132.7035 10.84452 
-26.41470      16.85180 
1 1 1 -14 13 24 o 77.29137 12.23955 65.67002       18.59661  74.45837       
26.47796  57.11457       26.12475  79.97898 16.81376 69.14677 18.29553 
10.83221       24.84812 
1 1 1 -14 13 25 o 72.54893 14.98833 61.37037       21.38079  29.13256       
34.82158  80.87932       27.08835  53.16339 21.26566 82.34525 16.74705 
-29.18185      27.06828 
1 1 1 -14 14 1  o 207.0383 4.112360 436.7942       17.31383  416.9821       
23.77280  459.1738       25.26630  202.0714 5.785276 212.0363 5.859762 
-9.964935      8.234454 
1 1 1 -14 14 2  o 112.7843 5.293447 129.7707       12.14055  126.4083       
17.10610  133.1832       17.23328  110.8559 7.634785 113.8259 7.486960 
-2.970009      10.69320 
1 1 1 -14 14 3  o 221.9779 4.061894 501.9269       18.33537  492.5257       
25.85974  511.4312       26.00111  219.6810 5.788688 223.8686 5.711462 
-4.187561      8.132017 
1 1 1 -14 14 4  o 41.93814 11.36371 18.72449       9.932448  45.19187       
14.29839  -5.957363      13.80767  65.36356 11.15771 27.11753 12.14521 
38.24604       16.49244 
1 1 1 -14 14 5  o 56.08029 9.392262 33.11168       10.33229  48.99507       
14.36717  16.09725       14.86991  68.23396 10.70666 41.45417 14.40955 
26.77978       17.95182 
1 1 1 -14 14 6  o 309.7853 4.162007 977.3959       26.21894  947.6852       
36.52132  1008.994       37.66339  304.7845 5.892535 314.4894 5.889278 
-9.704834      8.331000 
1 1 1 -14 14 7  f 65.97884 8.093062 45.19360       10.63081  31.87099       
14.26299  61.84550       15.94585  54.47681 13.04715 76.90551 10.46821 
-22.42870      16.72757 
1 1 1 -14 14 8  o 191.3224 5.948061 373.4409       23.14156  373.4409       
23.14156  0.000000       0.000000  191.3224 5.948061 ?        ?        
0.000000       5.948061 
1 1 1 -14 14 9  o 53.76581 10.34758 30.67764       10.90285  12.36228       
14.43751  54.98482       16.63228  38.42899 14.10158 72.16373 11.73734 
-33.73474      18.34720 
1 1 1 -14 14 10 o 259.5401 4.209120 686.1328       22.21505  665.4678       
30.78983  708.5710       32.08375  255.3770 5.928898 263.5086 5.987408 
-8.131561      8.426202 
1 1 1 -14 14 11 o 68.06126 8.446404 48.16688       11.43896  45.53387       
15.38816  51.41882       17.10142  65.43516 12.00690 69.51545 12.55985 
-4.080292      17.37572 
1 1 1 -14 14 12 o 105.8185 6.178988 114.7256       13.23849  96.92155       
18.43466  133.6849       19.02333  96.69501 9.497751 113.9363 8.266842 
-17.24125      12.59158 
1 1 1 -14 14 13 o 74.26897 9.978212 57.72596       14.68871  69.05170       
26.24944  52.56274       17.72340  79.70167 16.72886 70.16135 12.89745 
9.540321       21.12342 
1 1 1 -14 14 14 o 103.2979 6.647647 109.5426       13.88987  87.08475       
19.08831  134.8162       20.24959  91.34621 10.46482 114.2669 8.781737 
-22.92069      13.66131 
1 1 1 -14 14 15 o 159.2088 5.955189 258.9519       19.28031  264.6093       
23.47677  247.2313       33.79143  160.7655 7.181149 154.3605 10.83375 
6.405029       12.99765 
1 1 1 -14 14 16 o 199.7929 4.965513 407.3077       20.17417  411.9789       
27.69839  402.0296       29.44259  200.6266 6.789136 198.0853 7.309242 
2.541336       9.975841 
1 1 1 -14 14 17 o 181.2349 5.114557 335.3311       18.84956  302.6277       
25.83714  372.5437       27.56088  171.7902 7.395962 190.6658 7.108352 
-18.87561      10.25811 
1 1 1 -14 14 18 o 50.16121 15.44489 26.74117       17.30240  29.56210       
28.33812  25.06448       21.84751  55.38731 19.83543 50.39567 17.46907 
4.991646       26.43128 
1 1 1 -14 14 19 o 96.79773 8.167661 97.06192       15.92718  117.4844       
22.57145  76.80871       22.47771  105.9341 10.62089 84.59729 13.52138 
21.33685       17.19393 
1 1 1 -14 14 20 o 44.19317 14.70667 19.81805       15.46363  20.59008       
21.98127  19.06161       21.75818  47.59049 17.40956 46.58813 17.27322 
1.002354       24.52461 
1 1 1 -14 14 21 o 92.29144 9.369174 89.05821       17.34009  99.28500       
24.95682  79.51345       24.11026  96.31404 13.08073 85.57722 14.36346 
10.73682       19.42715 
1 1 1 -14 14 22 o 92.93311 10.55481 91.33999       19.59295  87.93731       
24.65005  97.17814       32.28826  89.91696 13.93174 92.89035 17.74015 
-2.973389      22.55673 
1 1 1 -14 14 23 o 69.83751 13.23069 53.82703       18.10197  62.60380       
25.23774  44.52753       25.97843  73.77589 17.14807 62.03292 18.89358 
11.74297       25.51516 
1 1 1 -14 14 24 o 97.53757 9.894967 101.6540       19.35458  96.37512       
26.95523  107.2721       27.80770  92.26701 14.87186 97.70695 14.42970 
-5.439941      20.72169 
1 1 1 -14 14 25 o 52.36290 17.05543 32.63414       20.83850  37.76878       
35.96943  30.04015       25.56599  56.62724 21.92387 51.27536 18.77282 
5.351871       28.86303 
1 1 1 -14 15 1  o 48.45228 10.25401 25.10268       9.788139  21.71753       
13.36496  29.01895       14.37522  45.32623 13.49523 51.83022 13.50345 
-6.503986      19.09095 
1 1 1 -14 15 2  o 114.9737 5.184172 134.8630       12.12075  129.7973       
16.68882  140.5180       17.63275  112.3674 7.343944 116.9159 7.455296 
-4.548508      10.46494 
1 1 1 -14 15 3  o 88.90707 6.050176 81.08624       10.87339  78.40948       
15.52892  83.66095       15.23003  86.96793 8.906370 89.94865 8.424482 
-2.980713      12.25950 
1 1 1 -14 15 4  o 237.1951 4.036015 573.0852       19.46749  579.9171       
27.42421  566.1457       27.63941  238.3968 5.656950 235.5322 5.770681 
2.864594       8.080956 
1 1 1 -14 15 5  o 153.8368 4.403804 241.1212       13.77653  242.7220       
19.36619  239.4812       19.60185  154.1935 6.176275 153.1487 6.294079 
1.044769       8.818265 
1 1 1 -14 15 6  o 132.7720 4.772229 179.6600       12.88485  179.7459       
17.91637  179.5681       18.54368  132.4906 6.671254 132.3904 6.911895 
0.1002045      9.606244 
1 1 1 -14 15 7  o 113.2122 5.211770 130.6782       11.99858  126.4722       
16.67167  135.1976       17.28188  110.9734 7.430616 114.7520 7.446157 
-3.778526      10.51947 
1 1 1 -14 15 8  o 235.2057 4.160830 563.4844       19.90120  601.6407       
28.42078  526.7762       27.87622  242.8439 5.755161 227.1953 6.033692 
15.64861       8.338305 
1 1 1 -14 15 9  o 153.0158 4.621420 238.5912       14.38014  260.8145       
20.29714  216.1942       20.37627  159.8378 6.244593 145.4608 6.888542 
14.37692       9.297685 
1 1 1 -14 15 10 o 169.2726 4.529717 291.9767       15.59227  293.3419       
21.31837  290.4064       22.86429  169.5073 6.184637 168.6011 6.668773 
0.9062195      9.095178 
1 1 1 -14 15 11 o 154.1414 4.759921 242.1920       14.92006  259.2352       
20.84813  224.2990       21.36154  159.3060 6.435517 148.1099 7.092460 
11.19611       9.576997 
1 1 1 -14 15 12 o 323.0772 4.389004 1063.701       28.83525  1062.498       
40.60295  1064.925       40.95776  322.5330 6.190590 322.8900 6.237781 
-0.3570557     8.788249 
1 1 1 -14 15 13 o 103.6805 7.489037 110.6228       15.68349  159.7857       
29.03765  90.37431       18.63543  123.7920 11.67281 93.18720 9.989794 
30.60484       15.36393 
1 1 1 -14 15 14 o 94.07445 6.956588 91.04270       13.21383  90.61346       
18.44283  91.49546       18.94149  93.30567 9.869872 93.71341 10.09895 
-0.4077377     14.12102 
1 1 1 -14 15 15 o 158.2415 7.172368 256.4372       23.07993  256.4372       
23.07993  0.000000       0.000000  158.2415 7.172368 ?        ?        
0.000000       7.172368 
1 1 1 -14 15 16 o 119.0140 6.295534 145.2738       15.18220  141.4410       
21.03045  149.4454       21.94019  116.9207 8.912287 120.1714 9.044489 
-3.250725      12.69770 
1 1 1 -14 15 17 o 75.29354 9.457709 59.35323       14.16136  65.58469       
19.49341  52.38922       20.60735  78.38348 12.66115 69.26824 15.05922 
9.115242       19.67448 
1 1 1 -14 15 18 o 219.6902 5.706508 493.5165       25.49368  552.2555       
44.33068  464.4915       31.16216  231.2709 9.426097 212.7762 7.201999 
18.49469       11.86255 
1 1 1 -14 15 19 o 84.39172 9.335307 74.42574       15.75234  42.38839       
21.61231  110.7327       23.00742  61.92198 16.75597 102.6118 11.20832 
-40.68980      20.15909 
1 1 1 -14 15 20 o 182.3969 5.736896 340.4398       21.27873  323.0052       
29.75804  358.6812       30.43886  177.0576 8.264913 186.6516 8.019461 
-9.593964      11.51610 
1 1 1 -14 15 21 o 125.5690 7.558603 162.9069       19.21087  184.5057       
27.35351  141.8833       26.98676  132.8240 10.20513 115.8894 11.60738 
16.93467       15.45562 
1 1 1 -14 15 22 o 34.39305 14.86106 -0.2226930     19.02415  12.91848       
24.26732  -21.17580      30.64284  44.18150 17.72444 36.83601 17.09299 
7.345490       24.62369 
1 1 1 -14 15 23 o 34.03650 14.45704 2.523921       17.43892  10.02683       
24.40927  -5.298435      24.92348  42.43414 17.49384 36.81033 16.41382 
5.623806       23.98849 
1 1 1 -14 15 24 o 39.19159 15.46431 12.14371       18.17806  28.15661       
25.77465  -3.703790      25.64119  51.12366 18.82926 37.27009 16.63148 
13.85357       25.12264 
1 1 1 -14 15 25 o 37.59591 15.71628 7.955709       20.09291  -7.446963      
34.41036  15.92452       24.75072  40.63919 18.58578 43.71469 17.77090 
-3.075500      25.71451 
1 1 1 -14 16 1  o 278.6620 4.863405 792.2259       27.55939  813.7948       
49.60440  782.5955       33.14574  281.3952 8.668665 276.7446 5.889754 
4.650543       10.48022 
1 1 1 -14 16 2  o 158.4967 4.428411 256.0934       14.27314  271.7227       
20.16185  240.3913       20.20876  163.0731 6.079904 153.3321 6.481195 
9.740952       8.886570 
1 1 1 -14 16 3  o 170.8777 4.247254 297.5571       14.75859  323.5920       
20.95707  271.9417       20.78757  178.0247 5.788937 163.1413 6.265971 
14.88344       8.530779 
1 1 1 -14 16 4  o 135.1629 4.616932 186.2212       12.69003  183.1048       
17.51886  189.6616       18.40687  133.8687 6.435395 136.2225 6.644764 
-2.353806      9.250254 
1 1 1 -14 16 5  o 165.1916 4.333716 278.0472       14.55794  263.5525       
19.85051  294.9156       21.41438  160.6640 6.075776 169.9408 6.196642 
-9.276794      8.678331 
1 1 1 -14 16 6  o 266.6255 4.083038 724.1333       22.13791  717.0299       
30.68552  731.8436       31.96939  265.0863 5.692392 267.7804 5.870892 
-2.694092      8.177450 
1 1 1 -14 16 7  o 37.35664 11.62020 14.32317       9.765845  8.088133       
13.02761  22.32144       14.75513  34.25684 13.21342 46.31778 14.26295 
-12.06094      19.44290 
1 1 1 -14 16 8  o 197.4512 4.186558 397.1600       16.81003  417.1353       
23.83089  377.3777       23.71547  202.1801 5.796294 192.2707 6.065508 
9.909378       8.389721 
1 1 1 -14 16 9  o 112.4323 5.328498 128.9320       12.18280  113.5875       
16.37065  147.9776       18.23846  105.0732 7.715607 120.0356 7.509589 
-14.96239      10.76682 
1 1 1 -14 16 10 o 294.9603 4.199241 886.3750       25.18754  880.8492       
34.97991  892.3250       36.29775  293.7623 5.855597 295.6335 6.037744 
-1.871155      8.410849 
1 1 1 -14 16 11 o 163.3596 4.634602 272.0277       15.39602  282.5586       
21.29102  260.4857       22.28982  166.3135 6.295316 159.6146 6.867245 
6.698868       9.316118 
1 1 1 -14 16 12 o 86.07892 6.939005 76.27112       12.04317  76.61471       
16.62378  75.89162       17.47101  85.77768 9.700738 85.24377 10.28660 
0.5339127      14.13925 
1 1 1 -14 16 13 o 102.6292 7.583806 108.4732       15.71530  95.23461       
27.07339  115.2007       19.29959  94.47466 14.55984 105.4980 9.084661 
-11.02334      17.16159 
1 1 1 -14 16 14 o 117.0095 6.087387 140.2914       14.43449  143.9518       
20.08184  136.3787       20.76206  118.1215 8.415345 114.8437 8.961132 
3.277725       12.29308 
1 1 1 -14 16 15 o 80.75443 11.76854 68.97194       18.75784  68.97194       
18.75784  0.000000       0.000000  80.75443 11.76854 ?        ?        
0.000000       11.76854 
1 1 1 -14 16 16 o 105.9672 6.774243 115.4546       14.52131  104.8644       
20.03390  127.1779       21.07837  100.3079 9.952925 110.6775 9.456155 
-10.36965      13.72879 
1 1 1 -14 16 17 o 76.10217 10.38953 61.00447       15.65838  51.75976       
24.83344  67.10560       20.17415  68.29175 17.72694 79.17239 12.98053 
-10.88064      21.97131 
1 1 1 -14 16 18 o 165.8637 5.686826 281.3576       19.18106  301.3309       
27.33760  261.9906       26.91947  171.1990 7.852498 159.3118 8.338342 
11.88719       11.45380 
1 1 1 -14 16 19 o 102.1911 7.820653 108.0199       16.12865  120.3940       
22.96321  95.97205       22.65855  107.1646 10.67957 95.18195 11.97131 
11.98260       16.04261 
1 1 1 -14 16 20 o 86.63084 9.577909 78.62054       16.59084  90.99784       
23.46638  66.25037       23.45961  92.26965 12.85575 77.66120 15.39872 
14.60844       20.05968 
1 1 1 -14 16 21 o 170.5922 6.211780 298.5556       21.54897  277.8960       
30.37844  319.4796       30.57219  163.4844 9.174796 175.7689 8.553288 
-12.28448      12.54335 
1 1 1 -14 16 22 o 145.9478 7.867571 220.9956       23.26390  226.9261       
28.71726  209.6731       39.67987  147.1665 9.649249 139.0528 14.23323 
8.113708       17.19572 
1 1 1 -14 16 23 o 40.36582 16.07957 11.72069       19.82672  8.145760       
24.19512  19.02838       34.59262  41.33341 17.25963 50.96626 20.89661 
-9.632847      27.10282 
1 1 1 -14 16 24 o 163.2606 6.793714 277.0298       22.55485  288.4211       
31.39548  264.8798       32.42414  164.7134 9.412232 157.2370 10.19554 
7.476410       13.87585 
1 1 1 -14 16 25 o 26.91556 12.69793 -15.93867      18.12143  28.87170       
26.63717  -54.54556      24.72471  50.35447 19.02169 24.83065 12.36297 
25.52382       22.68629 
1 1 1 -14 17 1  o 148.8822 4.931922 226.2036       14.93174  211.4392       
29.71844  231.1895       17.26987  142.7110 10.30979 150.4287 5.645562 
-7.717682      11.75432 
1 1 1 -14 17 2  o 28.65802 11.19934 5.209756       9.453942  3.810830       
13.35924  6.613153       13.38057  31.66242 12.98440 33.46420 13.24754 
-1.801785      18.54972 
1 1 1 -14 17 3  o 142.5945 4.477568 207.2912       12.98364  219.3833       
18.35343  195.1775       18.36987  146.5213 6.159779 138.1580 6.538509 
8.363312       8.983038 
1 1 1 -14 17 4  o 67.88010 7.338016 47.70548       9.967955  62.85143       
14.09912  32.56944       14.09451  77.70672 9.094428 54.96048 12.84225 
22.74624       15.73633 
1 1 1 -14 17 5  o 147.7823 4.405359 222.5773       13.23900  214.4628       
17.99085  232.1611       19.55197  144.9079 6.105317 150.7378 6.378477 
-5.829834      8.829489 
1 1 1 -14 17 6  o 48.06290 10.04745 24.63332       9.504024  30.74965       
13.24269  18.13695       13.64791  53.47038 12.41701 42.41753 13.80200 
11.05285       18.56549 
1 1 1 -14 17 7  o 189.4277 4.127069 365.5626       15.89779  391.8299       
22.20396  337.9328       22.77255  195.9571 5.572089 181.9099 6.156076 
14.04720       8.303340 
1 1 1 -14 17 8  o 150.8221 4.618910 231.8573       14.16628  223.7849       
19.25081  241.3917       20.92161  148.0063 6.396130 153.6840 6.694451 
-5.677658      9.258842 
1 1 1 -14 17 9  o 103.9161 5.612042 110.5198       11.81523  101.4407       
15.79402  122.0575       17.80458  99.21481 7.893528 108.8526 8.101450 
-9.637741      11.31111 
1 1 1 -14 17 10 o 72.22730 7.626550 53.99630       11.03223  56.32130       
14.64847  50.94920       16.76964  73.31584 10.09278 69.15999 12.37838 
4.155853       15.97149 
1 1 1 -14 17 11 o 40.25400 12.14004 16.93149       10.76439  12.20926       
14.25313  23.20071       16.42264  38.08966 14.00608 47.44312 15.11165 
-9.353462      20.60418 
1 1 1 -14 17 12 o 163.7603 4.723161 273.4671       15.72870  259.7130       
21.44453  289.4814       23.13951  159.3657 6.617139 168.2298 6.763943 
-8.864044      9.462423 
1 1 1 -14 17 13 o 50.70468 13.47773 27.73304       14.13536  74.25154       
26.15890  8.547950       16.79920  82.69554 16.13487 37.54034 14.84924 
45.15520       21.92793 
1 1 1 -14 17 14 o 71.17670 9.119124 52.94751       12.89553  47.21909       
17.35318  60.01232       19.27135  66.18260 13.35439 74.87975 13.13499 
-8.697151      18.73146 
1 1 1 -14 17 15 o 49.44282 15.60225 25.60903       17.53775  25.60903       
17.53775  0.000000       0.000000  49.44282 15.60225 ?        ?        
0.000000       15.60225 
1 1 1 -14 17 16 f 125.4371 6.057812 160.9504       15.45231  160.2052       
21.70885  161.7157       21.99978  124.4751 8.629635 125.0443 8.706036 
-0.5692215     12.25829 
1 1 1 -14 17 17 o 40.83019 14.41156 15.66220       14.90745  8.927754       
24.27474  19.73981       18.88890  42.93695 17.54321 45.67662 16.21154 
-2.739674      23.88678 
1 1 1 -14 17 18 o 200.6623 5.171172 411.4629       21.10116  421.3776       
29.88255  401.6024       29.80070  202.5759 7.254016 197.7228 7.411708 
4.853073       10.37083 
1 1 1 -14 17 19 o 186.2190 5.438760 354.6425       20.59565  368.5676       
29.41240  341.2457       28.84905  189.3072 7.640326 182.1145 7.789965 
7.192657       10.91138 
1 1 1 -14 17 20 o 44.81926 14.88776 20.59640       15.84944  34.95564       
22.14197  5.507826       22.69733  56.57638 17.48046 40.07264 16.72363 
16.50374       24.19187 
1 1 1 -14 17 21 o 95.45550 9.395576 95.50998       18.00158  79.06600       
25.55632  111.7035       25.36097  84.62600 15.41865 102.2093 12.45967 
-17.58328      19.82368 
1 1 1 -14 17 22 o 50.64989 16.47281 27.92510       19.44183  35.68126       
24.90734  15.83016       31.10328  56.64900 18.65583 48.78866 19.88733 
7.860340       27.26803 
1 1 1 -14 17 23 o 46.03487 16.68403 21.51042       20.11968  22.10074       
24.63673  20.32843       34.86172  48.05468 18.25969 51.26406 20.99347 
-3.209381      27.82341 
1 1 1 -14 17 24 o 104.2281 9.553599 116.4460       20.02366  117.8485       
27.62037  114.8924       29.07075  102.2664 13.62010 100.1808 14.70779 
2.085609       20.04560 
1 1 1 -14 18 1  o 65.69857 9.178870 45.29753       11.92810  65.64415       
23.91261  38.55786       13.76258  77.57255 15.69778 59.95390 11.70840 
17.61865       19.58333 
1 1 1 -14 18 2  o 209.1646 4.002075 445.8983       17.02256  458.9903       
23.80908  432.2080       24.34700  211.9843 5.523159 205.6548 5.821771 
6.329437       8.024856 
1 1 1 -14 18 3  o 53.54615 9.340683 30.33810       9.800972  34.92188       
13.62566  25.42385       14.10827  56.98041 12.13132 48.67673 13.68311 
8.303677       18.28651 
1 1 1 -14 18 4  o 156.6189 4.310983 250.0280       13.73004  244.6532       
19.35019  255.4779       19.48493  154.7277 6.149868 158.1252 6.059631 
-3.397537      8.633656 
1 1 1 -14 18 5  o 69.51112 7.170525 49.96756       9.990203  52.35522       
13.85304  47.38025       14.42061  70.65057 9.915241 66.91366 10.97871 
3.736916       14.79338 
1 1 1 -14 18 6  o 189.2686 4.139943 365.0127       15.93398  359.2650       
21.97181  371.3888       23.14178  187.5849 5.759922 190.6949 5.967692 
-3.109955      8.293977 
1 1 1 -14 18 7  o 109.3117 5.209850 121.9007       11.58093  124.5250       
15.63752  118.7130       17.23450  110.1131 7.020150 107.3478 7.951586 
2.765312       10.60708 
1 1 1 -14 18 8  o 199.3855 4.175292 405.0805       16.92902  418.7237       
23.47287  390.2914       24.43883  202.5278 5.699411 195.4670 6.148306 
7.060776       8.383612 
1 1 1 -14 18 9  o 131.8715 4.805541 177.3275       12.88679  170.2842       
17.14319  186.4783       19.54057  128.9014 6.561765 134.8094 7.153568 
-5.907974      9.707230 
1 1 1 -14 18 10 o 240.3555 4.178057 588.7094       20.42113  578.8951       
28.05098  599.7759       29.78680  238.0983 5.793493 242.3082 6.045112 
-4.209976      8.373048 
1 1 1 -14 18 11 o 269.5777 4.280034 740.7036       23.46295  747.6232       
32.86391  733.5096       33.50874  270.5230 5.973977 267.9196 6.150384 
2.603485       8.574125 
1 1 1 -14 18 12 o 155.8805 4.786070 247.8427       15.17128  257.1671       
20.93923  237.5387       22.01180  158.5757 6.493407 152.3167 7.106510 
6.258926       9.626361 
1 1 1 -14 18 13 o 188.4055 4.627096 362.0329       17.72775  361.9848       
24.66480  362.0844       25.49758  188.1205 6.447480 188.1078 6.665623 
0.1269531E-01  9.273647 
1 1 1 -14 18 14 o 123.2490 6.710712 155.9584       16.75576  155.2461       
20.24479  157.5075       29.85525  122.6837 8.161313 122.5385 12.14088 
0.1452560      14.62901 
1 1 1 -14 18 15 o 125.6891 5.978050 161.5539       15.27948  176.2647       
21.14486  145.4784       22.10393  130.7557 7.990650 118.4543 9.249647 
12.30136       12.22319 
1 1 1 -14 18 16 o 167.4177 5.211462 286.3274       17.74240  288.0393       
25.03218  284.5991       25.15133  167.5303 7.347738 166.5099 7.427957 
1.020386       10.44815 
1 1 1 -14 18 17 o 97.88941 8.452164 99.42180       16.65999  104.4176       
26.21681  96.03790       21.57680  98.90795 13.37786 95.43571 11.33989 
3.472237       17.53739 
1 1 1 -14 18 18 o 93.66571 8.257257 91.06215       15.56688  105.4875       
21.69404  75.75063       22.35042  100.1752 10.82141 83.86794 13.56843 
16.30727       17.35526 
1 1 1 -14 18 19 o 52.75072 13.85607 30.46095       15.05538  18.85450       
21.08170  42.54124       21.50773  46.01783 17.01431 61.86724 16.70459 
-15.84941      23.84387 
1 1 1 -14 18 20 o 229.3723 5.258883 538.2608       24.52934  578.1135       
35.18869  500.5911       34.21140  237.0346 7.300286 220.4492 7.631516 
16.58543       10.56098 
1 1 1 -14 18 21 o 128.0521 7.799048 169.9866       20.21180  174.7852       
29.18587  165.5645       28.01752  128.5332 11.28027 125.1385 11.12606 
3.394676       15.84404 
1 1 1 -14 18 22 o 53.18893 16.32710 31.71293       19.35235  15.89822       
24.07275  60.60704       32.53865  45.12411 17.79884 71.13099 21.02871 
-26.00687      27.55005 
1 1 1 -14 18 23 o 30.46428 13.99849 -11.03260      19.84014  -2.845722      
24.56435  -26.39473      33.64899  36.97228 16.40148 36.77715 17.33589 
0.1951332      23.86507 
1 1 1 -14 18 24 o 41.01882 15.55463 16.25923       17.85506  49.30871       
26.42070  -11.52260      24.22381  62.57684 19.05250 33.37584 15.38480 
29.20100       24.48857 
1 1 1 -14 19 1  o 195.8851 4.382733 391.4011       17.45814  377.8644       
34.42885  396.0865       20.25541  191.5261 8.839814 196.9492 5.057496 
-5.423096      10.18433 
1 1 1 -14 19 2  o 97.80307 5.449472 98.01400       10.79517  103.2277       
14.97229  92.36907       15.57915  100.0591 7.411046 94.47004 8.190635 
5.589027       11.04582 
1 1 1 -14 19 3  o 41.81741 10.95819 18.75681       9.431029  14.01403       
13.28995  23.56807       13.38555  38.75925 13.61406 46.91595 13.37723 
-8.156700      19.08646 
1 1 1 -14 19 4  o 119.5794 4.885591 145.8851       11.88023  168.2780       
16.98790  124.4503       16.62050  128.0928 6.543573 109.9474 7.478186 
18.14545       9.936882 
1 1 1 -14 19 5  o 27.97725 10.82437 5.255756       8.763471  5.130445       
12.12154  5.392976       12.68445  31.30514 12.53811 32.02388 12.82594 
-0.7187328     17.93625 
1 1 1 -14 19 6  o 57.14042 8.357166 34.19431       9.423712  35.82482       
12.95852  32.36412       13.72912  57.88991 11.41349 54.78280 12.58815 
3.107105       16.99204 
1 1 1 -14 19 7  o 39.05033 11.30347 16.10334       9.490154  13.54733       
12.83930  19.18155       14.08992  38.17953 13.38289 43.40125 14.01564 
-5.221718      19.37885 
1 1 1 -14 19 8  o 45.34222 10.69866 22.05574       9.705447  16.19269       
12.63392  30.49771       15.15995  40.27967 13.28783 53.12613 13.87976 
-12.84646      19.21495 
1 1 1 -14 19 9  o 25.78662 10.88738 0.7201044      9.795321  14.69640       
13.05242  -17.29990      14.82083  39.23073 13.50797 24.02459 11.37904 
15.20614       17.66204 
1 1 1 -14 19 10 o 60.16331 8.942158 37.98780       10.60746  52.12918       
14.21852  20.23883       15.92925  70.40012 10.23133 44.94027 14.92506 
25.45985       18.09524 
1 1 1 -14 19 11 o 169.5063 4.527268 292.9838       15.60535  304.2069       
21.56070  280.6355       22.61568  172.5135 6.145940 165.6103 6.715382 
6.903152       9.103238 
1 1 1 -14 19 12 o 99.81423 6.233770 102.2628       12.58971  98.35847       
17.29271  106.6662       18.36467  97.41788 8.824970 101.4433 8.995743 
-4.025452      12.60173 
1 1 1 -14 19 13 o 45.26251 12.42396 21.99484       11.78264  40.74529       
16.10161  0.3797359      17.28790  61.36160 13.28861 33.55026 14.32568 
27.81134       19.54002 
1 1 1 -14 19 14 o 27.77476 12.86106 -13.71011      17.21400  -5.581731      
25.50018  -20.51532      23.33253  38.12564 16.82179 31.63405 14.75798 
6.491587       22.37790 
1 1 1 -14 19 15 o 202.1783 4.759906 417.2193       19.56971  396.9862       
27.01935  439.5453       28.38242  196.8326 6.750353 207.1175 6.738779 
-10.28491      9.538260 
1 1 1 -14 19 16 o 226.2234 4.803632 522.5410       22.09829  496.5580       
30.61065  550.8204       31.93479  220.0538 6.840569 231.7842 6.775303 
-11.73039      9.627986 
1 1 1 -14 19 17 o 89.97805 7.984688 83.96362       14.45807  56.25861       
19.78713  115.6978       21.17716  71.90335 14.03636 105.2056 10.01974 
-33.30226      17.24571 
1 1 1 -14 19 18 o 88.95544 8.677919 82.42667       15.49791  96.60065       
22.74341  70.13993       21.17522  95.40671 11.98728 80.64369 13.38146 
14.76302       17.96548 
1 1 1 -14 19 19 o 181.2684 5.594736 336.3299       20.62307  321.9920       
29.18308  350.6332       29.14779  176.7129 8.121037 184.5140 7.768282 
-7.801086      11.23821 
1 1 1 -14 19 20 o 128.7264 7.170220 171.0528       18.69495  184.7250       
26.24955  156.9795       26.63188  132.9494 9.777824 122.1196 10.83680 
10.82990       14.59596 
1 1 1 -14 19 21 o 75.73463 14.22445 63.32402       21.10249  86.47839       
39.14579  53.83898       25.05465  84.85993 22.36804 68.50384 17.81727 
16.35609       28.59693 
1 1 1 -14 19 22 o 73.50423 13.90713 60.21958       20.02607  50.93887       
25.17080  76.22631       33.05655  65.89225 18.18863 79.54626 20.35227 
-13.65401      27.29544 
1 1 1 -14 19 23 o 28.74241 13.16422 -9.114902      17.35048  -20.73633      
24.72606  2.158250       24.35275  31.63118 14.89509 38.45763 16.71537 
-6.826452      22.38900 
1 1 1 -14 19 24 o 51.87281 16.55428 32.30368       19.70066  57.90251       
34.33414  19.73874       24.05449  65.51956 21.91659 45.17629 17.80078 
20.34327       28.23481 
1 1 1 -14 20 1  o 114.8663 5.688340 134.9257       13.28708  160.6121       
27.54556  127.1367       15.16844  123.8884 11.04974 111.1743 6.741271 
12.71413       12.94378 
1 1 1 -14 20 2  o 168.6098 4.208834 289.9161       14.43099  308.5102       
20.52824  271.7495       20.29083  173.7003 5.811654 162.9732 6.122548 
10.72710       8.441618 
1 1 1 -14 20 3  o 121.0040 4.792473 149.4182       11.79263  155.1870       
16.41058  143.2585       16.95746  122.9465 6.587770 118.0195 7.098730 
4.927071       9.684559 
1 1 1 -14 20 4  o 99.64789 5.353516 101.6908       10.80848  117.7804       
14.96040  84.12244       15.63275  107.0219 6.911074 90.04901 8.643181 
16.97292       11.06650 
1 1 1 -14 20 5  o 149.7150 4.350957 228.5370       13.24651  225.6492       
18.42687  231.6254       19.05575  148.5676 6.099243 150.5050 6.226211 
-1.937347      8.715874 
1 1 1 -14 20 6  o 98.66789 5.275212 99.66022       10.54608  97.50186       
14.30115  102.2331       15.61399  97.29088 7.281286 99.54848 7.774771 
-2.257599      10.65196 
1 1 1 -14 20 7  o 32.83618 11.30277 10.19861       9.138277  6.993438       
12.27187  14.18810       13.69128  32.73045 12.76834 39.16144 13.81242 
-6.430988      18.80993 
1 1 1 -14 20 8  o 38.65032 11.37388 15.73090       9.538372  20.02072       
12.72751  10.23454       14.40658  43.64695 13.20911 36.75199 13.96355 
6.894955       19.22138 
1 1 1 -14 20 9  o 207.9554 4.181672 440.8002       17.68364  435.1281       
24.26967  447.2197       25.81907  206.3794 5.782906 209.1768 6.069816 
-2.797440      8.383595 
1 1 1 -14 20 10 o 119.8439 5.203743 146.6078       12.68187  145.9214       
17.21090  147.4232       18.75862  119.1491 7.136169 119.6477 7.751525 
-0.4985428     10.53618 
1 1 1 -14 20 11 o 125.0860 5.224799 159.7359       13.29015  160.8281       
18.33318  158.5263       19.29382  125.0760 7.238911 124.0881 7.683843 
0.9878693      10.55667 
1 1 1 -14 20 12 o 224.1650 4.311388 512.3900       19.65334  493.0135       
27.00114  534.2221       28.66111  219.5823 6.046908 228.5494 6.166824 
-8.967072      8.636828 
1 1 1 -14 20 13 o 65.16088 10.46978 44.97441       13.40339  46.76379       
15.96063  40.69342       24.68719  66.01324 12.34341 61.13377 18.37318 
4.879471       22.13444 
1 1 1 -14 20 14 o 69.86639 11.26361 51.89172       15.45871  54.66156       
27.46517  50.60735       18.70246  70.01450 18.86530 68.28285 13.94061 
1.731651       23.45719 
1 1 1 -14 20 15 f 57.47136 11.25607 35.46780       12.68430  48.14536       
18.00073  22.96458       17.87653  66.55179 13.75550 47.45682 15.81343 
19.09497       20.95897 
1 1 1 -14 20 16 o 54.67891 15.03052 32.73584       17.23062  32.77291       
23.13197  32.68963       25.82547  55.48810 17.96241 56.10081 19.00670 
-0.6127129     26.15154 
1 1 1 -14 20 17 o 111.9617 6.876144 129.1489       15.57971  119.4479       
21.20356  140.5318       22.96815  106.9097 9.864294 116.0426 9.825509 
-9.132965      13.92282 
1 1 1 -14 20 18 o 44.81285 14.12878 21.17128       14.38409  15.90670       
20.41160  26.36485       20.27346  43.89365 16.63428 50.39557 16.84131 
-6.501923      23.67127 
1 1 1 -14 20 19 o 61.81200 12.52977 41.54468       15.21032  65.36844       
21.63125  18.24493       21.39204  77.34874 14.27836 45.68650 17.08992 
31.66224       22.26964 
1 1 1 -14 20 20 o 29.26695 13.16675 -6.756115      16.42764  10.20359       
22.76473  -25.18407      23.72968  42.05443 17.06245 30.43710 14.41111 
11.61733       22.33400 
1 1 1 -14 20 21 o 136.3023 8.282706 193.4958       22.84880  184.0911       
41.23749  197.6621       27.44717  128.8290 16.09177 137.0712 9.913794 
-8.242172      18.90048 
1 1 1 -14 20 22 o 58.51056 14.82691 39.07747       17.66339  19.46700       
24.66193  59.73265       25.31031  46.79155 18.14309 71.29390 17.57088 
-24.50235      25.25683 
1 1 1 -14 20 23 o 34.75943 14.47334 5.858059       16.94530  6.922986       
24.45328  4.874253       23.50347  40.16986 17.09209 38.76593 16.63199 
1.403927       23.84874 
1 1 1 -14 20 24 o 33.87973 14.82866 1.043710       19.45731  -28.90301      
32.17606  18.30766       24.43027  34.22787 16.36698 44.32652 17.78342 
-10.09865      24.16874 
1 1 1 -14 21 1  o 69.27882 9.216027 50.40602       12.66146  68.73228       
24.49160  43.72170       14.79139  79.14150 15.77181 63.78939 11.83860 
15.35211       19.72062 
1 1 1 -14 21 2  o 140.8614 5.530212 202.8420       15.84110  220.8822       
30.69487  196.2929       18.49432  145.6376 10.43344 138.4150 6.570581 
7.222672       12.33002 
1 1 1 -14 21 3  o 42.85427 10.47318 19.76209       9.049668  13.14866       
12.69296  26.59941       12.90602  37.65028 13.29717 49.54624 12.73864 
-11.89597      18.41433 
1 1 1 -14 21 4  o 188.2678 3.992754 361.3213       15.28621  345.1005       
21.05439  379.4030       22.22938  183.7589 5.634338 192.6683 5.673691 
-8.909454      7.996032 
1 1 1 -14 21 5  o 53.00560 8.854049 29.66851       9.207015  27.11089       
12.34492  32.87439       13.82114  50.07954 12.22815 55.12321 12.60414 
-5.043667      17.56109 
1 1 1 -14 21 6  o 76.81630 6.501115 60.80769       10.05999  56.59921       
13.81832  65.55364       14.67418  73.52802 9.461178 79.25551 9.280568 
-5.727493      13.25303 
1 1 1 -14 21 7  o 117.6382 4.952824 141.2289       11.84821  147.6017       
16.24520  133.9866       17.31800  119.8980 6.689538 114.0690 7.507804 
5.829056       10.05570 
1 1 1 -14 21 8  o 92.87653 5.730989 88.47124       10.77110  89.93079       
14.44991  86.64620       16.15810  93.32505 7.682281 91.37341 8.804979 
1.951645       11.68525 
1 1 1 -14 21 9  o 231.6934 4.103685 547.2149       19.33478  541.6844       
26.87113  553.1520       27.84170  230.2392 5.739253 232.6337 5.885344 
-2.394501      8.220481 
1 1 1 -14 21 10 o 41.31107 11.44170 18.23945       9.941564  22.39234       
12.85131  12.05065       15.68827  45.76262 13.12696 38.85018 14.61513 
6.912437       19.64482 
1 1 1 -14 21 11 o 154.0343 4.668721 242.0760       14.62402  237.8149       
20.15740  246.8111       21.24870  152.4265 6.503135 155.2460 6.730706 
-2.819534      9.359122 
1 1 1 -14 21 12 o 71.59592 8.043258 53.31067       11.50776  72.12646       
15.40674  29.56591       17.30746  83.14872 9.269565 52.36613 15.29572 
30.78259       17.88530 
1 1 1 -14 21 13 o 230.0946 5.073402 540.6796       23.73871  573.8592       
29.46028  479.2516       40.08528  236.8143 6.117548 215.5714 9.144131 
21.24300       11.00180 
1 1 1 -14 21 14 o 134.3436 6.639920 184.9641       18.13974  186.7708       
34.70044  184.2848       21.27868  132.9499 13.00139 133.6619 7.863266 
-0.7120361     15.19431 
1 1 1 -14 21 15 o 286.3915 4.554637 837.2589       26.52561  868.2678       
37.98819  807.7547       37.05498  291.0811 6.417754 280.7295 6.490933 
10.35162       9.127967 
1 1 1 -14 21 16 o 76.17132 12.07192 62.07879       18.07550  47.22308       
23.53506  83.44433       28.22444  65.02836 17.43892 86.96577 16.56465 
-21.93741      24.05210 
1 1 1 -14 21 17 o 99.40858 7.449042 102.2107       14.94881  105.3616       
21.05976  99.01087       21.22281  100.1209 10.50003 96.88048 10.96555 
3.240402       15.18202 
1 1 1 -14 21 18 o 78.38900 9.671059 64.66780       15.08944  62.17596       
20.91072  67.37514       21.79621  75.46090 14.14660 78.62501 14.15275 
-3.164108      20.01066 
1 1 1 -14 21 19 o 80.36744 9.755346 68.07111       15.61634  66.65067       
21.75396  69.58137       22.43129  78.04367 14.23160 79.73275 14.36286 
-1.689079      20.21955 
1 1 1 -14 21 20 o 84.47681 10.18055 75.57963       17.13649  115.4372       
24.35600  36.50653       24.11512  104.0443 11.71547 57.34131 18.31700 
46.70298       21.74315 
1 1 1 -14 21 21 o 157.7696 7.697569 258.0171       24.69610  273.4090       
43.87638  250.8796       29.87836  158.6511 13.73544 154.5083 9.556320 
4.142761       16.73277 
1 1 1 -14 21 22 o 38.46913 15.07701 11.65159       17.17195  -2.096333      
23.96131  26.16781       24.62175  36.85134 16.28054 50.04875 18.40785 
-13.19741      24.57447 
1 1 1 -14 21 23 o 42.39395 15.63959 18.41078       17.79290  -15.76547      
25.78621  49.47163       24.58283  33.37633 15.55194 63.17435 18.16531 
-29.79803      23.91320 
1 1 1 -14 21 24 o 44.76218 16.23741 22.62316       19.06313  48.49997       
32.21979  8.685801       23.64599  59.81389 21.17900 39.42163 16.79146 
20.39226       27.02782 
1 1 1 -14 22 1  o 105.1766 6.405368 113.8102       13.63453  85.69069       
23.96651  127.2659       16.57880  89.24818 13.63843 111.0355 7.384539 
-21.78734      15.50929 
1 1 1 -14 22 2  o 51.32754 12.12917 28.59284       12.45931  25.88987       
24.44106  29.54186       14.48233  51.71719 18.43172 52.04987 13.55026 
-0.3326759     22.87658 
1 1 1 -14 22 3  o 84.92025 8.434894 74.96188       14.37334  0.000000       
0.000000  74.96188       14.37334  ?        ?        84.92025 8.434894 
0.000000       8.434894 
1 1 1 -14 22 4  o 103.4488 5.264976 109.6102       11.03916  121.6434       
15.44460  97.04171       15.78440  108.6962 7.024910 96.82252 8.090931 
11.87363       10.71506 
1 1 1 -14 22 5  o 275.4155 4.022923 773.3418       22.53106  783.2534       
31.71322  763.2397       32.01641  276.8162 5.633748 273.2234 5.762398 
3.592804       8.058805 
1 1 1 -14 22 6  o 149.8636 4.270030 229.0371       13.01303  213.1162       
17.76318  247.4787       19.11780  144.3450 6.051563 155.5484 6.043949 
-11.20343      8.552820 
1 1 1 -14 22 7  o 93.47687 5.553865 89.59676       10.50981  98.06991       
14.28365  79.59414       15.51935  97.53465 7.253486 87.49755 8.843602 
10.03710       11.43776 
1 1 1 -14 22 8  o 164.9739 4.316504 277.5565       14.48101  266.8191       
19.74093  290.0653       21.30712  161.5251 6.010024 168.3795 6.222776 
-6.854370      8.651204 
1 1 1 -14 22 9  o 211.3425 4.161283 455.4182       17.88404  472.2551       
24.94789  437.6198       25.65044  214.9493 5.707505 206.8402 6.098294 
8.109085       8.352533 
1 1 1 -14 22 10 o 166.7114 4.538436 283.5436       15.38591  272.3505       
20.92521  296.7172       22.70103  163.1316 6.307836 170.2281 6.557870 
-7.096558      9.099146 
1 1 1 -14 22 11 o 141.4425 4.915089 204.2416       14.13717  218.7688       
19.68767  188.7770       20.31296  146.1447 6.624599 135.4383 7.403353 
10.70648       9.934533 
1 1 1 -14 22 12 o 126.7030 6.080673 164.2793       15.66715  162.3546       
18.90198  168.5041       28.00446  125.5462 7.436898 126.9732 10.95303 
-1.426964      13.23920 
1 1 1 -14 22 13 o 106.7778 6.935840 117.4195       14.97862  106.2634       
17.87153  143.7575       27.45979  101.1608 8.774476 116.9189 11.70674 
-15.75812      14.63008 
1 1 1 -14 22 14 o 204.1137 5.588600 426.1416       23.19672  368.2501       
40.77100  453.8511       28.20712  187.9717 10.71049 210.4007 6.592651 
-22.42896      12.57687 
1 1 1 -14 22 15 o 195.7564 4.871250 391.5044       19.39134  419.2969       
27.84774  365.3433       27.01807  202.1342 6.774835 188.6111 7.044264 
13.52309       9.773436 
1 1 1 -14 22 16 o 121.5121 8.364407 153.0544       20.54247  168.1522       
27.38780  133.6359       31.06044  126.6314 10.73678 111.5765 13.99743 
15.05487       17.64105 
1 1 1 -14 22 17 o 76.44762 9.554924 61.50795       14.52958  66.97816       
20.07950  55.49576       21.05074  78.77525 12.98730 70.89968 15.06523 
7.875565       19.89048 
1 1 1 -14 22 18 o 96.45084 8.082963 96.66436       15.70742  92.21564       
22.15528  101.1603       22.27248  93.00279 11.99417 97.67043 11.43000 
-4.667633      16.56819 
1 1 1 -14 22 19 o 54.00500 14.00458 32.26669       15.50925  17.49011       
20.65138  51.38179       23.48824  44.68621 16.77658 67.36862 17.11202 
-22.68242      23.96404 
1 1 1 -14 22 20 o 69.66017 12.15484 52.77637       16.59181  55.66524       
23.48967  49.89992       23.43914  69.88869 16.74707 66.00471 17.26537 
3.883980       24.05322 
1 1 1 -14 22 21 o 43.79957 16.53411 17.48727       20.11692  24.56490       
36.46950  14.39190       24.11804  53.88248 21.68874 44.18259 17.68928 
9.699890       27.98771 
1 1 1 -14 22 22 o 67.05091 15.60667 52.44448       20.88097  56.05781       
25.40712  44.92459       36.65281  68.10172 18.05371 61.12129 22.46252 
6.980431       28.81842 
1 1 1 -14 22 23 o 34.27604 14.58596 4.290868       17.81174  -7.688856      
25.46954  15.75802       24.91871  35.21093 16.05925 43.62071 17.79297 
-8.409782      23.96851 
1 1 1 -14 23 1  o 129.6440 5.809135 172.1279       15.31495  154.2411       
28.79657  179.1824       18.08461  120.8291 11.87307 131.9384 6.763145 
-11.10931      13.66419 
1 1 1 -14 23 2  o 72.71777 8.413730 55.22605       12.21193  48.78142       
22.71875  57.84477       14.48204  66.15967 16.84271 74.09267 9.856314 
-7.932999      19.51470 
1 1 1 -14 23 3  o 138.8964 4.435921 196.8972       12.52928  199.4830       
17.16761  193.9502       18.32735  139.5801 6.048320 137.5477 6.552319 
2.032471       8.917121 
1 1 1 -14 23 4  o 90.55077 5.691347 84.19148       10.42662  80.90271       
14.59016  87.62411       14.90585  88.28560 8.221302 91.94579 8.053292 
-3.660187      11.50849 
1 1 1 -14 23 5  o 90.87228 5.697316 84.77454       10.47493  86.70692       
14.16921  82.44563       15.55519  91.55253 7.681692 89.04089 8.702052 
2.511642       11.60750 
1 1 1 -14 23 6  o 212.3990 4.009745 459.9846       17.31891  467.5658       
24.27041  452.1192       24.72109  213.8619 5.580747 210.2579 5.781809 
3.603943       8.035798 
1 1 1 -14 23 7  o 153.8538 4.366628 241.4697       13.66174  231.4865       
18.77503  252.7040       19.91670  150.3996 6.138788 157.1254 6.233324 
-6.725815      8.748660 
1 1 1 -14 23 8  o 38.18400 11.39709 15.35609       9.523451  10.17712       
12.57665  22.31726       14.58091  35.23700 13.11897 45.98854 14.18130 
-10.75154      19.31882 
1 1 1 -14 23 9  o 23.66127 10.37704 -2.143217      9.571024  -12.13498      
12.44673  12.31258       14.97115  22.84280 10.69650 38.47361 14.31554 
-15.63081      17.87036 
1 1 1 -14 23 10 o 218.3546 4.251691 486.3187       18.87885  479.3809       
25.88418  494.2042       27.59536  216.4796 5.879848 219.7328 6.175752 
-3.253174      8.527163 
1 1 1 -14 23 11 o 242.0849 4.799500 598.3445       23.62736  607.9351       
29.23407  580.2801       40.12183  243.7612 5.897573 237.4267 8.309978 
6.334549       10.19005 
1 1 1 -14 23 12 o 237.4690 4.919712 575.9500       23.75735  589.6783       
29.27338  549.4613       40.66247  240.0213 5.997518 230.8611 8.661471 
9.160278       10.53524 
1 1 1 -14 23 13 o 170.6439 4.738331 297.3652       16.44249  303.4867       
22.58711  290.4642       23.98190  172.0724 6.455027 168.2191 7.010628 
3.853302       9.529757 
1 1 1 -14 23 14 o 81.08382 7.986501 68.34490       12.99772  84.59272       
18.29262  51.77723       18.47180  89.72309 10.20753 68.96268 13.65487 
20.76041       17.04844 
1 1 1 -14 23 15 o 67.62672 11.00078 48.83263       14.60840  69.81630       
23.18926  35.02591       18.81012  79.88322 14.82082 56.34048 15.78618 
23.54274       21.65318 
1 1 1 -14 23 16 o 28.59837 12.69026 -4.304530      14.71556  -10.13528      
17.84227  8.098703       26.02288  29.48931 13.44642 43.38718 17.98991 
-13.89787      22.45981 
1 1 1 -14 23 17 o 108.0114 7.244454 120.5911       15.81991  137.4403       
22.83878  105.0504       21.93410  114.5642 9.900595 99.69492 11.00250 
14.86932       14.80125 
1 1 1 -14 23 18 o 60.84258 12.30934 40.31678       14.70677  29.15814       
20.39874  52.39515       21.22275  52.08379 16.86864 68.52900 15.58163 
-16.44521      22.96385 
1 1 1 -14 23 19 o 108.0629 7.823487 121.3146       17.07576  121.0911       
23.42955  121.5678       24.93855  106.8980 10.93192 106.8139 11.67126 
0.8411407E-01  15.99142 
1 1 1 -14 23 20 o 142.0138 6.731527 208.0362       19.43997  192.9172       
27.09871  224.0666       27.90349  135.3014 9.918170 146.0994 9.442528 
-10.79800      13.69421 
1 1 1 -14 23 21 o 180.7890 7.188375 339.0593       26.42738  358.0520       
48.77295  331.1656       31.44326  181.0553 13.34095 177.8569 8.693712 
3.198334       15.92361 
1 1 1 -14 23 22 o 37.21588 15.62538 6.578207       19.99447  23.19737       
24.46588  -26.84219      34.69461  47.70504 18.17967 36.85113 17.44145 
10.85391       25.19335 
1 1 1 -14 23 23 o 24.94277 11.88750 -17.82412      16.68219  -8.537187      
25.41381  -24.85553      22.11338  34.67825 15.90098 27.98467 13.43090 
6.693583       20.81418 
1 1 1 -14 24 1  o 79.15715 7.139124 64.95623       11.36809  67.69038       
23.07589  64.08002       13.06327  78.45399 15.01102 78.34769 8.326880 
0.1062927      17.16589 
1 1 1 -14 24 2  o 150.2379 5.446992 230.9687       16.64132  192.1934       
30.75868  247.0159       19.78744  135.2067 11.29041 155.2091 6.269325 
-20.00243      12.91425 
1 1 1 -14 24 3  o 108.7599 5.588501 121.3545       12.31817  113.2068       
15.35843  136.0474       20.62439  104.7100 7.257635 114.4084 8.935764 
-9.698410      11.51178 
1 1 1 -14 24 4  o 123.9446 4.713948 156.8829       11.88130  161.9507       
16.39650  151.2798       17.24065  125.5319 6.444839 121.1914 7.025836 
4.340538       9.534060 
1 1 1 -14 24 5  o 118.9808 4.848212 144.5843       11.73032  162.6937       
16.59721  126.5099       16.58116  125.8227 6.508988 110.7265 7.406690 
15.09629       9.860323 
1 1 1 -14 24 6  o 132.5897 4.634791 179.4655       12.49659  176.6976       
17.00464  182.7156       18.42656  131.3305 6.367228 133.3048 6.820302 
-1.974304      9.330493 
1 1 1 -14 24 7  o 53.56502 9.035854 30.38798       9.492194  33.40548       
12.50103  26.27941       14.58709  55.68913 11.42210 49.27427 13.93527 
6.414864       18.01822 
1 1 1 -14 24 8  o 139.0875 4.580480 197.4556       12.95539  208.9057       
17.97589  185.0801       18.68823  142.8370 6.188686 134.1648 6.872876 
8.672165       9.248581 
1 1 1 -14 24 9  o 66.66660 7.888811 46.32338       10.48739  37.94023       
13.69361  58.21589       16.30990  59.35471 11.76096 74.04751 11.17968 
-14.69279      16.22668 
1 1 1 -14 24 10 o 139.0660 5.470627 197.7411       15.47069  208.8553       
18.94894  175.5219       26.79236  142.7519 6.527571 129.7374 10.23855 
13.01448       12.14237 
1 1 1 -14 24 11 o 195.8934 4.960218 392.0232       19.75932  414.7393       
24.31110  347.8104       33.91663  201.2835 5.939431 183.5003 9.089176 
17.78325       10.85771 
1 1 1 -14 24 12 o 117.8568 5.739162 142.1564       13.75481  176.3538       
18.95584  104.1267       19.98980  130.8455 7.151223 99.74427 9.989573 
31.10126       12.28542 
1 1 1 -14 24 13 o 49.44046 11.62348 26.53318       11.48930  20.17804       
15.79861  33.66720       16.73876  44.50740 14.86697 55.33253 14.64675 
-10.82513      20.86993 
1 1 1 -14 24 14 o 51.13972 11.76733 28.43166       11.98310  17.31024       
16.25214  41.68047       17.73858  42.54466 15.04420 61.48664 14.43408 
-18.94199      20.84875 
1 1 1 -14 24 15 o 111.7896 7.310269 129.1383       16.52677  119.4358       
25.86073  135.8364       21.48706  105.9651 12.22556 114.0967 9.342798 
-8.131584      15.38675 
1 1 1 -14 24 16 o 93.63826 8.901241 91.59222       16.74557  104.4047       
20.61048  66.70743       28.72353  99.58922 10.32724 76.50366 18.63544 
23.08556       21.30567 
1 1 1 -14 24 17 o 134.1033 6.168290 184.5602       16.82115  197.5977       
23.92059  171.8063       23.65897  137.9156 8.571594 128.3813 9.121758 
9.534317       12.51714 
1 1 1 -14 24 18 o 79.23795 9.805434 66.36047       15.46248  58.63414       
21.43667  74.74033       22.32487  72.65434 15.00601 82.76698 13.74644 
-10.11263      20.35055 
1 1 1 -14 24 19 o 69.20872 11.72743 51.89898       15.91560  49.41941       
21.97879  54.63266       23.07751  65.90584 16.45096 69.27187 16.59964 
-3.366035      23.37054 
1 1 1 -14 24 20 f 128.8823 7.188743 172.4525       18.76567  186.8256       
26.76517  158.5558       26.31783  132.9200 9.974867 122.0345 10.71355 
10.88543       14.63824 
1 1 1 -14 24 21 o 51.52498 17.01939 30.18116       20.72365  68.68160       
40.75992  16.75900       24.06643  72.56882 23.86373 44.79541 17.75602 
27.77341       29.74481 
1 1 1 -14 24 22 f 36.48701 15.54025 5.129632       20.25046  -1.083992      
24.78931  17.59408       35.10980  37.04797 16.45374 48.58344 20.56784 
-11.53547      26.33936 
1 1 1 -14 24 23 o 34.09632 14.49085 5.152187       17.53913  -3.479069      
25.73212  12.64162       23.96972  36.13157 16.34593 41.11556 17.17474 
-4.983997      23.70994 
1 1 1 -14 25 1  o 108.1049 5.721385 120.1078       12.53283  113.1309       
27.49921  121.9369       14.08015  102.4416 13.53176 108.7837 6.393005 
-6.342064      14.96593 
1 1 1 -14 25 2  o 164.3097 4.732656 275.9278       15.81319  248.5367       
32.56583  284.3788       18.08887  154.0782 10.45557 166.6902 5.336420 
-12.61200      11.73866 
1 1 1 -14 25 3  o 172.2557 6.043438 304.1241       21.16943  297.3105       
34.53198  308.2264       26.79494  168.8280 10.10476 173.0077 7.616155 
-4.179779      12.65353 
1 1 1 -14 25 4  o 95.70128 6.058543 94.21270       11.72980  95.80083       
14.46897  91.16782       20.03448  96.22517 7.452428 92.97427 10.79760 
3.250908       13.11971 
1 1 1 -14 25 5  o 62.18259 10.56687 41.25213       12.88372  41.25213       
12.88372  0.000000       0.000000  62.18259 10.56687 ?        ?        
0.000000       10.56687 
1 1 1 -14 25 6  o 33.45689 12.12012 9.871119       10.61605  5.633233       
11.78589  28.09583       24.44096  31.17473 12.40399 52.90029 18.46893 
-21.72556      22.24770 
1 1 1 -14 25 7  o 335.5775 5.970313 1153.089       40.74190  1153.089       
40.74190  0.000000       0.000000  335.5775 5.970313 ?        ?        
0.000000       5.970313 
1 1 1 -14 25 8  o 105.5000 5.467323 114.1362       11.68924  131.3447       
15.40986  90.81535       17.93907  112.9556 6.739418 93.19739 9.603060 
19.75822       11.73194 
1 1 1 -14 25 9  o 40.80571 12.11785 17.69943       10.78640  24.59380       
13.02736  2.668537       19.23542  47.61265 13.06153 36.16706 15.26276 
11.44559       20.08869 
1 1 1 -14 25 10 o 84.79961 7.359664 74.44989       12.56536  87.55084       
15.37061  48.05515       21.81717  91.79413 8.324816 65.75159 16.37812 
26.04253       18.37240 
1 1 1 -14 25 11 o 89.33198 7.095157 82.48204       12.78289  62.73015       
14.80818  140.2400       25.32231  77.24725 9.636445 115.5576 10.90482 
-38.31036      14.55254 
1 1 1 -14 25 12 o 65.33235 8.869476 44.88940       11.47897  34.28395       
15.33679  58.39775       17.30897  55.90046 13.61750 73.81911 11.93810 
-17.91864      18.10951 
1 1 1 -14 25 13 o 74.13979 8.166022 57.36964       12.10740  38.13811       
16.17974  81.84235       18.25180  58.90463 13.75651 88.10313 10.38705 
-29.19851      17.23753 
1 1 1 -14 25 14 o 141.3015 6.127558 204.7776       17.60701  199.2687       
27.92146  208.4144       22.68607  138.0594 10.01346 141.9383 7.890898 
-3.878922      12.74895 
1 1 1 -14 25 15 o 244.0427 5.561604 610.0768       27.60052  531.5920       
50.28961  643.9083       33.01763  225.4018 10.97159 250.3847 6.484653 
-24.98289      12.74466 
1 1 1 -14 25 16 o 202.6771 4.943370 420.2162       20.37414  427.2803       
28.81647  413.1552       28.81030  203.7695 6.954250 200.3322 7.072053 
3.437256       9.918444 
1 1 1 -14 25 17 o 29.74647 12.66637 0.8717940      13.44734  4.019844       
19.17592  -2.174281      18.86278  36.49248 15.31091 33.44381 14.62007 
3.048672       21.17004 
1 1 1 -14 25 18 o 80.67243 9.690036 68.81232       15.57847  71.69798       
22.17553  66.00053       21.88981  80.78860 14.00569 77.25619 14.46503 
3.532410       20.13446 
1 1 1 -14 25 19 o 96.27734 8.803124 97.34151       17.04430  103.7191       
23.92098  90.76467       24.29187  97.99795 12.27272 91.01910 13.53643 
6.978851       18.27169 
1 1 1 -14 25 20 o 55.28823 14.42249 34.77156       16.38510  8.059780       
22.94175  62.58340       23.40939  40.39354 16.83174 73.69917 16.07257 
-33.30563      23.27306 
1 1 1 -14 25 21 o 176.2931 7.403465 324.3101       26.54128  359.2544       
51.61937  311.7516       30.94519  178.9911 14.30117 171.6721 8.894755 
7.318985       16.84162 
1 1 1 -14 25 22 o 27.35829 12.73146 -11.61230      17.19304  32.69380       
25.49075  -48.59068      23.28761  52.13387 18.79703 24.56673 12.19243 
27.56714       22.40499 
1 1 1 -14 25 23 o 57.60731 15.88278 41.62437       19.20663  -1.179047      
32.16280  65.34898       23.94497  39.86928 18.13057 71.89937 16.69711 
-32.03009      24.64774 
1 1 1 -14 26 1  o 79.96915 7.229402 66.43311       11.62933  84.38384       
24.15136  61.01474       13.26889  87.94904 13.97109 76.23967 8.715187 
11.70937       16.46651 
1 1 1 -14 26 2  o 195.1223 4.331994 388.9212       17.18882  354.9320       
35.21273  399.5539       19.69470  184.5855 9.412299 197.6430 4.900230 
-13.05751      10.61149 
1 1 1 -14 26 3  o 119.4878 5.523176 146.2177       13.42035  128.0825       
28.57066  151.3519       15.20180  109.3469 13.11018 121.3041 6.183176 
-11.95722      14.49512 
1 1 1 -14 26 4  o 115.5791 6.663170 137.6400       15.59433  137.6400       
15.59433  0.000000       0.000000  115.5791 6.663170 ?        ?        
0.000000       6.663170 
1 1 1 -14 26 5  o 51.03445 11.97384 28.36359       12.21236  28.36359       
12.21236  0.000000       0.000000  51.03445 11.97384 ?        ?        
0.000000       11.97384 
1 1 1 -14 26 6  o 138.9206 6.183741 197.8457       17.46906  197.8457       
17.46906  0.000000       0.000000  138.9206 6.183741 ?        ?        
0.000000       6.183741 
1 1 1 -14 26 7  o 206.2562 5.592666 435.4338       23.45726  435.4338       
23.45726  0.000000       0.000000  206.2562 5.592666 ?        ?        
0.000000       5.592666 
1 1 1 -14 26 8  o 142.7524 5.104886 208.3467       14.81907  208.0329       
17.90961  209.0280       26.38917  142.4620 6.182095 141.8294 9.199371 
0.6326294      11.08362 
1 1 1 -14 26 9  o 115.6120 5.704621 136.8476       13.41162  136.9485       
16.03893  136.6131       24.45427  115.2766 6.873237 114.0744 10.66558 
1.202271       12.68842 
1 1 1 -14 26 10 o 131.4261 5.444876 176.7536       14.55195  170.2446       
17.56350  191.0047       25.98842  128.5943 6.739876 135.4289 9.496703 
-6.834641      11.64531 
1 1 1 -14 26 11 o 31.87800 11.77579 8.555507       10.09401  20.06413       
13.07368  -8.430880      15.88315  43.48113 13.43171 28.12239 12.77027 
15.35874       18.53349 
1 1 1 -14 26 12 o 70.09689 8.157412 51.37220       11.41047  54.02226       
15.39631  48.14298       16.99565  71.14926 10.99585 66.48439 13.03682 
4.664871       17.05483 
1 1 1 -14 26 13 o 166.5552 4.826912 283.6225       16.34854  298.9375       
22.81591  267.4620       23.43726  170.5901 6.577070 161.2104 7.149279 
9.379700       9.714424 
1 1 1 -14 26 14 o 89.37388 8.244339 83.24166       14.81475  94.31123       
23.04775  75.44781       19.33924  93.83458 12.38087 84.03658 11.62828 
9.798004       16.98537 
1 1 1 -14 26 15 o 42.99508 14.75507 18.58741       15.56749  24.96944       
29.62533  16.15292       18.29733  52.65033 20.01907 42.63739 15.83376 
10.01293       25.52393 
1 1 1 -14 26 16 o 38.63358 13.68559 14.23314       13.45506  9.725915       
18.78474  18.98199       19.28165  39.11040 15.62809 44.87285 16.32215 
-5.762447      22.59756 
1 1 1 -14 26 17 o 146.1915 5.956022 219.4465       17.70638  216.7383       
24.50945  222.4029       25.60787  144.3676 8.384690 146.1422 8.655369 
-1.774597      12.05066 
1 1 1 -14 26 18 o 106.5771 7.715146 118.1750       16.60779  135.1551       
23.88648  102.2853       23.10685  112.9555 10.52003 97.58356 11.89010 
15.37191       15.87594 
1 1 1 -14 26 19 o 34.06851 13.85952 6.344531       15.06819  4.207598       
21.22328  8.516603       21.39706  37.68851 15.97531 39.78659 16.38787 
-2.098083      22.88608 
1 1 1 -14 26 20 o 80.79887 10.54645 70.51124       16.91525  86.74117       
24.81553  56.42567       23.11811  87.70728 14.41439 69.31042 16.61757 
18.39686       21.99815 
1 1 1 -14 26 21 o 144.3102 10.65391 225.6100       31.04385  158.1441       
46.19717  281.1594       41.91920  111.2248 21.19893 158.7497 13.10228 
-47.52492      24.92116 
1 1 1 -14 26 22 o 50.01095 15.75995 30.37361       17.89880  9.418149       
25.64631  50.27316       24.99183  40.68813 17.41286 62.22188 18.43794 
-21.53374      25.36071 
1 1 1 -14 26 23 o 28.10913 13.10865 -10.92836      18.38162  -38.89882      
30.96975  4.284366       22.83975  30.86207 15.06405 36.47182 16.01191 
-5.609747      21.98425 
1 1 1 -14 27 1  o 102.0809 6.712650 107.7480       13.85674  0.000000       
0.000000  107.7480       13.85674  ?        ?        102.0809 6.712650 
0.000000       6.712650 
1 1 1 -14 27 2  o 153.5142 4.818487 241.1121       15.04217  271.7542       
33.24364  233.2233       16.86771  160.9498 10.20989 150.8406 5.499035 
10.10924       11.59660 
1 1 1 -14 27 3  o 31.90252 13.19564 3.791208       13.95184  -5.963474      
21.80078  10.55760       18.15700  34.51291 15.37308 39.18248 15.45705 
-4.669571      21.80028 
1 1 1 -14 27 4  o 109.0175 5.944647 122.2430       13.12897  129.4164       
14.90789  97.45161       27.71429  112.0394 6.572020 94.38313 14.93690 
17.65623       16.31877 
1 1 1 -14 27 5  o 114.0818 5.363278 133.2358       12.44223  136.5319       
15.49095  127.2440       20.88607  115.0890 6.647310 110.3387 9.398005 
4.750244       11.51127 
1 1 1 -14 27 6  o 110.1774 5.555193 124.6226       12.40632  131.3390       
15.48908  112.6013       20.72204  112.8541 6.780731 103.6006 9.958716 
9.253532       12.04800 
1 1 1 -14 27 7  o 47.33552 12.32899 24.43882       11.98559  24.43882       
11.98559  0.000000       0.000000  47.33552 12.32899 ?        ?        
0.000000       12.32899 
1 1 1 -14 27 8  o 139.1544 6.109734 198.5718       17.28903  198.5718       
17.28903  0.000000       0.000000  139.1544 6.109734 ?        ?        
0.000000       6.109734 
1 1 1 -14 27 9  o 93.11021 6.579416 89.45872       12.37745  89.26645       
15.00730  89.86772       21.88840  92.67662 8.042829 91.79894 12.01360 
0.8776779      14.45730 
1 1 1 -14 27 10 o 36.82194 11.72859 14.03822       9.892602  12.73797       
12.76428  15.99396       15.65449  37.15820 13.31179 41.23070 14.74508 
-4.072506      19.86508 
1 1 1 -14 27 11 o 113.2921 5.379468 131.4083       12.39340  134.8192       
16.61601  127.1314       18.60619  114.2271 7.189987 110.6042 8.333685 
3.622940       11.00664 
1 1 1 -14 27 12 o 251.1062 4.350397 644.1106       22.21456  655.5177       
31.34368  632.5974       31.48910  252.7536 6.098194 248.2432 6.237800 
4.510391       8.723423 
1 1 1 -14 27 13 o 112.8380 6.637240 131.3490       15.16273  123.2695       
23.31844  137.2677       19.95822  108.0396 10.75667 114.8066 8.611507 
-6.766983      13.77911 
1 1 1 -14 27 14 o 240.4263 5.126423 591.8013       25.06385  661.8501       
42.12994  553.4277       31.18223  252.9131 8.191586 231.9740 6.610229 
20.93918       10.52602 
1 1 1 -14 27 15 o 113.9299 7.967725 134.8612       18.34344  151.2430       
34.78171  128.5492       21.59004  117.7405 14.85772 110.6526 9.692616 
7.087875       17.73975 
1 1 1 -14 27 16 f 137.9407 6.010973 195.4225       16.86121  197.6427       
23.15859  192.9178       24.59706  137.8640 8.299245 135.9563 8.946754 
1.907700       12.20335 
1 1 1 -14 27 17 o 55.91201 13.27529 34.70177       14.86864  59.91583       
21.19326  10.26172       20.86543  73.30443 14.72843 40.60064 16.38318 
32.70378       22.03032 
1 1 1 -14 27 18 o 67.52126 11.86247 49.75872       15.69360  73.61594       
22.39196  26.72649       22.00140  81.51212 14.01404 50.25057 17.52415 
31.26154       22.43856 
1 1 1 -14 27 19 o 42.23952 14.79238 18.32658       15.68448  17.32238       
22.11111  19.34361       22.25197  44.43805 17.19353 45.60263 17.34737 
-1.164577      24.42435 
1 1 1 -14 27 20 o 52.77831 14.57238 32.22663       16.15454  27.03974       
23.46531  36.89988       22.27320  49.74570 18.01957 55.75096 17.58189 
-6.005264      25.17594 
1 1 1 -14 27 21 o 93.51687 11.61906 97.20332       21.61971  92.66146       
27.23314  104.9447       35.55402  88.31316 15.74142 90.34175 19.89136 
-2.028587      25.36649 
1 1 1 -14 27 22 o 100.3051 9.443213 109.8769       19.03494  98.13203       
27.62665  120.4917       26.26396  89.62175 15.73266 102.1492 12.93342 
-12.52747      20.36639 
1 1 1 -14 28 1  o 200.4076 4.949039 411.4023       20.16910  0.000000       
0.000000  411.4023       20.16910  ?        ?        200.4076 4.949039 
0.000000       4.949039 
1 1 1 -14 28 2  o 123.5572 6.567418 157.5858       16.44189  103.5970       
28.04935  185.8474       20.29405  97.08666 14.66431 133.9181 7.482006 
-36.83147      16.46276 
1 1 1 -14 28 3  o 177.0789 5.706832 321.6995       20.55007  272.4293       
35.21339  347.1461       25.30639  160.7692 10.83410 183.6130 6.777591 
-22.84375      12.77942 
1 1 1 -14 28 4  o 67.96597 8.971250 48.74391       12.09623  59.94034       
25.35295  45.44400       13.76383  72.58689 17.40172 65.07237 10.77867 
7.514519       20.46947 
1 1 1 -14 28 5  o 42.76628 10.79259 19.88069       9.386235  16.54334       
13.03252  23.47754       13.52972  40.31725 13.50273 46.42871 13.51298 
-6.111462      19.10299 
1 1 1 -14 28 6  o 83.26192 6.193349 71.55070       10.41129  60.75505       
14.35471  83.53269       15.12289  75.88824 9.510722 89.47100 8.410632 
-13.58276      12.69616 
1 1 1 -14 28 7  o 102.6986 5.424830 108.3191       11.28909  127.5310       
15.83503  88.46235       16.09860  111.0945 7.045772 92.02371 8.706206 
19.07076       11.20004 
1 1 1 -14 28 8  o 66.10365 8.862784 46.04975       11.61372  52.28599       
13.12052  23.48090       24.96000  70.36170 9.405262 50.07396 18.51344 
20.28775       20.76551 
1 1 1 -14 28 9  o 121.0978 5.276746 150.1418       12.99433  156.1413       
16.92052  141.5168       20.28797  123.0351 6.789177 116.5994 8.617448 
6.435707       10.97057 
1 1 1 -14 28 10 o 52.03434 10.08900 29.13595       10.29021  31.23849       
13.28319  25.98046       16.27282  53.37647 12.46379 48.91869 14.96438 
4.457783       19.47508 
1 1 1 -14 28 11 o 150.3889 4.712700 231.2807       14.41242  238.7949       
19.66798  222.5663       21.18043  152.4594 6.343868 147.0005 7.085402 
5.458893       9.510393 
1 1 1 -14 28 12 o 169.1247 4.782546 292.5915       16.44817  292.1610       
22.94254  293.0468       23.59356  168.5134 6.695080 168.7141 6.876868 
-0.2007294     9.597677 
1 1 1 -14 28 13 o 207.4457 8.122730 445.4146       34.26556  445.4146       
34.26556  0.000000       0.000000  207.4457 8.122730 ?        ?        
0.000000       8.122730 
1 1 1 -14 28 14 o 158.3801 5.175238 256.9571       16.66796  257.3331       
23.26461  256.5605       23.89203  157.9344 7.243819 157.6303 7.453530 
0.3041229      10.39365 
1 1 1 -14 28 15 f 102.4630 8.475686 109.6366       17.50155  132.5681       
34.29450  101.5612       20.35117  109.4210 15.87601 97.94825 10.37538 
11.47272       18.96566 
1 1 1 -14 28 16 o 138.1847 6.041433 196.2795       16.97663  195.0177       
23.88701  197.5674       24.13202  136.7159 8.636330 137.5970 8.668807 
-0.8810730     12.23660 
1 1 1 -14 28 17 o 107.8940 8.420725 121.7803       18.32926  92.78436       
22.35333  181.2852       32.02214  92.64554 12.15853 129.8828 12.26937 
-37.23724      17.27331 
1 1 1 -14 28 18 o 79.55265 10.03678 67.66895       15.87544  65.23652       
22.54880  70.05976       22.35499  75.85918 15.14754 79.02832 14.44263 
-3.169144      20.92935 
1 1 1 -14 28 19 o 96.03345 8.828225 97.68828       17.04736  97.34912       
24.79734  97.99220       23.47425  93.51421 13.42499 94.32803 12.54910 
-0.8138123     18.37689 
1 1 1 -14 28 20 o 35.77784 14.40063 9.072070       16.07693  3.499784       
23.97772  13.62317       21.66953  38.31157 16.61893 41.43794 16.70472 
-3.126369      23.56346 
1 1 1 -14 28 21 o 73.19576 14.66647 63.77893       21.06984  62.61755       
25.80768  66.10034       36.48694  69.92464 18.03260 67.84071 22.59127 
2.083923       28.90571 
1 1 1 -14 28 22 o 60.42608 14.28804 44.68731       17.28075  50.49658       
25.78546  39.95089       23.28302  60.61283 18.88646 54.72187 18.03803 
5.890961       26.11645 
1 1 1 -14 29 1  o 74.59377 8.792368 58.72854       13.08083  0.000000       
0.000000  58.72854       13.08083  ?        ?        74.59377 8.792368 
0.000000       8.792368 
1 1 1 -14 29 2  o 97.67193 10.11749 101.0401       19.80386  0.000000       
0.000000  101.0401       19.80386  ?        ?        97.67193 10.11749 
0.000000       10.11749 
1 1 1 -14 29 3  o 68.62577 8.356568 49.55309       11.42105  -1.837008      
25.81972  62.05425       12.73465  38.89930 17.05232 76.92541 8.270694 
-38.02611      18.95221 
1 1 1 -14 29 4  o 147.2661 4.790967 221.9670       14.34754  250.0624       
31.77108  214.7696       16.08062  154.2296 10.18747 144.7159 5.464309 
9.513672       11.56041 
1 1 1 -14 29 5  o 69.13474 7.089475 49.77264       9.825950  53.38256       
13.67553  45.92019       14.12747  70.91691 9.740146 65.29312 11.03324 
5.623787       14.71743 
1 1 1 -14 29 6  o 140.0698 4.547401 200.6140       12.95266  189.4277       
17.90611  212.8918       18.75932  135.7136 6.488235 143.8930 6.411005 
-8.179382      9.121304 
1 1 1 -14 29 7  o 131.8756 4.638384 177.8558       12.43892  170.4829       
16.75842  186.9012       18.56209  128.7774 6.399442 134.5745 6.804956 
-5.797119      9.341322 
1 1 1 -14 29 8  o 19.76512 9.184401 -7.596378      8.894957  -2.972033      
11.64689  -14.06871      13.77892  25.68978 11.34998 23.63457 11.12636 
2.055202       15.89396 
1 1 1 -14 29 9  o 22.03046 10.19837 -8.528202      10.81313  -3.456709      
12.07072  -29.13305      24.33045  25.94520 11.50411 29.96352 14.30128 
-4.018322      18.35405 
1 1 1 -14 29 10 o 172.8678 4.459815 305.4962       15.67770  311.4172       
21.31271  298.5142       23.14350  174.1486 6.018208 170.3082 6.682547 
3.840424       8.993067 
1 1 1 -14 29 11 o 89.04980 6.518431 82.00181       11.72193  63.97856       
15.26051  107.9389       18.30682  77.70427 9.881170 101.5372 8.957998 
-23.83292      13.33729 
1 1 1 -14 29 12 o 232.9490 4.887389 555.4965       23.15204  604.9709       
37.93056  526.1194       29.22834  241.8898 7.711169 226.1796 6.354762 
15.71021       9.992253 
1 1 1 -14 29 13 o 48.11415 13.00992 25.53021       13.03472  9.930167       
19.24046  38.76350       17.72092  39.40403 15.79130 58.79501 14.82485 
-19.39098      21.65968 
1 1 1 -14 29 14 o 133.6608 5.642377 183.3624       15.33619  187.7067       
21.42697  178.7992       21.96017  134.4241 7.872828 131.0365 8.283871 
3.387680       11.42821 
1 1 1 -14 29 15 o 151.8348 5.763677 236.7868       17.79600  238.5540       
25.75199  235.1715       24.62080  151.3288 8.401344 150.3837 8.080621 
0.9450531      11.65672 
1 1 1 -14 29 16 o 147.0025 5.838562 222.1573       17.45348  236.5863       
24.76697  207.9224       24.59978  150.7315 8.109937 141.0633 8.616951 
9.668274       11.83313 
1 1 1 -14 29 17 o 64.56837 13.72280 46.70511       17.46297  33.41131       
21.41307  73.10451       30.17530  54.30703 17.25111 78.43616 19.09715 
-24.12913      25.73523 
1 1 1 -14 29 18 o 72.12944 11.31018 56.79176       16.04401  60.09484       
23.47325  53.89566       21.97963  71.78527 16.43448 68.05251 16.12906 
3.732765       23.02691 
1 1 1 -14 29 19 o 81.94667 10.21212 72.67927       16.64834  90.58879       
24.84876  58.09206       22.42585  89.33525 14.14973 70.13834 16.06814 
19.19691       21.41028 
1 1 1 -14 29 20 o 40.30568 14.94053 16.58219       16.27644  -8.421424      
23.91936  38.14381       22.21206  33.83583 15.48218 55.53219 17.56254 
-21.69636      23.41240 
1 1 1 -14 29 21 f 37.87420 14.84795 13.50828       16.65766  9.378511       
24.47688  17.07102       22.73449  39.64572 16.99017 42.28262 17.08741 
-2.636902      24.09658 
1 1 1 -14 29 22 o 43.59662 15.43463 23.18459       17.11159  2.205040       
25.13739  41.30100       23.35921  36.53862 16.37434 54.86248 18.06671 
-18.32387      24.38288 
1 1 1 -14 30 1  o 147.8548 6.259027 225.2964       18.81888  242.1133       
34.08921  217.9247       22.56968  150.7039 11.20359 144.7289 7.696308 
5.975052       13.59241 
1 1 1 -14 30 2  o 113.0108 6.284251 131.9565       14.38486  0.000000       
0.000000  131.9565       14.38486  ?        ?        113.0108 6.284251 
0.000000       6.284251 
1 1 1 -14 30 3  o 133.2292 5.562640 182.2716       15.07064  0.000000       
0.000000  182.2716       15.07064  ?        ?        133.2292 5.562640 
0.000000       5.562640 
1 1 1 -14 30 4  o 69.63971 8.156190 50.96908       11.33159  16.31177       
25.75563  59.28798       12.61850  46.28690 18.36183 75.10355 8.406375 
-28.81665      20.19465 
1 1 1 -14 30 5  o 32.27146 12.40263 7.899121       11.44729  5.331806       
24.23738  8.636227       12.98706  40.54427 17.12255 34.04167 13.17531 
6.502594       21.60488 
1 1 1 -14 30 6  o 91.31843 7.241831 86.61980       13.33771  118.3551       
26.04061  75.33366       15.52932  104.8738 12.45390 84.56783 9.177468 
20.30597       15.47015 
1 1 1 -14 30 7  o 102.2437 5.439864 107.5071       11.26967  105.4547       
15.55713  109.7733       16.34767  100.7045 7.654059 102.6873 7.888974 
-1.982864      10.99184 
1 1 1 -14 30 8  o 174.9568 4.268880 312.8851       15.18785  320.0753       
20.99468  304.9911       21.99816  176.5471 5.847862 172.2061 6.281835 
4.341080       8.582479 
1 1 1 -14 30 9  o 84.31049 7.782934 74.14244       13.19308  73.55205       
15.09699  76.05034       27.13917  83.61336 9.021931 81.91771 16.85400 
1.695648       19.11682 
1 1 1 -14 30 10 o 71.82233 7.616316 53.91126       10.95413  55.70148       
14.26042  51.33452       17.10857  72.34944 9.956516 68.46655 12.75746 
3.882889       16.18286 
1 1 1 -14 30 11 o 67.29742 12.87009 49.71905       16.97105  49.71905       
16.97105  0.000000       0.000000  67.29742 12.87009 ?        ?        
0.000000       12.87009 
1 1 1 -14 30 12 o 57.31882 11.03987 35.69344       12.40123  33.91183       
17.56928  37.46240       17.50687  54.94320 15.20791 57.72623 14.83364 
-2.783039      21.24423 
1 1 1 -14 30 13 o 165.3281 4.904632 279.9864       16.48939  269.8889       
22.95665  290.7485       23.70016  161.7075 6.981150 167.8538 6.943343 
-6.146332      9.846140 
1 1 1 -14 30 14 o 50.15344 12.66595 27.87034       12.92095  31.35936       
17.20547  23.35757       19.56754  52.88694 15.19413 47.49694 16.52857 
5.389999       22.45117 
1 1 1 -14 30 15 o 85.01637 8.494900 75.93070       14.48969  74.98351       
20.62029  76.85459       20.36511  82.92834 12.62617 84.13013 12.26445 
-1.201782      17.60218 
1 1 1 -14 30 16 o 118.9364 6.818547 146.6663       16.42259  154.2231       
23.23368  139.1208       23.21643  120.8797 9.529038 114.5285 10.07088 
6.351212       13.86453 
1 1 1 -14 30 17 o 99.40852 9.276169 104.7230       18.53519  135.3111       
23.62968  55.80202       29.88334  112.5182 10.44642 67.67542 20.18639 
44.84280       22.72923 
1 1 1 -14 30 18 o 115.1749 7.463825 138.8804       17.38708  130.0686       
24.62046  147.6473       24.55774  109.4930 11.21583 117.2103 10.41158 
-7.717361      15.30345 
1 1 1 -14 30 19 o 64.18468 13.20040 47.21419       16.65417  35.88609       
23.82458  58.03929       23.28964  54.44002 18.25648 69.20104 16.73372 
-14.76102      24.76523 
1 1 1 -14 30 20 o 35.22652 14.44766 8.567303       16.54229  5.504485       
23.73148  11.46205       23.07116  38.11349 16.53319 40.22513 16.83028 
-2.111637      23.59247 
1 1 1 -14 30 21 o 40.50907 15.11890 18.25387       16.72363  39.48301       
23.65155  -2.972548      23.65003  54.20074 18.19000 34.32802 15.58615 
19.87272       23.95421 
1 1 1 -14 31 1  o 138.9916 6.274520 199.2867       17.73457  207.2367       
31.22817  195.5022       21.54618  139.2316 11.12237 136.9380 7.769395 
2.293594       13.56726 
1 1 1 -14 31 2  o 79.83900 7.048949 66.44441       11.32682  69.47806       
28.66760  65.88322       12.33006  76.72176 18.57363 79.29846 7.745140 
-2.576706      20.12379 
1 1 1 -14 31 3  o 53.92004 11.14007 31.84564       11.81078  0.000000       
0.000000  31.84564       11.81078  ?        ?        53.92004 11.14007 
0.000000       11.14007 
1 1 1 -14 31 4  o 38.35093 13.27400 14.71415       12.61212  0.000000       
0.000000  14.71415       12.61212  ?        ?        38.35093 13.27400 
0.000000       13.27400 
1 1 1 -14 31 5  o 32.25321 12.35900 8.059193       11.34608  15.44003       
26.34505  6.378469       12.57171  46.05495 18.47060 32.08115 12.79627 
13.97380       22.47014 
1 1 1 -14 31 6  f 35.09723 12.53394 11.60830       11.30770  6.311265       
22.53432  13.39099       13.07272  39.70965 16.62557 37.57065 13.47038 
2.139000       21.39768 
1 1 1 -14 31 7  o 58.67649 11.15711 37.46004       12.82617  18.10293       
25.80096  43.81396       14.78211  47.11766 18.47695 63.31974 11.91744 
-16.20208      21.98688 
1 1 1 -14 31 8  f 76.63067 6.907915 61.07240       10.64895  50.52464       
13.89489  76.08624       16.57757  68.68444 10.26297 84.71955 9.803566 
-16.03511      14.19290 
1 1 1 -14 31 9  o 88.28702 6.344688 80.65563       11.31495  80.84271       
15.10137  80.41618       17.08515  87.76916 8.570388 87.12000 9.814816 
0.6491547      13.03005 
1 1 1 -14 31 10 o 64.68723 11.06574 45.28595       14.03309  44.25444       
16.46772  48.02146       26.81730  63.19334 13.23867 64.22742 19.11482 
-1.034088      23.25164 
1 1 1 -14 31 11 o 112.1295 6.305055 129.8606       14.31838  133.1133       
20.45537  126.7357       20.04924  112.6320 9.006207 109.8664 9.054550 
2.765526       12.77093 
1 1 1 -14 31 12 o 26.92918 11.49568 0.5355098      11.12718  5.069563       
14.89968  -5.181991      16.73158  33.28529 13.68852 30.01243 13.41073 
3.272856       19.16307 
1 1 1 -14 31 13 o 119.1306 6.017324 146.3821       14.53015  158.4183       
20.10926  133.2330       21.01834  123.2593 8.067286 112.5394 9.266582 
10.71990       12.28620 
1 1 1 -14 31 14 o 61.77086 10.86464 41.39488       13.14917  42.15741       
18.36476  40.59275       18.83564  60.98563 14.92880 59.71177 15.40867 
1.273853       21.45452 
1 1 1 -14 31 15 o 147.8347 5.775540 224.8895       17.36283  210.4760       
24.10569  240.4294       25.02986  141.8554 8.393810 151.7682 8.139784 
-9.912796      11.69240 
1 1 1 -14 31 16 o 209.9101 5.211259 452.8098       22.24475  414.8512       
31.03393  492.9208       31.90166  199.7056 7.641792 217.9643 7.197413 
-18.25874      10.49761 
1 1 1 -14 31 17 o 65.80461 13.60755 49.07452       17.60784  36.07137       
21.26311  77.44826       31.40948  55.44437 17.12992 79.36996 19.58138 
-23.92558      26.01662 
1 1 1 -14 31 18 o 147.3962 6.460745 225.7127       19.36513  248.1039       
28.08102  205.4077       26.74094  152.7189 9.083052 138.5928 9.546441 
14.12613       13.17712 
1 1 1 -14 31 19 o 66.70580 12.61753 50.96451       16.48855  56.72228       
24.18780  45.96614       22.53635  67.22099 17.51738 60.54384 17.38806 
6.677151       24.68204 
1 1 1 -14 31 20 o 60.04515 15.65318 45.15652       19.30894  49.29492       
24.61997  38.54321       31.12299  60.73137 18.36977 53.75280 20.49960 
6.978561       27.52602 
1 1 1 -14 31 21 o 26.36304 12.29572 -9.605928      16.17952  -8.196187      
22.90336  -11.01025      22.85928  31.88642 14.78963 31.06810 14.53149 
0.8183231      20.73397 
1 1 1 -14 32 1  o 35.02071 12.24062 12.12327       10.73743  26.79052       
27.23897  9.424845       11.68347  51.32915 19.26806 33.38537 12.60102 
17.94378       23.02268 
1 1 1 -14 32 2  f 118.1789 5.224968 143.4840       12.55669  125.2501       
29.21715  147.6149       13.90648  106.4884 13.81797 119.7479 5.710813 
-13.25956      14.95158 
1 1 1 -14 32 3  o 103.0273 6.569132 110.0727       13.69122  116.3475       
30.93225  108.5439       15.26829  101.7341 15.43649 102.0369 7.408905 
-0.3027878     17.12242 
1 1 1 -14 32 4  o 64.27289 10.74159 44.77000       13.54391  0.000000       
0.000000  44.77000       13.54391  ?        ?        64.27289 10.74159 
0.000000       10.74159 
1 1 1 -14 32 5  o 141.9723 6.368792 207.8699       18.38705  0.000000       
0.000000  207.8699       18.38705  ?        ?        141.9723 6.368792 
0.000000       6.368792 
1 1 1 -14 32 6  o 65.97008 7.945371 45.81988       10.44451  58.01148       
15.46239  35.58926       14.16437  73.43242 10.66669 56.61261 12.62511 
16.81981       16.52791 
1 1 1 -14 32 7  o 64.08031 8.452549 43.44865       10.74566  60.47969       
15.84045  28.93002       14.62547  75.01424 10.68628 50.83474 13.79576 
24.17950       17.45049 
1 1 1 -14 32 8  o 102.7793 8.127626 110.4516       16.84858  0.000000       
0.000000  110.4516       16.84858  ?        ?        102.7793 8.127626 
0.000000       8.127626 
1 1 1 -14 32 9  o 141.0337 5.151869 204.0629       14.77540  195.5024       
21.90284  211.2116       20.01560  137.0088 7.894836 142.9822 6.883912 
-5.973343      10.47457 
1 1 1 -14 32 10 o 46.26585 13.82837 23.61553       14.01288  24.08201       
16.46863  22.39184       26.67317  47.03192 15.14891 49.41222 18.94586 
-2.380302      24.25768 
1 1 1 -14 32 11 o 167.5194 4.736214 287.5307       16.13421  300.4217       
22.20735  273.1195       23.48026  170.6962 6.397663 162.4922 7.105899 
8.204010       9.561584 
1 1 1 -14 32 12 f 94.62469 6.778546 92.93948       12.95704  98.46772       
17.93195  86.89986       18.74299  96.58695 9.242570 90.24186 10.40419 
6.345093       13.91662 
1 1 1 -14 32 13 o 194.7011 4.786368 388.5772       18.95073  378.0934       
26.43921  399.6541       27.17676  191.2734 6.797394 196.6521 6.795911 
-5.378754      9.611918 
1 1 1 -14 32 14 o 52.81314 12.39219 31.06969       13.07976  42.46582       
18.82927  20.44265       18.18281  60.92577 15.23715 44.76024 15.90358 
16.16552       22.02486 
1 1 1 -14 32 15 o 42.13892 13.76385 19.11577       13.56775  41.23556       
19.32984  -2.365080      19.04863  59.71956 15.70693 33.01717 14.55486 
26.70239       21.41381 
1 1 1 -14 32 16 f 88.39720 9.098821 83.11798       16.12230  108.3601       
24.06573  62.56500       21.71568  99.45148 12.15252 73.82885 14.97638 
25.62263       19.28667 
1 1 1 -14 32 17 o 108.0303 8.810082 124.0215       19.18575  104.2418       
23.62359  162.3450       32.88282  97.06320 12.24071 120.2462 13.69178 
-23.18304      18.36572 
1 1 1 -14 32 18 o 34.96506 13.96656 9.257077       14.99681  -2.024122      
21.30935  20.32761       21.10945  34.15759 15.20800 44.41975 16.89645 
-10.26217      22.73265 
1 1 1 -14 32 19 o 72.57047 11.53733 59.70195       16.45627  32.71660       
23.08852  87.56575       23.46131  51.09013 17.94426 86.37408 13.82343 
-35.28395      22.65135 
1 1 1 -14 32 20 o 56.06423 16.31212 40.97152       19.71832  79.04185       
25.21051  -19.01523      31.64579  78.66427 16.29578 34.63573 16.46927 
44.02854       23.16871 
1 1 1 -14 32 21 o 34.69320 14.79701 8.062325       18.40655  18.69501       
23.76135  -7.891412      29.10590  41.56633 17.20901 35.00310 16.38001 
6.563236       23.75826 
1 1 1 -14 33 1  o 139.8730 4.968341 201.0309       14.13177  217.8075       
34.40191  197.6253       15.49991  141.5916 12.06297 138.5188 5.502615 
3.072784       13.25874 
1 1 1 -14 33 2  o 116.6490 5.498891 140.0645       13.04390  137.9639       
32.74680  140.4607       14.22075  110.8378 14.90676 116.5238 6.022031 
-5.686081      16.07720 
1 1 1 -14 33 3  o 215.2000 4.960179 475.4682       21.70657  518.4830       
45.26210  462.6202       24.73680  221.4257 10.05206 211.9258 5.739954 
9.499939       11.57545 
1 1 1 -14 33 4  o 151.5028 4.707253 235.3805       14.50239  202.9798       
35.01197  242.0909       15.93353  136.5766 12.75394 153.5327 5.103401 
-16.95618      13.73709 
1 1 1 -14 33 5  o 77.13760 8.234344 62.69547       12.71694  0.000000       
0.000000  62.69547       12.71694  ?        ?        77.13760 8.234344 
0.000000       8.234344 
1 1 1 -14 33 6  o 244.5462 4.382803 612.4025       21.79537  654.6175       
34.80200  585.1609       27.95684  251.5795 6.802643 238.4276 5.766073 
13.15182       8.917598 
1 1 1 -14 33 7  o 174.4671 4.661772 311.9648       16.53926  335.5949       
25.11045  293.8578       21.98083  180.1260 6.855303 168.7352 6.406000 
11.39084       9.382538 
1 1 1 -14 33 8  o 23.78026 11.18768 -13.56229      13.88978  0.000000       
0.000000  -13.56229      13.88978  ?        ?        23.78026 11.18768 
0.000000       11.18768 
1 1 1 -14 33 9  o 139.1526 5.164372 198.7953       14.61370  219.0255       
22.31818  183.6117       19.33512  145.0675 7.591886 132.9556 7.177958 
12.11186       10.44796 
1 1 1 -14 33 10 o 94.40900 6.432753 92.39885       12.27625  91.40506       
16.46312  93.64352       18.42445  93.12963 8.797264 93.88442 9.794704 
-0.7547913     13.16541 
1 1 1 -14 33 11 o 177.2306 4.661915 321.9242       16.80175  341.3527       
23.47948  301.5341       24.05344  181.8859 6.348016 170.7104 6.928925 
11.17551       9.397197 
1 1 1 -14 33 12 o 50.45248 11.45913 28.13459       11.48883  20.92818       
15.27686  37.51622       17.43066  44.15762 14.61390 57.36855 14.83209 
-13.21093      20.82203 
1 1 1 -14 33 13 o 64.74226 9.895806 45.11880       12.61466  37.12600       
17.12404  54.60321       18.65357  57.03827 14.67794 69.82214 13.62677 
-12.78387      20.02825 
1 1 1 -14 33 14 o 77.41800 8.914603 63.66171       13.77814  71.06097       
19.54156  56.34713       19.42939  80.37265 12.35166 70.64664 14.01912 
9.726013       18.68420 
1 1 1 -14 33 15 o 104.5019 7.362319 114.2355       15.54551  141.5407       
22.31082  88.47066       21.67242  115.2924 9.603547 89.70375 12.19706 
25.58865       15.52406 
1 1 1 -14 33 16 o 78.45316 12.15849 68.38756       18.76966  23.85337       
34.87347  86.54955       22.27051  51.38269 21.01433 88.03593 12.81609 
-36.65324      24.61411 
1 1 1 -14 33 17 o 37.24788 15.05057 10.21239       17.63481  6.489819       
21.64045  17.57096       30.42578  37.87813 16.09711 46.68350 19.41239 
-8.805374      25.21820 
1 1 1 -14 33 18 f 97.06239 10.25538 103.5260       19.93551  118.6296       
24.92732  76.72253       33.20707  102.4373 12.20686 74.68829 20.99156 
27.74906       24.28277 
1 1 1 -14 33 19 o 115.1987 9.250281 145.2184       21.48701  139.0467       
26.41994  157.2760       36.92805  110.1434 11.98930 111.5998 16.79226 
-1.456406      20.63307 
1 1 1 -14 33 20 o 63.57809 13.89559 50.16855       17.46374  92.13128       
24.98889  10.10789       24.41598  85.71364 14.87608 38.53244 16.74246 
47.18119       22.39660 
1 1 1 -14 34 1  o 54.34538 9.996008 32.29427       10.63984  15.07112       
25.02529  36.09455       11.75521  44.17039 17.90052 57.35226 10.46486 
-13.18188      20.73504 
1 1 1 -14 34 2  o 47.39648 12.24629 25.24690       11.88763  34.76728       
28.55108  23.25034       13.07485  55.28215 19.89795 45.47448 13.29786 
9.807663       23.93243 
1 1 1 -14 34 3  o 90.04056 6.424976 84.28679       11.68694  114.5506       
31.00885  79.27618       12.61738  100.1432 15.74674 87.06657 7.190680 
13.07658       17.31085 
1 1 1 -14 34 4  o 42.57401 11.56686 20.10462       10.27457  24.19439       
27.41500  19.43630       11.08231  49.91428 19.19113 41.92621 12.23773 
7.988071       22.76096 
1 1 1 -14 34 5  o 60.85099 9.109437 39.67675       10.92558  39.57780       
28.46232  39.69384       11.83202  58.29878 19.95245 60.57866 9.950371 
-2.279877      22.29597 
1 1 1 -14 34 6  o 51.07583 9.034355 28.12062       9.040178  23.84701       
11.99493  33.73994       13.75440  46.20902 12.47414 54.90227 12.58825 
-8.693253      17.72197 
1 1 1 -14 34 7  o 88.43233 5.938257 80.96705       10.61682  70.67867       
14.19672  94.02204       15.99200  81.75318 8.671891 94.51052 8.408757 
-12.75734      12.07928 
1 1 1 -14 34 8  o 45.00280 10.74781 22.33101       9.700486  14.60599       
12.59128  33.61145       15.21538  38.07075 13.25814 54.50020 13.73413 
-16.42945      19.08939 
1 1 1 -14 34 9  o 171.2323 5.553522 301.7141       19.33774  268.1364       
39.96089  311.9816       22.09739  157.1723 12.60897 173.8455 6.250661 
-16.67325      14.07327 
1 1 1 -14 34 10 o 89.58104 6.412760 83.31104       11.60460  87.35255       
15.46862  78.10837       17.55062  91.06483 8.449389 85.34130 10.32291 
5.723534       13.33996 
1 1 1 -14 34 11 o 43.78165 13.52536 21.11349       13.25640  38.56821       
15.33580  -30.47817      26.36572  58.56500 13.19370 30.87803 14.77865 
27.68698       19.81117 
1 1 1 -14 34 12 o 87.97055 7.238927 80.87567       12.83487  73.18816       
16.90136  91.34847       19.72696  82.52029 10.29586 92.10910 10.73316 
-9.588806      14.87298 
1 1 1 -14 34 13 o 57.16305 11.25002 36.06250       12.61169  38.93439       
16.81246  32.36691       19.07163  58.31512 14.28934 52.97692 16.19930 
5.338200       21.60099 
1 1 1 -14 34 14 o 128.6684 6.918782 172.4811       18.03662  178.6308       
22.71078  161.9771       29.68147  130.0880 8.634117 121.6851 12.15762 
8.402855       14.91160 
1 1 1 -14 34 15 o 37.26077 14.42826 11.82191       15.58051  12.54710       
19.08832  10.37433       26.96880  39.68500 15.78709 42.88639 18.08392 
-3.201393      24.00542 
1 1 1 -14 34 16 o 54.43035 17.71936 36.04006       22.49359  20.79686       
35.83183  45.95380       28.89679  49.79305 20.91235 60.02971 20.10629 
-10.23667      29.01016 
1 1 1 -14 34 17 o 82.00742 10.20745 73.93243       16.65405  93.83827       
23.41071  53.53731       23.69667  90.47182 13.10649 65.03085 17.52367 
25.44097       21.88285 
1 1 1 -14 34 18 o 53.77219 14.27194 35.32450       15.86554  14.65605       
22.32498  56.41403       22.55125  40.76299 16.75879 66.36968 16.71764 
-25.60669      23.67143 
1 1 1 -14 34 19 o 91.99577 10.88392 96.55903       19.96662  108.3346       
25.47723  77.81263       32.14545  94.76746 13.61098 71.95396 20.79641 
22.81350       24.85457 
1 1 1 -14 34 20 o 64.08880 13.44623 51.23922       16.96499  57.50008       
24.65384  45.60817       23.38097  62.77735 18.23235 55.81110 18.05799 
6.966244       25.66144 
1 1 1 -14 35 1  o 111.9267 10.08891 135.0491       22.71623  168.4262       
33.88662  107.8086       30.61337  122.1451 13.88972 95.70975 16.31410 
26.43531       21.42602 
1 1 1 -14 35 2  f 34.60530 12.12235 12.03825       10.53375  -4.847854      
28.03131  14.81492       11.36686  38.25740 17.20654 37.44747 12.61002 
0.8099327      21.33254 
1 1 1 -14 35 3  o 93.84074 6.169205 91.49802       11.70698  84.79791       
30.46303  92.65901       12.68076  83.76251 18.38833 94.27179 6.657534 
-10.50928      19.55642 
1 1 1 -14 35 4  o 128.8296 4.990677 170.6458       13.07454  183.0397       
34.50785  168.5683       14.12787  128.5532 13.39712 127.9123 5.431416 
0.6409073      14.45625 
1 1 1 -14 35 5  o 71.03885 7.793691 53.25225       11.07383  69.18059       
29.31272  50.60051       11.96015  75.31635 19.10843 68.91115 8.730652 
6.405205       21.00848 
1 1 1 -14 35 6  o 68.23696 9.571052 50.03898       12.91570  24.65689       
29.48227  56.06715       14.36779  50.68811 19.78594 72.09704 10.07515 
-21.40893      22.20342 
1 1 1 -14 35 7  o 106.4568 5.070957 116.4917       10.97779  124.6421       
15.16332  107.5145       15.91373  109.4307 6.848499 101.2562 7.788300 
8.174561       10.37109 
1 1 1 -14 35 8  o 69.35152 7.344973 50.53480       10.20087  74.13618       
13.72267  21.38600       15.25037  83.85808 8.150114 44.29037 14.59850 
39.56771       16.71947 
1 1 1 -14 35 9  o 117.0881 5.286460 141.0439       12.58720  144.2325       
16.99658  137.1710       18.73160  117.6379 7.138743 114.3059 8.111176 
3.331993       10.80522 
1 1 1 -14 35 10 o 92.74397 7.009717 89.76633       13.12257  77.38562       
15.76248  117.7253       23.68713  85.25557 9.239674 104.2552 11.35653 
-18.99967      14.64043 
1 1 1 -14 35 11 o 59.72242 13.30503 40.36657       15.74480  40.36657       
15.74480  0.000000       0.000000  59.72242 13.30503 ?        ?        
0.000000       13.30503 
1 1 1 -14 35 12 f 30.84384 12.62297 4.934801       12.59377  20.27461       
14.83756  -34.59293      23.81790  43.18689 14.40751 27.81712 13.49419 
15.36977       19.74005 
1 1 1 -14 35 13 o 67.20020 9.881218 48.92105       13.09988  59.29555       
17.76285  36.55005       19.39686  72.91908 12.42440 55.68570 16.17190 
17.23338       20.39353 
1 1 1 -14 35 14 o 82.37242 8.785986 72.45179       14.49005  86.40091       
20.56998  58.71215       20.41495  88.48644 11.71996 71.16920 14.59584 
17.31725       18.71887 
1 1 1 -14 35 15 o 28.60531 12.36807 0.5826452      13.19365  -1.941552      
18.31422  3.306072       19.02325  31.97167 14.17358 34.74149 14.93580 
-2.769821      20.59049 
1 1 1 -14 35 16 o 63.62295 14.38442 48.10333       18.17366  29.00493       
38.52698  53.56919       20.61085  52.36015 21.81464 66.48112 15.52671 
-14.12097      26.77606 
1 1 1 -14 35 17 o 88.02600 9.129097 84.50143       16.10382  102.1824       
23.81934  69.61562       21.85565  94.01649 12.79077 75.94412 14.68317 
18.07236       19.47304 
1 1 1 -14 35 18 o 163.5266 6.066625 281.0231       20.17377  293.2262       
29.03619  269.6354       28.04944  164.0196 8.736969 157.1790 8.811148 
6.840607       12.40850 
1 1 1 -14 35 19 o 123.6471 8.540672 168.2916       21.34309  183.7146       
27.43689  144.6568       33.96465  126.4340 10.77414 104.6185 16.51274 
21.81554       19.71681 
1 1 1 -14 36 1  o 36.94031 13.03927 14.18490       12.20376  9.345647       
29.24220  15.20549       13.42912  42.97800 18.49790 38.25145 13.65930 
4.726543       22.99454 
1 1 1 -14 36 2  o 46.95635 10.82880 24.70263       10.12894  55.96330       
29.18224  20.42070       10.80039  66.02661 20.00579 42.50709 11.98019 
23.51952       23.31859 
1 1 1 -14 36 3  o 35.59742 12.79674 12.51927       11.80528  -30.49513      
27.85776  21.93467       13.03343  31.53958 15.12051 44.03376 13.37604 
-12.49418      20.18782 
1 1 1 -14 36 4  o 50.15599 17.37510 28.58500       21.61146  78.70981       
30.27703  -23.48082      30.85768  79.89884 18.92584 35.19955 16.59500 
44.69930       25.17104 
1 1 1 -14 36 5  o 63.87554 20.38676 51.05192       29.87777  51.05192       
29.87777  0.000000       0.000000  63.87554 20.38676 ?        ?        
0.000000       20.38676 
1 1 1 -14 36 6  o 187.3422 4.881305 360.8614       18.59615  446.4182       
43.29930  341.5110       20.59199  204.1082 10.46725 181.9474 5.565457 
22.16077       11.85485 
1 1 1 -14 36 7  o 20.33610 9.333360 -5.680217      8.783787  2.887573       
10.76684  -22.73077      15.18878  27.75070 11.54442 22.39461 10.84276 
5.356092       15.83790 
1 1 1 -14 36 8  o 22.04814 9.908043 -3.668681      9.271951  6.255664       
12.34565  -16.50898      14.04270  31.46039 12.63466 22.86362 10.89936 
8.596771       16.68624 
1 1 1 -14 36 9  o 72.55591 7.458118 55.43848       10.84743  71.09315       
14.28497  34.11708       16.67114  81.76984 8.725578 54.28267 14.72797 
27.48718       17.11867 
1 1 1 -14 36 10 o 51.00813 14.14702 29.90693       15.18754  64.84499       
34.28371  21.37643       16.94048  70.96955 21.72237 44.47718 15.38464 
26.49237       26.61858 
1 1 1 -14 36 11 o 126.4646 6.474897 166.3318       16.59565  169.9714       
19.27113  155.8858       32.64784  127.3757 7.472651 117.8393 13.89119 
9.536392       15.77357 
1 1 1 -14 36 12 o 105.5456 6.575175 116.1705       14.04224  130.4492       
20.08417  102.5153       19.64071  110.6921 9.000424 97.50434 10.04965 
13.18780       13.49085 
1 1 1 -14 36 13 o 37.49691 13.40351 14.30667       12.93400  19.58629       
16.99519  7.040268       19.93814  42.89013 15.36087 37.21063 15.61224 
5.679497       21.90202 
1 1 1 -14 36 14 f 88.01539 8.203675 82.52078       14.51395  77.20901       
20.67454  87.68242       20.38026  82.59073 12.71798 88.85468 11.55247 
-6.263954      17.18158 
1 1 1 -14 36 15 o 69.10918 10.77674 53.21081       14.65115  28.74016       
20.10340  80.93130       21.39672  48.95041 16.76849 84.04189 12.93466 
-35.09148      21.17752 
1 1 1 -14 36 16 o 52.54550 15.73807 34.43409       18.13651  35.36372       
40.32176  34.19831       20.30664  53.45993 22.29863 51.97462 16.83023 
1.485317       27.93717 
1 1 1 -14 36 17 o 60.89806 13.88592 45.41791       16.81453  40.12084       
27.29305  48.65825       21.34666  53.56685 19.42918 60.75860 16.74124 
-7.191753      25.64687 
1 1 1 -14 36 18 o 41.70246 15.12171 21.50731       16.53111  6.712885       
27.12731  30.24676       20.84970  38.11864 17.05136 47.31752 17.00672 
-9.198883      24.08272 
1 1 1 -14 36 19 o 54.51855 15.62270 40.87204       18.21087  24.59673       
22.98574  68.31101       29.84543  43.07027 17.26017 64.45465 20.35502 
-21.38438      26.68783 
1 1 1 -14 37 1  o 89.09081 6.931032 83.76212       12.45806  62.23604       
31.69723  87.69487       13.54838  67.26183 20.93685 90.94569 7.389680 
-23.68387      22.20268 
1 1 1 -14 37 2  o 92.25201 6.045284 88.84047       11.27809  120.5837       
34.00886  84.91823       11.95457  99.16444 17.50492 89.96838 6.579845 
9.196053       18.70071 
1 1 1 -14 37 3  o 43.41920 10.71085 21.19496       9.398443  58.54185       
30.02053  17.13681       9.895901  66.89685 20.29594 39.10582 11.60546 
27.79103       23.37973 
1 1 1 -14 37 4  o 64.65567 7.442678 44.32521       9.607018  33.84352       
30.95264  45.44260       10.10613  54.03522 20.48245 65.36275 7.754569 
-11.32753      21.90124 
1 1 1 -14 37 5  o 118.7654 4.846486 145.2195       11.70491  120.1246       
34.00869  148.5916       12.46655  100.1442 17.32705 120.0543 5.106424 
-19.91009      18.06383 
1 1 1 -14 37 6  o 84.36116 6.612659 74.43439       11.25326  88.51241       
32.02554  72.45132       12.01974  84.39917 19.10478 83.01324 7.191309 
1.385933       20.41341 
1 1 1 -14 37 7  o 53.22234 11.78052 31.89564       12.41296  23.42769       
31.54146  33.44747       13.50253  49.97802 20.15152 54.25334 12.49640 
-4.275322      23.71168 
1 1 1 -14 37 8  o 142.4906 4.494368 208.5857       13.02286  220.6741       
17.67581  194.2330       19.26024  145.9957 5.953712 136.3550 6.969353 
9.640671       9.166164 
1 1 1 -14 37 9  o 125.5719 6.026061 163.3466       15.38783  174.4662       
17.46878  124.8380       32.50852  129.3508 6.663772 103.4436 15.96813 
25.90718       17.30280 
1 1 1 -14 37 10 o 45.04492 16.57901 21.35117       19.97733  8.003342       
32.71161  29.29065       25.22857  44.61943 19.38316 50.95225 18.64944 
-6.332821      26.89811 
1 1 1 -14 37 11 o 34.98993 13.70431 9.898457       14.18024  16.93006       
16.43158  -10.61749      28.06712  40.85253 15.03591 36.27679 16.66212 
4.575745       22.44337 
1 1 1 -14 37 12 o 59.27045 12.82796 40.31792       15.01272  34.04831       
17.46771  58.03891       29.36702  53.44635 15.29616 66.81057 20.03005 
-13.36422      25.20269 
1 1 1 -14 37 13 o 57.98196 14.38282 39.90078       16.87655  35.13257       
20.77648  49.14917       28.93524  53.51541 16.99201 61.20248 20.10550 
-7.687073      26.32412 
1 1 1 -14 37 14 o 40.69535 15.29494 17.19591       17.17385  6.613964       
21.47114  35.98965       28.61402  37.29918 15.94675 53.45310 19.81047 
-16.15393      25.43135 
1 1 1 -14 37 15 o 33.80294 14.43820 5.023941       17.57067  -16.71087      
22.52335  38.81580       28.08414  29.90163 14.12186 54.05648 19.69313 
-24.15485      24.23317 
1 1 1 -14 37 16 o 50.03272 15.38631 31.81266       17.17745  31.20955       
21.65459  32.83625       28.21065  48.99760 17.36131 49.92308 19.39137 
-0.9254799     26.02769 
1 1 1 -14 37 17 o 57.06539 15.45430 42.81163       18.37608  13.70296       
22.14134  107.2422       32.94115  38.89416 16.39228 86.76430 19.18007 
-47.87014      25.23058 
1 1 1 -14 37 18 o 61.09782 15.34753 50.20731       19.04337  50.80841       
23.45325  49.04413       32.62544  58.34573 17.98459 53.47773 20.83084 
4.867996       27.52035 
1 1 1 -14 38 1  o 96.40356 5.744698 97.23325       11.21079  115.7812       
33.04107  94.82014       11.91777  95.08344 17.74081 94.97421 6.204850 
0.1092300      18.79459 
1 1 1 -14 38 2  o 44.84626 10.36398 22.77413       9.261944  26.36243       
31.68260  22.43882       9.685026  49.25459 20.07383 44.34663 10.83258 
4.907959       22.81016 
1 1 1 -14 38 3  o 28.25089 10.62275 7.008278       8.285996  26.51964       
27.39719  5.043897       8.693108  48.82704 19.06957 26.90712 10.66962 
21.91992       21.85153 
1 1 1 -14 38 4  o 45.93520 9.031885 23.22842       8.136047  43.36548       
31.25394  21.76460       8.426577  57.83299 20.81824 44.22788 9.641274 
13.60511       22.94239 
1 1 1 -14 38 5  o 111.7457 4.560948 128.5608       10.36424  155.6998       
35.03325  125.9577       10.84991  115.2601 15.32687 110.5261 4.827359 
4.734001       16.06911 
1 1 1 -14 38 6  o 171.6039 4.118912 302.4088       14.37345  286.8490       
41.06540  304.5811       15.34405  160.1499 12.71408 172.1060 4.384222 
-11.95612      13.44876 
1 1 1 -14 38 7  o 45.78418 12.32808 23.99817       11.73332  -18.75614      
30.59680  31.36958       12.70461  35.65522 16.71987 52.41554 12.15537 
-16.76032      20.67141 
1 1 1 -14 38 8  o 111.0833 4.901837 127.2139       11.07284  127.6770       
14.69518  126.6056       16.84220  110.5023 6.569194 109.5246 7.609214 
0.9777756      10.05258 
1 1 1 -14 38 9  o 109.0817 5.707948 123.6133       12.61744  137.3199       
17.60665  109.1428       18.09070  114.0479 7.635787 100.9464 8.904010 
13.10155       11.72973 
1 1 1 -14 38 10 o 28.20922 11.60078 4.064484       10.70110  7.113669       
14.60548  0.5305767      15.72358  33.37920 13.61952 30.79950 13.40911 
2.579702       19.11271 
1 1 1 -14 38 11 o 52.96573 11.84680 32.05184       12.44035  43.77752       
18.15164  21.66552       17.08353  60.48492 14.86368 43.92752 15.43497 
16.55740       21.42819 
1 1 1 -14 38 12 o 71.30485 10.68261 56.54099       15.01295  61.04530       
17.80555  45.46371       27.92273  73.09698 12.42315 58.75593 19.76409 
14.34105       23.34425 
1 1 1 -14 38 13 o 36.58740 13.31301 13.92233       12.82910  4.927553       
17.57470  24.18272       18.77045  33.92699 14.46421 45.45018 16.15748 
-11.52320      21.68588 
1 1 1 -14 38 14 o 33.48446 13.29192 9.405531       13.50457  22.31922       
18.66964  -4.766352      19.55801  43.80939 16.04185 31.15111 14.15529 
12.65829       21.39423 
1 1 1 -14 38 15 o 53.03041 12.98387 34.00484       13.88934  57.51125       
19.62248  10.40229       19.66257  68.11776 14.60436 37.01987 15.51663 
31.09789       21.30852 
1 1 1 -14 38 16 o 84.08054 9.173019 78.83101       15.42961  125.7192       
23.25717  41.96858       20.62136  104.3015 11.13737 55.24392 16.83482 
49.05755       20.18545 
1 1 1 -14 38 17 o 53.38173 13.91929 36.93532       15.26589  31.43861       
22.28451  41.79581       20.95522  46.85081 17.45902 53.77378 17.06397 
-6.922974      24.41304 
1 1 1 -14 38 18 o 35.86349 14.85095 13.70953       17.70080  10.67050       
22.35387  18.81842       28.98337  36.04251 15.83165 40.54245 17.90868 
-4.499947      23.90318 
1 1 1 -14 39 1  o 43.17683 10.51568 21.57697       9.147173  0.7269827      
27.77635  24.11316       9.687543  37.40409 16.94666 45.63055 10.63653 
-8.226463      20.00813 
1 1 1 -14 39 2  o 38.28960 10.54382 16.81600       8.470400  -50.24978      
31.03519  22.21383       8.804676  29.16377 14.40156 44.17886 10.02969 
-15.01509      17.54992 
1 1 1 -14 39 3  o 49.80393 7.916144 26.97745       7.749027  0.000000       
0.000000  26.97745       7.749027  ?        ?        49.80393 7.916144 
0.000000       7.916144 
1 1 1 -14 39 4  o 59.92055 19.36360 48.17100       26.89045  0.000000       
0.000000  48.17100       26.89045  ?        ?        59.92055 19.36360 
0.000000       19.36360 
1 1 1 -14 39 5  o 110.0588 14.09254 141.3659       30.81588  0.000000       
0.000000  141.3659       30.81588  ?        ?        110.0588 14.09254 
0.000000       14.09254 
1 1 1 -14 39 6  o 71.24723 18.67847 65.93284       27.39299  0.000000       
0.000000  65.93284       27.39299  ?        ?        71.24723 18.67847 
0.000000       18.67847 
1 1 1 -14 39 7  o 25.12517 10.09964 3.867391       7.896434  -47.09086      
31.66887  7.245614       8.153976  30.59282 14.99608 28.36663 10.56291 
2.226196       18.34277 
1 1 1 -14 39 8  o 102.5188 6.882667 110.6733       14.26545  55.70055       
36.31873  120.7017       15.51216  62.94270 22.46452 106.9232 7.175858 
-43.98052      23.58278 
1 1 1 -14 39 9  o 42.86871 13.55060 21.26036       13.22435  41.82225       
33.37783  17.43163       14.40305  56.51963 21.30676 39.97688 14.15970 
16.54276       25.58271 
1 1 1 -14 39 10 o 124.3714 6.905148 162.9307       17.39537  170.6144       
40.10432  161.1501       19.30605  117.3897 17.32036 123.1382 7.749440 
-5.748489      18.97495 
1 1 1 -14 39 11 o 26.67432 12.21601 -6.758761      14.93680  -23.32026      
33.91494  -2.773278      16.63725  35.80550 17.03251 29.78588 13.33661 
6.019611       21.63265 
1 1 1 -14 39 12 o 62.08288 17.15643 49.89926       22.38031  66.79271       
32.51270  34.68602       30.85351  68.06233 21.20748 52.02838 20.25978 
16.03395       29.32944 
1 1 1 -14 39 13 o 55.68671 14.32528 38.23141       16.31493  -5.421190      
32.69659  52.70329       18.82607  38.45736 17.77851 65.51790 14.51256 
-27.06054      22.94972 
1 1 1 -14 39 14 o 44.74167 15.20852 24.99396       16.53572  54.77187       
33.92540  15.71516       18.93755  59.12410 21.62844 39.25468 15.68947 
19.86942       26.71982 
1 1 1 -14 39 15 f 51.13352 15.59269 34.80554       17.68627  12.69903       
35.38655  42.16660       20.41965  42.45119 19.19007 55.31311 16.72924 
-12.86192      25.45833 
1 1 1 -14 39 16 o 87.80474 10.86384 90.37163       18.98384  46.57183       
39.68465  103.3688       21.61775  51.19246 21.77788 93.03003 11.68490 
-41.83757      24.71463 
1 1 1 -14 39 17 o 58.65453 15.56818 48.35970       18.87805  50.13584       
37.57449  47.75997       21.83379  50.66299 21.35340 55.89711 17.37289 
-5.234119      27.52790 
1 1 1 -14 40 1  o 78.09886 6.217001 64.91747       9.791876  43.46995       
31.95296  67.14034       10.28680  52.78339 20.59985 79.30784 6.433869 
-26.52444      21.58121 
1 1 1 -14 40 2  o 79.46838 5.474051 66.34930       8.792203  43.75586       
31.69461  68.23287       9.151362  54.05272 20.66960 80.52194 5.624141 
-26.46922      21.42110 
1 1 1 -14 40 3  o 43.59590 16.61240 22.35654       20.42827  26.64213       
31.28442  19.17087       26.97262  47.54613 19.72051 43.63101 18.22158 
3.915115       26.85004 
1 1 1 -14 40 4  o 50.82859 16.69295 33.29157       19.94689  41.06320       
31.18210  27.90870       25.95113  54.23882 20.55857 47.74416 18.58366 
6.494663       27.71294 
1 1 1 -14 40 5  o 51.66492 16.90024 34.26409       20.45288  86.35843       
32.01456  -1.660187      26.58560  79.08752 19.91756 36.61834 16.58606 
42.46917       25.91923 
1 1 1 -14 40 6  o 50.01200 17.17749 31.61787       21.10083  25.20662       
32.01525  36.54185       28.05712  48.18240 19.96409 52.73189 19.60216 
-4.549484      27.97873 
1 1 1 -14 40 7  o 73.56287 15.25647 66.31245       22.07395  30.68225       
32.65753  96.28397       29.95219  50.56182 20.46346 86.73694 17.58330 
-36.17512      26.98009 
1 1 1 -14 40 8  o 102.7231 6.491257 111.1712       13.48991  117.2375       
35.94027  110.1764       14.55401  93.75934 19.48623 101.9352 7.064711 
-8.175850      20.72735 
1 1 1 -14 40 9  o 105.2927 5.192741 115.1075       11.11850  132.6791       
14.71811  91.75075       16.96886  112.2335 6.476304 91.61026 9.234678 
20.62321       11.27926 
1 1 1 -14 40 10 o 60.75106 8.776844 40.51112       10.52847  37.21560       
13.58654  45.46470       16.65737  56.34843 12.20974 61.46971 13.67837 
-5.121277      18.33509 
1 1 1 -14 40 11 o 27.70542 12.50961 -3.611363      14.98656  -17.93913      
32.60172  0.2274383      16.87520  35.52954 16.84229 30.87506 13.65038 
4.654478       21.67938 
1 1 1 -14 40 12 o 51.84062 13.94185 33.28561       15.01705  35.00526       
17.14017  27.60550       31.15114  52.39181 15.19826 47.74817 19.73101 
4.643646       24.90582 
1 1 1 -14 40 13 o 41.46478 13.49385 20.97091       13.04514  18.58255       
17.37178  24.05928       19.75421  40.19696 15.31880 43.91877 16.42385 
-3.721809      22.45904 
1 1 1 -14 40 14 o 23.91906 11.09001 -6.824678      12.86028  -16.80589      
17.14266  6.023302       19.44931  24.74309 11.86195 34.07658 14.87250 
-9.333485      19.02359 
1 1 1 -14 40 15 o 46.45233 13.73113 28.16435       13.87430  67.95815       
20.15823  -7.654521      19.12496  72.59561 14.16351 28.53486 13.32859 
44.06075       19.44881 
1 1 1 -14 40 16 o 31.85929 13.21490 9.183471       14.04932  20.87042       
20.30892  -1.542464      19.45601  39.87650 16.13785 30.20697 13.87362 
9.669531       21.28163 
1 1 1 -14 40 17 o 39.54936 15.01950 21.85821       16.66306  50.17153       
22.07528  -15.63776      25.40405  55.75117 17.49190 29.29010 14.14287 
26.46106       22.49416 
1 1 1 -14 41 1  o 82.50569 5.661757 72.31256       9.441712  101.9370       
32.29013  69.54289       9.873218  81.06899 19.76536 80.65092 6.064415 
0.4180756      20.67478 
1 1 1 -14 41 2  o 31.07270 14.09901 -1.280087      19.31227  46.86543       
30.91409  -32.09529      24.73210  53.66346 20.43898 27.09155 13.27407 
26.57191       24.37115 
1 1 1 -14 41 3  o 88.79726 11.93646 93.02174       21.00803  93.36414       
31.05274  92.73277       28.52734  80.43908 19.24222 82.41029 17.55995 
-1.971207      26.05024 
1 1 1 -14 41 4  o 48.38580 17.38223 31.39355       21.77808  73.27408       
32.38530  -3.180023      29.42483  68.67944 21.12756 36.63483 16.91122 
32.04461       27.06221 
1 1 1 -14 41 5  o 71.59579 15.61062 65.46268       22.08713  83.00623       
32.70974  50.75958       29.94490  74.61584 20.78543 58.11300 20.43429 
16.50283       29.14780 
1 1 1 -14 41 6  o 33.58153 15.04073 0.1878304      21.17791  -16.63905      
30.89124  15.10963       29.09003  34.57067 16.38971 42.55246 18.38175 
-7.981792      24.62745 
1 1 1 -14 41 7  o 58.94163 17.49940 46.96638       22.49624  71.40981       
33.16034  26.12430       30.62024  68.42919 21.43338 47.14775 19.52894 
21.28144       28.99602 
1 1 1 -14 41 8  o 40.10883 16.48635 15.20876       21.59933  -6.785113      
33.18343  31.37749       28.45171  37.95442 17.67076 49.09538 19.35492 
-11.14096      26.20818 
1 1 1 -14 41 9  o 52.02321 7.924736 29.63968       8.118785  34.24698       
10.30364  22.09468       13.18551  55.17975 9.526839 42.68642 13.53471 
12.49333       16.55140 
1 1 1 -14 41 10 o 85.18232 6.351055 76.97817       10.92230  70.21358       
14.58866  85.60611       16.47587  79.56997 9.184730 87.78898 9.373987 
-8.219009      13.12368 
1 1 1 -14 41 11 o 40.29846 12.32188 19.51811       11.03457  10.35075       
14.84132  30.85004       16.50071  34.18316 13.80893 48.84218 15.09014 
-14.65902      20.45480 
1 1 1 -14 41 12 o 28.91639 12.00776 5.405493       11.61861  2.864802       
15.74530  8.442739       17.21531  30.55765 13.35791 34.12156 14.42146 
-3.563913      19.65737 
1 1 1 -14 41 13 o 30.83641 12.50406 8.130383       12.21859  6.232981       
16.46027  10.45902       18.23511  32.26997 13.88374 35.19170 14.85639 
-2.921730      20.33398 
1 1 1 -14 41 14 o 88.50766 8.106177 87.04974       14.42770  99.32909       
20.82098  75.70741       20.01082  90.87243 11.52640 77.48810 13.17063 
13.38433       17.50209 
1 1 1 -14 41 15 o 35.09112 13.51126 14.77562       13.60270  -9.524152      
19.29430  38.78944       19.18044  27.54985 13.02931 50.83973 16.34585 
-23.28988      20.90334 
1 1 1 -14 41 16 o 30.88066 12.98766 8.661010       13.85205  16.76189       
19.95417  1.126013       19.24461  36.78594 15.53578 30.31561 13.87719 
6.470333       20.83115 
1 1 1 -14 42 1  o 35.72306 9.320280 15.19685       6.841934  30.51445       
29.70562  14.33874       7.030970  43.59011 18.69981 34.57424 9.638640 
9.015869       21.03774 
1 1 1 -14 42 2  o 45.38415 16.91746 30.41701       20.92650  58.87190       
31.80548  8.695621       27.78864  56.43533 20.89194 37.17310 16.88448 
19.26224       26.86185 
1 1 1 -14 42 3  o 37.68110 15.87972 14.42615       20.77554  1.383789       
30.02038  26.41375       28.78091  36.57369 16.95259 44.09502 18.64231 
-7.521332      25.19774 
1 1 1 -14 42 4  o 39.39516 16.16116 17.25032       20.70488  0.8817624      
30.06847  32.01001       28.55254  36.91856 17.06077 47.00328 19.09505 
-10.08472      25.60646 
1 1 1 -14 42 5  o 42.06276 16.36700 21.98408       20.12445  9.873569       
31.13242  30.67671       26.37590  40.08620 18.07138 46.88365 18.58697 
-6.797443      25.92393 
1 1 1 -14 42 6  f 47.41824 17.39373 30.90422       21.96263  11.63683       
32.51927  47.06320       29.78080  41.24131 18.54219 54.69825 20.22256 
-13.45694      27.43656 
1 1 1 -14 42 7  f 51.05801 17.34491 36.51109       21.50752  35.31966       
30.18270  37.74013       30.65526  49.35676 19.77888 50.38155 20.01776 
-1.024784      28.14098 
1 1 1 -14 42 8  f 59.93755 17.68897 50.98946       23.04149  87.67947       
36.70749  27.13346       29.59917  72.10682 22.54496 45.94070 19.12881 
26.16611       29.56665 
1 1 1 -14 42 9  o 54.16864 10.82068 34.44674       11.50230  51.61608       
35.67879  32.45533       12.15106  55.26252 21.70980 51.91036 11.78074 
3.352161       24.70022 
1 1 1 -14 42 10 o 57.98532 8.519751 37.56296       9.746525  53.33664       
12.68191  14.80317       15.23359  68.69330 9.319182 36.66806 14.24771 
32.02524       17.02482 
1 1 1 -14 42 11 o 76.22601 7.393816 63.40794       11.31688  64.43011       
15.53679  62.25269       16.51714  74.33781 10.57601 72.10400 11.66305 
2.233810       15.74416 
1 1 1 -14 42 12 o 67.02100 8.969543 51.00151       11.91796  78.88247       
16.73277  22.29392       16.97900  82.33247 10.21346 41.13360 15.25716 
41.19887       18.36017 
1 1 1 -14 42 13 o 56.14114 11.53586 38.84520       12.72949  50.89492       
18.09525  27.04012       17.91061  61.14750 14.72770 43.59504 15.75042 
17.55246       21.56341 
1 1 1 -14 42 14 o 59.52743 11.50175 44.11991       13.41908  59.41089       
19.50618  30.38137       18.48949  65.16738 15.02663 44.90030 16.02818 
20.26708       21.97049 
1 1 1 -14 42 15 o 40.89986 13.39653 23.18844       12.84991  25.19142       
18.75012  21.41457       17.64520  40.78801 15.81850 38.69647 15.24645 
2.091537       21.96996 
1 1 1 -14 43 1  o 26.44066 12.54298 -8.019476      18.14642  -37.45744      
28.06843  13.12068       23.78583  26.44542 13.16784 35.32191 15.87158 
-8.876493      20.62278 
1 1 1 -14 43 2  o 28.16504 13.25531 -6.284438      19.53042  18.57128       
29.05293  -26.77767      26.38044  38.78756 17.47432 27.60981 13.56461 
11.17774       22.12127 
1 1 1 -14 43 3  o 69.65740 15.92718 69.37257       22.06995  96.22478       
34.03375  49.88660       28.99217  72.06696 21.55316 51.93672 19.79055 
20.13023       29.26098 
1 1 1 -14 43 4  o 30.20140 13.99715 -3.441369      20.45609  -0.4825078     
29.43186  -6.206415      28.45160  35.07473 16.43196 33.36779 15.79328 
1.706944       22.79116 
1 1 1 -14 43 5  o 31.07651 14.23596 -1.128392      20.30392  4.813473       
30.86218  -5.662670      26.95996  37.23307 17.23364 33.16157 15.59658 
4.071499       23.24331 
1 1 1 -14 43 6  o 34.88060 15.16698 9.026814       20.06666  13.70160       
30.81138  5.583425       26.44378  39.88288 17.97900 36.18348 16.44880 
3.699406       24.36816 
1 1 1 -14 43 7  o 74.01959 15.83490 74.61835       23.11411  83.55942       
34.17855  67.08279       31.37739  68.62761 21.79431 61.99710 20.95060 
6.630508       30.23110 
1 1 1 -14 43 8  o 73.20075 15.65440 72.66034       22.59715  84.71208       
34.81551  63.88758       29.70407  68.61148 22.01847 61.33988 20.38150 
7.271599       30.00364 
1 1 1 -14 43 9  o 87.90885 14.02314 99.43385       24.22620  100.5303       
37.06792  98.61630       32.00830  74.28864 22.55589 78.82578 19.95075 
-4.537140      30.11314 
1 1 1 -14 43 10 o 31.59755 10.52557 11.65801       7.920179  16.96072       
9.743345  1.328873       13.59851  37.05178 11.62018 27.59337 12.22387 
9.458405       16.86569 
1 1 1 -14 43 11 o 37.57745 11.77949 17.72727       10.01366  24.60368       
13.38792  8.995063       15.08669  42.85361 13.64357 32.16779 13.54287 
10.68583       19.22384 
1 1 1 -14 43 12 o 32.75976 13.46177 11.10528       14.39604  20.78015       
32.79276  8.795603       16.02254  40.48841 18.37165 32.17823 13.76695 
8.310181       22.95749 
1 1 1 -14 43 13 o 73.60912 11.16022 67.06565       16.18150  58.02935       
18.55022  95.82549       33.09383  64.46269 14.50208 70.59543 21.28527 
-6.132736      25.75603 
1 1 1 -14 43 14 o 47.22550 12.88591 30.59198       12.71936  29.88988       
18.91929  31.17104       17.18175  43.01469 16.07553 44.61199 15.49026 
-1.597298      22.32422 
1 1 1 -14 43 15 o 52.66919 12.68456 38.03115       13.42376  87.66935       
19.94665  -3.061424      18.14862  81.12757 12.49146 27.49673 12.88865 
53.63084       17.94865 
1 1 1 -14 44 1  o 33.91446 14.72129 15.21542       18.83940  16.57873       
31.02626  14.41920       23.71100  35.66676 16.76090 34.28069 15.58067 
1.386070       22.88416 
1 1 1 -14 44 2  o 38.64968 15.93923 23.80443       20.27249  16.01899       
31.20342  29.49081       26.66727  36.51442 17.04544 40.38957 17.52328 
-3.875153      24.44612 
1 1 1 -14 44 3  o 41.40377 16.41412 27.81472       20.56915  -1.599076      
31.84590  48.86915       26.94324  33.63585 16.13638 49.69590 19.04463 
-16.06006      24.96158 
1 1 1 -14 44 4  o 53.40826 17.28999 47.14227       21.43229  31.32788       
32.07649  59.89641       28.80622  42.37274 18.77242 55.15101 19.96713 
-12.77827      27.40602 
1 1 1 -14 44 5  o 73.62366 15.05010 75.97071       21.77187  84.02886       
32.96202  69.73429       28.99770  65.04587 21.46333 61.22387 20.12789 
3.822002       29.42459 
1 1 1 -14 44 6  f 35.31330 15.31369 12.53902       20.34688  24.56011       
30.74850  3.175117       27.13816  41.23567 18.31876 34.42211 16.01087 
6.813564       24.32951 
1 1 1 -14 44 7  o 32.14680 14.58124 3.688630       20.63267  4.257243       
32.19641  3.292392       26.87678  36.29171 17.06083 34.46727 15.99891 
1.824448       23.38882 
1 1 1 -14 44 8  f 57.19932 17.32003 51.62235       21.87794  35.17508       
33.67542  63.63413       28.77860  44.67744 19.53261 58.77871 20.06326 
-14.10126      28.00103 
1 1 1 -14 44 9  o 44.60888 17.32164 32.05360       22.50432  -10.61331      
33.58501  66.82127       30.31711  33.59784 16.23215 58.90103 20.56931 
-25.30319      26.20265 
1 1 1 -14 44 10 o 69.24606 5.518997 51.45081       7.706995  53.86964       
9.734104  47.38710       12.61699  69.82394 6.947783 62.67996 10.25324 
7.143974       12.38550 
1 1 1 -14 44 11 o 35.81166 11.42408 16.44958       9.382869  11.86143       
12.53880  22.28817       14.14461  32.12717 12.79055 39.69472 14.03506 
-7.567551      18.98897 
1 1 1 -14 44 12 o 23.08729 10.89063 -7.316281      13.32315  35.31669       
34.49585  -14.79079      14.44393  42.32812 19.05782 21.83404 10.57189 
20.49408       21.79370 
1 1 1 -14 44 13 o 38.06810 14.46168 21.66108       15.45151  49.49890       
17.90119  -59.68513      30.60080  56.95779 15.18014 24.78130 12.52614 
32.17649       19.68098 
1 1 1 -14 44 14 o 53.70794 12.18243 39.18729       12.99947  51.35514       
18.88924  28.23940       17.91730  56.25551 15.83946 40.93295 15.56743 
15.32257       22.20886 
1 1 1 -14 45 1  f 21.23895 10.55037 -24.71416      17.59111  -13.24277      
28.61293  -31.68474      22.30431  28.19724 13.90625 22.93321 11.46838 
5.264032       18.02520 
1 1 1 -14 45 2  o 26.75221 12.69811 -3.786582      18.65068  3.482602       
30.15480  -8.290112      23.73505  32.02407 15.44935 27.90928 13.52283 
4.114786       20.53167 
1 1 1 -14 45 3  o 53.74604 16.98777 51.61838       20.78432  42.30339       
32.39306  58.13680       27.09767  42.16389 18.76322 51.18600 19.21729 
-9.022106      26.85820 
1 1 1 -14 45 4  o 27.64497 13.10487 -4.920466      19.73918  51.29047       
31.71432  -40.46590      25.21952  46.37639 19.58600 24.11921 12.08106 
22.25718       23.01224 
1 1 1 -14 45 5  o 27.41258 13.01408 -6.379251      19.60900  -33.74820      
31.19323  11.50289       25.21396  27.91635 13.89719 34.48090 15.82074 
-6.564548      21.05772 
1 1 1 -14 45 6  o 45.86953 17.05874 37.04147       21.25319  39.01762       
32.30513  35.53347       28.22037  43.26575 19.01759 42.84801 18.29963 
0.4177399      26.39214 
1 1 1 -14 45 7  o 23.99254 11.79707 -23.83383      20.08176  -9.741141      
33.09729  -32.04482      25.26348  32.32692 15.73356 25.65609 12.72731 
6.670822       20.23683 
1 1 1 -14 45 8  o 46.36596 17.64066 39.20739       23.01315  69.30630       
36.46868  19.29065       29.66564  52.28182 21.44817 37.72215 17.25361 
14.55968       27.52656 
1 1 1 -14 45 9  o 99.65260 12.79158 132.4001       25.32332  136.6338       
39.40267  129.4210       33.05336  79.01627 23.07866 86.28338 19.31903 
-7.267113      30.09733 
1 1 1 -14 45 10 o 21.86257 9.442089 1.795843       7.672106  39.79250       
35.32013  -0.8572649E-01 7.859769  42.44747 19.18171 20.83711 9.258996 
21.61036       21.29946 
1 1 1 -14 45 11 o 23.54666 9.923887 3.728101       8.114923  3.607370       
10.81262  3.883806       12.27925  25.49840 11.10995 26.59559 11.70667 
-1.097189      16.13930 
1 1 1 -14 45 12 o 65.47596 8.660804 50.99692       11.24862  71.39816       
16.20889  32.04342       15.62319  74.45950 11.03926 44.67013 14.77838 
29.78938       18.44630 
1 1 1 -14 45 13 f 23.58311 11.14978 -5.660000      14.10913  0.1014813      
15.94531  -26.44310      30.28455  26.65073 12.35380 27.55296 13.71253 
-0.9022312     18.45670 
1 1 1 -14 46 2  o 57.14243 16.25477 59.72236       19.78759  46.51690       
31.67740  68.17227       25.33955  39.75985 18.04701 53.81765 18.80447 
-14.05780      26.06343 
1 1 1 -14 46 3  o 33.10527 14.57707 16.75819       19.05337  3.449718       
30.46610  25.30702       24.41777  31.17014 15.15312 35.99678 16.13442 
-4.826639      22.13451 
1 1 1 -14 46 4  o 32.31324 14.41921 13.56711       19.27233  33.77721       
30.19833  -0.3205263     25.03299  38.44305 17.51525 29.70198 14.26438 
8.741070       22.58886 
1 1 1 -14 46 5  o 32.25686 14.50132 12.29375       19.88416  22.72188       
30.72658  4.780093       26.08176  36.10873 16.87574 31.41897 14.94315 
4.689754       22.54082 
1 1 1 -14 46 6  o 27.14039 12.85259 -3.283724      18.89181  -3.808990      
30.69466  -2.963410      23.96964  31.07901 15.13177 29.29306 14.03878 
1.785952       20.64117 
1 1 1 -14 46 7  o 44.05895 16.81426 37.18394       20.94755  4.660010       
32.90514  59.34641       27.16259  33.11635 16.01578 51.15962 19.23386 
-18.04327      25.02891 
1 1 1 -14 46 8  o 71.43899 16.59847 84.33753       23.65333  118.8721       
37.68036  61.87939       30.38611  67.15650 22.95731 49.63935 19.86193 
17.51715       30.35678 
1 1 1 -14 46 9  o 60.94923 17.92613 69.21413       23.69927  56.42871       
36.57028  78.47121       31.11774  44.13078 19.76524 56.25814 20.69378 
-12.12737      28.61638 
1 1 1 -14 46 10 o 26.71765 12.94422 -10.01281      21.73454  25.02669       
33.57801  -35.27996      28.51373  36.64671 17.28757 25.69691 12.86758 
10.94981       21.55074 
1 1 1 -14 46 11 o 37.40631 9.623235 17.92889       7.362140  24.97617       
9.791299  8.761985       11.16711  42.87011 11.13247 28.17611 11.74220 
14.69399       16.18058 
1 1 1 -14 47 4  o 30.24016 13.95771 11.13514       20.03572  -14.17014      
30.76033  29.78217       26.40524  27.69379 13.78868 35.72543 16.31627 
-8.031635      21.36232 
1 1 1 -14 47 5  o 69.15077 15.08442 78.69523       20.61486  103.0113       
33.43396  63.78067       26.18463  59.17229 21.49775 50.07521 18.87304 
9.097076       28.60673 
1 1 1 -14 47 6  o 43.47190 16.41504 39.12701       19.83177  42.47724       
31.26743  36.87213       25.65169  39.07082 17.80953 39.13847 17.08095 
-0.6765747E-01 24.67667 
1 1 1 -14 47 7  o 25.89276 12.52024 -7.187910      20.08837  -26.80007      
32.57265  4.850310       25.51946  27.26022 13.66539 30.24606 14.49287 
-2.985834      19.91950 
1 1 1 -14 47 8  o 53.42275 17.67086 59.28796       22.33771  43.58992       
34.14339  71.03500       29.53575  38.83924 18.02976 50.72766 19.80318 
-11.88841      26.78131 
1 1 1 -14 47 9  o 35.24670 15.56111 23.60645       21.85422  27.07116       
34.66536  21.32111       28.15383  35.18457 16.86775 34.18113 16.03177 
1.003441       23.27098 
1 1 1 -13 0  1  o 47.00783 23.04094 33.53381       26.14257  33.53381       
26.14257  33.53381       26.14257  47.00783 23.04094 47.00783 23.04094 
0.000000       0.000000 
1 1 1 -13 0  2  o 28.23388 18.39465 -2.267855      25.61333  -2.267855      
25.61333  -2.267855      25.61333  28.23388 18.39465 28.23388 18.39465 
0.000000       0.000000 
1 1 1 -13 0  3  o 469.1067 9.988773 2245.628       95.18983  2245.628       
95.18983  2245.628       95.18983  469.1067 9.988773 469.1067 9.988773 
0.000000       0.000000 
1 1 1 -13 0  4  f 39.69548 21.74701 22.59235       25.15992  22.59235       
25.15992  22.59235       25.15992  39.69548 21.74701 39.69548 21.74701 
0.000000       0.000000 
1 1 1 -13 0  5  o 413.2218 9.335260 1741.814       78.35386  1741.814       
78.35386  1741.814       78.35386  413.2218 9.335260 413.2218 9.335260 
-0.000000      0.000000 
1 1 1 -13 0  6  o 479.5928 7.144451 2342.542       69.64272  2342.542       
69.64272  2342.542       69.64272  479.5928 7.144451 479.5928 7.144451 
-0.000000      0.000000 
1 1 1 -13 0  7  o 418.7234 9.451898 1788.539       80.38920  1788.539       
80.38920  1788.539       80.38920  418.7234 9.451898 418.7234 9.451898 
0.000000       0.000000 
1 1 1 -13 0  8  o 53.62757 22.48375 41.56808       24.61845  41.56808       
24.61845  41.56808       24.61845  53.62757 22.48375 53.62757 22.48375 
0.000000       0.000000 
1 1 1 -13 0  9  f 81.27361 18.88029 77.47959       27.13989  77.47959       
27.13989  77.47959       27.13989  81.27361 18.88029 81.27361 18.88029 
0.000000       0.000000 
1 1 1 -13 0  10 o 68.53661 15.93877 55.05213       19.31885  55.05213       
19.31885  55.05213       19.31885  68.53661 15.93877 68.53661 15.93877 
0.000000       0.000000 
1 1 1 -13 0  11 o 169.2910 7.192007 293.3864       24.65751  293.3864       
24.65751  293.3864       24.65751  169.2910 7.192007 169.2910 7.192007 
0.000000       0.000000 
1 1 1 -13 0  12 o 34.94768 20.43715 14.99924       24.24539  14.99924       
24.24539  14.99924       24.24539  34.94768 20.43715 34.94768 20.43715 
-0.000000      0.000000 
1 1 1 -13 0  13 o 263.0402 6.369195 705.8153       34.02378  705.8153       
34.02378  705.8153       34.02378  263.0402 6.369195 263.0402 6.369195 
-0.000000      0.000000 
1 1 1 -13 0  14 o 101.9492 10.21478 109.2988       20.68941  109.2988       
20.68941  109.2988       20.68941  101.9492 10.21478 101.9492 10.21478 
-0.000000      0.000000 
1 1 1 -13 0  15 o 24.65132 15.90318 0.6519268E-01  18.51681  0.6519268E-01  
18.51681  0.6519268E-01  18.51681  24.65132 15.90318 24.65132 15.90318 
-0.000000      0.000000 
1 1 1 -13 0  16 o 299.9311 6.561161 918.4291       39.97460  918.4291       
39.97460  918.4291       39.97460  299.9311 6.561161 299.9311 6.561161 
-0.000000      0.000000 
1 1 1 -13 0  17 o 17.37585 12.30333 -22.59782      17.97088  -22.59782      
17.97088  -22.59782      17.97088  17.37585 12.30333 17.37585 12.30333 
-0.000000      0.000000 
1 1 1 -13 0  18 o 139.6325 8.490140 201.6107       23.90338  201.6107       
23.90338  201.6107       23.90338  139.6325 8.490140 139.6325 8.490140 
-0.000000      0.000000 
1 1 1 -13 0  19 o 23.69781 16.54793 -26.86543      29.20805  -26.86543      
29.20805  -26.86543      29.20805  23.69781 16.54793 23.69781 16.54793 
-0.000000      0.000000 
1 1 1 -13 0  20 o 83.15974 15.92926 79.23074       24.07574  79.23074       
24.07574  79.23074       24.07574  83.15974 15.92926 83.15974 15.92926 
0.000000       0.000000 
1 1 1 -13 0  21 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -13 0  22 o 121.5749 11.27555 156.9698       27.32499  156.9698       
27.32499  156.9698       27.32499  121.5749 11.27555 121.5749 11.27555 
-0.000000      0.000000 
1 1 1 -13 0  23 o 110.3276 12.80284 132.4269       27.71531  132.4269       
27.71531  132.4269       27.71531  110.3276 12.80284 110.3276 12.80284 
-0.000000      0.000000 
1 1 1 -13 0  24 o 201.3140 8.659976 422.7624       35.30288  422.7624       
35.30288  422.7624       35.30288  201.3140 8.659976 201.3140 8.659976 
0.000000       0.000000 
1 1 1 -13 0  25 o 27.44221 18.15156 0.3514743      26.42099  0.3514743      
26.42099  0.3514743      26.42099  27.44221 18.15156 27.44221 18.15156 
-0.000000      0.000000 
1 1 1 -13 0  26 o 33.64825 20.79634 19.51536       28.05992  19.51536       
28.05992  19.51536       28.05992  33.64825 20.79634 33.64825 20.79634 
-0.000000      0.000000 
1 1 1 -13 1  1  o 439.6710 4.802581 1968.182       42.93919  1945.107       
60.25058  1992.000       61.21119  436.7919 6.783210 442.0209 6.809834 
-5.229034      9.611753 
1 1 1 -13 1  2  o 182.6032 5.525009 339.5654       20.51600  332.5414       
35.63535  343.0477       25.09153  180.1427 9.764226 183.4675 6.725378 
-3.324753      11.85626 
1 1 1 -13 1  3  o 283.8182 6.164232 820.4767       35.57711  739.8281       
47.86020  920.0793       53.18769  269.2693 8.740498 300.2891 8.710040 
-31.01971      12.33941 
1 1 1 -13 1  4  o 283.6157 6.157431 819.1884       35.51250  819.1884       
35.51250  0.000000       0.000000  283.6157 6.157431 ?        ?        
0.000000       6.157431 
1 1 1 -13 1  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -13 1  6  o 300.9766 6.117227 922.4117       37.44024  922.4117       
37.44024  0.000000       0.000000  300.9766 6.117227 ?        ?        
0.000000       6.117227 
1 1 1 -13 1  7  o 236.6211 5.116965 569.8668       24.62166  572.9742       
29.59059  562.8737       44.39060  237.2122 6.134301 234.8884 9.293471 
2.323792       11.13545 
1 1 1 -13 1  8  o 317.6554 6.223715 1027.558       40.20290  1119.414       
59.20683  948.9709       54.76373  331.2949 8.788315 305.0280 8.828804 
26.26688       12.45722 
1 1 1 -13 1  9  o 123.2829 6.966369 155.3424       17.39318  195.7356       
30.93306  136.6671       21.03309  137.9475 11.12150 115.3885 9.035928 
22.55907       14.32954 
1 1 1 -13 1  10 o 350.2852 4.500546 1248.722       32.05815  1199.484       
44.45381  1302.077       46.27517  343.1511 6.370480 357.5257 6.364867 
-14.37460      9.005251 
1 1 1 -13 1  11 o 252.3000 4.462785 647.8753       22.89680  636.6110       
31.96710  659.7424       32.81132  249.9737 6.288650 254.4704 6.340668 
-4.496674      8.930352 
1 1 1 -13 1  12 o 151.3690 6.097946 233.4584       18.77033  222.9473       
31.15919  239.4453       23.51602  147.2559 10.47377 153.2119 7.547789 
-5.956024      12.91003 
1 1 1 -13 1  13 o 117.8295 7.053996 142.1226       16.82438  128.4848       
20.69528  168.7022       28.89182  111.7364 9.189496 127.8097 11.23020 
-16.07333      14.51083 
1 1 1 -13 1  14 o 185.3623 4.935463 349.9786       18.60376  345.5618       
26.20822  354.4645       26.41236  184.0222 7.003510 186.3810 6.968739 
-2.358719      9.879903 
1 1 1 -13 1  15 o 134.8551 5.876104 185.4409       16.11419  216.0852       
23.43914  157.9759       22.18994  145.1817 7.969722 123.9319 8.863346 
21.24983       11.91954 
1 1 1 -13 1  16 o 56.41347 12.16911 34.03694       13.55013  41.80343       
19.30752  26.49906       19.02124  62.23033 15.35211 50.88560 16.26919 
11.34473       22.36904 
1 1 1 -13 1  17 o 203.3916 4.923572 421.6684       20.36408  409.4256       
28.26966  434.8734       29.35956  200.1705 6.944949 206.2896 6.998757 
-6.119080      9.859762 
1 1 1 -13 1  18 o 88.37199 8.520139 80.78069       15.12163  88.08615       
21.39336  73.48635       21.37708  91.65025 11.74924 83.27284 13.05289 
8.377411       17.56197 
1 1 1 -13 1  19 o 118.7349 10.18020 146.2305       24.34255  144.4426       
34.37925  148.0282       34.47206  116.7380 14.81570 118.2503 14.64909 
-1.512329      20.83509 
1 1 1 -13 1  20 o 102.8516 8.447629 109.3288       17.51231  82.44084       
23.85610  140.7503       25.78897  87.92086 13.79727 116.1806 11.04866 
-28.25970      17.67590 
1 1 1 -13 1  21 o 32.04192 14.20252 -5.446046      18.38216  -36.70454      
22.63955  55.03284       31.49094  27.18232 13.17933 70.52713 20.64134 
-43.34481      24.48999 
1 1 1 -13 1  22 o 89.96221 10.00753 84.59421       17.99761  63.03279       
25.18882  107.0826       25.72457  75.66291 16.80790 100.5362 12.87877 
-24.87326      21.17471 
1 1 1 -13 1  23 o 45.19325 15.84536 19.75050       17.99943  36.64758       
25.74850  3.602378       25.17139  58.45570 18.95402 41.16301 17.42017 
17.29269       25.74329 
1 1 1 -13 1  24 o 63.06242 19.22647 44.85862       26.89210  44.85862       
26.89210  0.000000       0.000000  63.06242 19.22647 ?        ?        
0.000000       19.22647 
1 1 1 -13 1  25 o 32.13582 14.68448 -11.05692      21.42270  -11.90868      
25.69739  -9.116232      38.78895  35.33298 16.12113 44.58148 20.12788 
-9.248497      25.78803 
1 1 1 -13 1  26 o 38.85121 15.46650 11.30054       18.33305  3.189552       
26.66236  18.57442       25.24903  40.38807 17.52215 46.12912 18.21794 
-5.741058      25.27685 
1 1 1 -13 2  1  o 42.08166 13.38236 17.86077       12.88305  5.314095       
18.72135  29.14657       17.75574  37.65356 15.39795 52.72636 15.51877 
-15.07280      21.86159 
1 1 1 -13 2  2  o 27.14352 12.27371 -7.987076      14.48748  -12.97315      
26.54885  -5.872715      17.28844  37.13253 16.71877 31.08499 13.77618 
6.047543       21.66335 
1 1 1 -13 2  3  o 339.4570 4.423822 1172.704       30.53753  1159.785       
43.24851  1185.548       43.12493  337.4232 6.302962 341.1590 6.216130 
-3.735779      8.852548 
1 1 1 -13 2  4  o 322.3705 8.651361 1060.053       56.71410  0.000000       
0.000000  1060.053       56.71410  ?        ?        322.3705 8.651361 
0.000000       8.651361 
1 1 1 -13 2  5  o 181.9804 5.444824 337.1277       20.14929  323.0238       
24.72821  364.9931       34.75815  178.0716 6.828836 189.1519 9.036379 
-11.08037      11.32648 
1 1 1 -13 2  6  o 139.3025 6.241746 197.6100       17.68139  190.2129       
21.87084  211.5661       30.04124  136.3778 7.920359 143.5755 10.35888 
-7.197647      13.03988 
1 1 1 -13 2  7  o 277.0203 5.001031 781.0396       28.17232  741.8982       
33.83509  869.5121       50.86905  269.9206 6.164244 292.0109 8.566494 
-22.09030      10.55380 
1 1 1 -13 2  8  o 416.2581 4.732487 1763.352       40.05932  1643.924       
53.89320  1910.807       59.88408  401.7440 6.596798 433.1050 6.799339 
-31.36108      9.473582 
1 1 1 -13 2  9  o 252.3233 6.177929 648.3958       31.69944  644.9191       
44.50274  651.9766       45.16413  251.4454 8.703455 252.8098 8.785133 
-1.364426      12.36643 
1 1 1 -13 2  10 o 224.6581 6.336297 514.1220       28.94736  534.7229       
42.41450  496.1597       39.60523  228.8897 9.112480 220.5071 8.832395 
8.382584       12.69049 
1 1 1 -13 2  11 o 171.5595 6.702824 299.9449       23.38428  280.9360       
32.44379  320.4966       33.73471  165.5508 9.679305 176.8968 9.411757 
-11.34602      13.50075 
1 1 1 -13 2  12 o 48.84151 15.59395 24.09833       17.47973  26.63975       
24.40491  21.42125       25.04778  53.27052 18.46335 50.59542 18.57284 
2.675091       26.18866 
1 1 1 -13 2  13 o 154.6991 5.962326 243.8943       18.75664  242.8536       
23.04873  245.9349       32.27392  154.2764 7.346764 154.6514 10.32163 
-0.3750610     12.66929 
1 1 1 -13 2  14 o 233.9389 4.607976 557.3246       21.92119  559.7960       
30.88810  554.8167       31.11564  234.2770 6.483507 233.2241 6.560756 
1.052933       9.223848 
1 1 1 -13 2  15 o 269.5414 4.570922 740.0015       25.05420  732.9058       
35.15461  747.3258       35.71606  268.0136 6.450211 270.6316 6.489833 
-2.617981      9.150036 
1 1 1 -13 2  16 o 164.1483 5.275396 274.6814       17.60933  277.0825       
24.57453  272.1473       25.24575  164.6633 7.339001 163.1595 7.608944 
1.503799       10.57152 
1 1 1 -13 2  17 o 257.7092 4.717851 676.8318       24.72439  703.1873       
35.16302  651.0601       34.77140  262.3922 6.589977 252.4475 6.773291 
9.944656       9.450147 
1 1 1 -13 2  18 o 73.76715 10.06194 56.96091       14.70000  66.70265       
20.92746  47.47291       20.65312  79.14338 13.48675 66.13973 15.60744 
13.00365       20.62728 
1 1 1 -13 2  19 o 149.9705 8.765040 231.6633       26.61442  267.0711       
37.28871  194.8951       37.99826  160.3423 11.51274 136.1379 13.92152 
24.20442       18.06521 
1 1 1 -13 2  20 o 107.3152 7.920773 118.7425       17.16327  98.73164       
23.81649  140.3630       24.75580  96.77950 12.38575 116.1311 10.59961 
-19.35162      16.30210 
1 1 1 -13 2  21 f 193.5729 6.496805 383.3814       25.57383  395.0218       
31.62590  361.3897       43.47002  196.1904 7.927088 186.3585 11.52728 
9.831894       13.98988 
1 1 1 -13 2  22 o 107.4798 8.734493 119.6605       18.92530  133.6675       
27.28341  106.6708       26.27396  112.7316 12.09022 100.2303 13.21270 
12.50124       17.90947 
1 1 1 -13 2  23 f 86.66399 11.05643 79.32526       19.04124  97.84605       
26.83707  60.55024       27.02063  95.31914 14.28540 73.48699 18.18115 
21.83215       23.12200 
1 1 1 -13 2  24 o 259.9585 5.586020 692.4061       29.52962  624.7348       
40.63684  768.1217       42.98436  245.8816 8.127229 272.8422 7.747249 
-26.96056      11.22817 
1 1 1 -13 2  25 o 69.04325 16.25851 54.59043       22.44993  61.60224       
27.51766  40.63452       38.82178  72.41827 18.59097 61.41140 23.01257 
11.00687       29.58382 
1 1 1 -13 2  26 o 85.96056 11.60315 80.77104       19.76445  60.94933       
28.10523  100.1640       27.79959  70.57511 19.11224 93.79249 15.08685 
-23.21738      24.34935 
1 1 1 -13 3  1  o 177.7795 6.608172 322.1989       23.88991  0.000000       
0.000000  322.1989       23.88991  ?        ?        177.7795 6.608172 
0.000000       6.608172 
1 1 1 -13 3  2  o 140.1581 6.355679 200.1638       18.11472  213.6187       
31.17984  193.3084       22.25611  144.1187 10.71566 137.4208 7.998857 
6.697937       13.37188 
1 1 1 -13 3  3  o 344.2343 4.421428 1205.959       30.95053  1160.306       
43.06526  1254.730       44.51191  337.4973 6.274879 350.9653 6.236784 
-13.46802      8.847122 
1 1 1 -13 3  4  o 213.6884 4.490381 464.6922       19.51262  444.6318       
27.33727  485.5273       27.86017  208.9284 6.434373 218.3350 6.274933 
-9.406540      8.987544 
1 1 1 -13 3  5  o 143.2219 5.325498 208.8088       15.51033  205.7788       
21.93019  211.8415       21.93966  141.8879 7.628566 143.9794 7.519481 
-2.091492      10.71157 
1 1 1 -13 3  6  o 285.8107 4.326429 831.1982       25.14546  856.2290       
35.94239  807.2023       35.19159  289.9751 6.095297 281.5474 6.146614 
8.427734       8.656414 
1 1 1 -13 3  7  o 92.36150 7.255008 87.45303       13.51672  84.68169       
18.76681  90.44036       19.48444  90.47929 10.38811 93.53815 10.42061 
-3.058868      14.71401 
1 1 1 -13 3  8  o 266.6869 4.358774 723.7067       23.63836  637.9348       
31.98536  826.9329       35.08920  250.2801 6.284540 284.9696 6.055132 
-34.68945      8.726974 
1 1 1 -13 3  9  o 245.2149 4.362892 611.8867       21.75568  635.3465       
31.01471  589.1611       30.52548  249.7734 6.106188 240.5150 6.241210 
9.258316       8.731451 
1 1 1 -13 3  10 o 306.7503 5.113463 957.9023       31.89713  890.7448       
53.78494  994.3362       39.61560  295.4304 8.952702 312.4368 6.235232 
-17.00647      10.91004 
1 1 1 -13 3  11 o 377.2526 5.294155 1449.146       40.61443  1383.712       
68.22471  1485.065       50.54685  368.1166 9.113914 381.7583 6.511096 
-13.64175      11.20079 
1 1 1 -13 3  12 o 172.7487 4.949357 303.8552       17.38661  284.2469       
24.49329  323.7709       24.68459  166.9489 7.214599 178.2072 6.811600 
-11.25839      9.922113 
1 1 1 -13 3  13 o 56.84428 18.56690 32.49107       24.68922  0.000000       
0.000000  32.49107       24.68922  ?        ?        56.84428 18.56690 
0.000000       18.56690 
1 1 1 -13 3  14 o 50.61124 12.73448 27.38013       13.09535  32.40102       
18.83331  22.68036       18.22111  55.28784 15.90037 47.98771 15.96391 
7.300129       22.53149 
1 1 1 -13 3  15 o 65.48978 10.82184 45.17211       13.90867  60.61982       
19.72078  29.88303       19.61927  75.58118 13.31751 53.53194 16.44046 
22.04924       21.15762 
1 1 1 -13 3  16 o 89.90736 8.890990 83.59382       16.04235  83.12835       
19.57573  84.54568       27.99338  89.25587 11.01917 88.82619 16.08996 
0.4296799      19.50151 
1 1 1 -13 3  17 f 193.3929 5.689985 381.5631       22.37707  384.7748       
27.80383  375.6574       37.70234  194.0311 7.046637 191.0307 9.737720 
3.000305       12.01991 
1 1 1 -13 3  18 o 206.7388 5.833043 436.2710       24.52272  427.8450       
30.13412  452.7922       42.19579  204.5170 7.245655 209.8545 9.887795 
-5.337494      12.25839 
1 1 1 -13 3  19 o 198.1736 6.122773 401.2148       24.67433  403.7450       
30.64573  396.5514       41.60410  198.5450 7.590311 195.8557 10.48399 
2.689316       12.94322 
1 1 1 -13 3  20 o 91.31228 10.46354 87.14185       19.07872  101.6123       
24.31385  63.95514       30.77738  98.17722 12.45887 75.87124 19.75437 
22.30598       23.35506 
1 1 1 -13 3  21 o 143.7481 7.538209 212.4522       21.95864  203.6902       
27.15067  229.0218       37.33664  140.2662 9.575895 147.8606 12.53545 
-7.594467      15.77451 
1 1 1 -13 3  22 o 156.1544 7.411252 250.1518       23.53408  261.2544       
29.70077  231.4203       38.57811  158.9380 9.229173 148.3444 12.91739 
10.59354       15.87566 
1 1 1 -13 3  23 o 60.49054 22.01245 35.96231       35.07466  0.000000       
0.000000  35.96231       35.07466  ?        ?        60.49054 22.01245 
0.000000       22.01245 
1 1 1 -13 3  24 o 77.79099 14.41935 66.46757       21.97010  94.65404       
27.91427  20.58491       35.61478  92.79343 15.32827 53.34644 21.44712 
39.44699       26.36162 
1 1 1 -13 3  25 o 58.87756 19.42192 39.56865       26.99084  39.56865       
26.99084  0.000000       0.000000  58.87756 19.42192 ?        ?        
0.000000       19.42192 
1 1 1 -13 3  26 o 58.60344 22.04586 39.35390       35.69614  0.000000       
0.000000  39.35390       35.69614  ?        ?        58.60344 22.04586 
0.000000       22.04586 
1 1 1 -13 4  1  o 259.8405 5.949295 687.9807       31.43575  0.000000       
0.000000  687.9807       31.43575  ?        ?        259.8405 5.949295 
0.000000       5.949295 
1 1 1 -13 4  2  o 181.7599 6.917788 336.7744       25.56917  336.7744       
25.56917  0.000000       0.000000  181.7599 6.917788 ?        ?        
0.000000       6.917788 
1 1 1 -13 4  3  o 241.7685 5.025690 595.0482       24.70852  569.2548       
42.54615  608.1745       30.35130  236.1665 8.859120 244.3493 6.108220 
-8.182816      10.76078 
1 1 1 -13 4  4  o 124.4374 6.747516 158.2239       17.01060  190.7456       
31.25932  144.5416       20.27557  136.1043 11.39919 118.7437 8.451924 
17.36066       14.19072 
1 1 1 -13 4  5  o 259.7281 4.955686 686.6072       26.17424  611.5491       
44.07378  727.5021       32.53242  244.8439 8.851965 267.2877 5.985301 
-22.44380      10.68556 
1 1 1 -13 4  6  o 279.6356 4.293964 795.6721       24.41756  780.8879       
34.69449  810.1819       34.37107  276.9149 6.161164 282.0730 5.992114 
-5.158112      8.594497 
1 1 1 -13 4  7  o 255.2926 4.307299 663.1725       22.36118  672.3157       
32.12700  654.5807       31.14293  256.9456 6.148617 253.5408 6.040322 
3.404816       8.619222 
1 1 1 -13 4  8  o 440.5322 4.823935 1975.143       43.21460  1911.839       
60.05322  2043.130       62.23448  433.2054 6.816964 447.8309 6.833852 
-14.62549      9.652592 
1 1 1 -13 4  9  o 197.3312 4.545108 396.2850       18.23860  407.5257       
25.93106  385.2801       25.65767  200.0225 6.375144 194.4804 6.487687 
5.542099       9.095743 
1 1 1 -13 4  10 o 188.5883 5.576136 362.1537       21.38452  379.9741       
40.31585  355.1771       25.22556  192.5534 10.33386 186.7050 6.644057 
5.848389       12.28545 
1 1 1 -13 4  11 o 206.2471 6.521044 433.4766       27.34995  0.000000       
0.000000  433.4766       27.34995  ?        ?        206.2471 6.521044 
0.000000       6.521044 
1 1 1 -13 4  12 o 98.60709 7.153167 99.67938       14.24601  97.01430       
20.26980  102.2808       20.02620  96.81475 10.46206 99.50558 10.03389 
-2.690826      14.49599 
1 1 1 -13 4  13 f 237.4157 5.134534 574.1252       24.78917  569.7214       
30.65354  582.4484       42.14146  236.3905 6.376749 238.7398 8.680270 
-2.349380      10.77079 
1 1 1 -13 4  14 o 139.1933 5.547031 197.4571       15.70112  200.4930       
22.20191  194.4196       22.20755  139.8805 7.836699 137.7215 7.963520 
2.159042       11.17280 
1 1 1 -13 4  15 o 401.7788 4.813872 1644.592       39.33082  1646.905       
55.56355  1642.269       55.68099  401.6641 6.802609 401.0928 6.826697 
0.5713196      9.637390 
1 1 1 -13 4  16 o 358.3896 4.692340 1308.725       34.19765  1329.279       
48.65755  1288.661       48.07332  360.8141 6.631554 355.2536 6.654481 
5.560455       9.394660 
1 1 1 -13 4  17 o 107.9893 7.008273 119.6792       15.30698  127.7234       
21.76831  111.8114       21.52835  111.1134 9.732105 103.7862 10.33803 
7.327217       14.19820 
1 1 1 -13 4  18 o 95.01617 8.157638 93.16649       15.60923  104.7841       
22.99144  83.23311       21.25969  100.1261 11.50066 88.96117 12.06293 
11.16496       16.66672 
1 1 1 -13 4  19 o 105.9430 7.717890 115.5888       16.51298  141.4220       
23.87607  91.90205       22.86264  116.7415 10.15867 93.40308 12.33894 
23.33847       15.98274 
1 1 1 -13 4  20 o 251.3393 5.978901 645.5433       30.55858  661.5524       
51.39577  636.7889       38.00625  253.3056 9.977717 249.2716 7.497747 
4.034012       12.48083 
1 1 1 -13 4  21 o 51.17384 16.00635 27.59180       18.50087  15.43975       
23.13080  49.17101       30.82361  45.59328 17.60091 67.07583 20.60814 
-21.48255      27.10143 
1 1 1 -13 4  22 o 58.08926 15.24132 36.90441       18.22939  6.979380       
25.98976  65.88359       25.57573  43.31554 17.97083 77.36994 16.74181 
-34.05441      24.56092 
1 1 1 -13 4  23 o 31.60596 13.93895 -4.030771      17.48972  -6.045848      
25.29245  -2.184278      24.21134  37.60204 16.66365 38.14495 16.62236 
-0.5429039     23.53678 
1 1 1 -13 4  24 o 195.0856 6.288803 390.8326       24.94851  361.6311       
34.87341  421.4458       35.70638  186.6107 9.189807 201.6692 8.706725 
-15.05847      12.65937 
1 1 1 -13 4  25 o 75.47301 15.42963 64.47943       22.88173  68.45031       
27.92868  56.37199       39.90695  76.46072 18.22091 68.44234 23.61636 
8.018379       29.82841 
1 1 1 -13 4  26 o 40.34267 15.88977 13.21858       19.15973  -5.314132      
27.88668  29.78881       26.36887  38.23122 17.18150 52.12873 19.06834 
-13.89751      25.66721 
1 1 1 -13 5  1  o 350.3628 6.184124 1251.122       44.06031  0.000000       
0.000000  1251.122       44.06031  ?        ?        350.3628 6.184124 
0.000000       6.184124 
1 1 1 -13 5  2  o 207.6850 5.122325 439.2003       21.63334  460.5335       
37.11554  428.2236       26.62339  212.3895 8.593525 204.9907 6.386716 
7.398758       10.70695 
1 1 1 -13 5  3  o 330.2403 6.193839 1110.989       41.59502  1110.989       
41.59502  0.000000       0.000000  330.2403 6.193839 ?        ?        
0.000000       6.193839 
1 1 1 -13 5  4  o 147.3886 5.251349 221.1550       15.73933  241.3965       
22.88916  202.9994       21.67777  153.8949 7.313989 140.9092 7.593286 
12.98572       10.54289 
1 1 1 -13 5  5  o 203.3161 4.474695 420.6690       18.50063  420.1545       
26.34908  421.1693       25.98246  203.1010 6.379723 203.3515 6.283209 
-0.2504730     8.954305 
1 1 1 -13 5  6  o 99.43714 6.813582 101.2020       13.69458  82.11452       
19.70908  119.0198       19.04226  88.95137 11.14021 107.6649 8.773771 
-18.71352      14.18039 
1 1 1 -13 5  7  o 341.3558 5.096782 1186.065       35.37975  1115.302       
60.26605  1223.278       43.70332  330.6403 8.963251 346.5791 6.200984 
-15.93878      10.89918 
1 1 1 -13 5  8  o 654.6883 7.046902 4367.319       93.81758  4208.675       
158.2572  4453.282       116.4948  641.3491 12.13438 660.7393 8.670117 
-19.39020      14.91355 
1 1 1 -13 5  9  o 150.6713 5.943223 231.1930       18.20976  219.8667       
32.77457  236.2508       21.90132  146.2302 11.10464 152.2600 7.073478 
-6.029861      13.16614 
1 1 1 -13 5  10 o 412.5924 6.651398 1734.603       55.80661  0.000000       
0.000000  1734.603       55.80661  ?        ?        412.5924 6.651398 
0.000000       6.651398 
1 1 1 -13 5  11 o 249.0807 6.202084 632.1179       31.41443  0.000000       
0.000000  632.1179       31.41443  ?        ?        249.0807 6.202084 
0.000000       6.202084 
1 1 1 -13 5  12 o 217.3883 4.618488 481.1192       20.41679  475.3276       
28.92538  486.8696       28.82230  215.9323 6.587339 218.5470 6.485333 
-2.614700      9.244057 
1 1 1 -13 5  13 o 172.2386 5.026302 302.1568       17.60477  272.1418       
24.71262  333.0841       25.08538  163.2922 7.442210 180.7069 6.826443 
-17.41475      10.09885 
1 1 1 -13 5  14 o 254.1096 5.199502 657.9176       26.86794  667.7504       
33.31510  639.6240       45.44164  255.8635 6.402968 250.0422 8.936950 
5.821304       10.99396 
1 1 1 -13 5  15 o 210.2620 4.717395 450.3866       20.17040  419.2383       
28.10186  483.4854       28.96838  202.6471 6.819354 217.6562 6.544882 
-15.00902      9.451935 
1 1 1 -13 5  16 o 134.3751 5.924471 184.2214       16.18900  192.3195       
22.70028  175.8398       23.09419  136.8440 8.195161 130.7362 8.737021 
6.107758       11.97899 
1 1 1 -13 5  17 o 57.57674 12.37669 35.52962       14.06003  29.50253       
19.55424  41.98097       20.23078  53.09507 16.43097 62.24749 15.91926 
-9.152424      22.87793 
1 1 1 -13 5  18 o 262.7506 5.611577 704.5479       29.98334  707.3434       
36.28900  698.5340       53.22598  263.0480 6.784044 260.5717 10.04488 
2.476227       12.12118 
1 1 1 -13 5  19 o 36.60041 13.96176 9.920850       14.43909  -14.20677      
20.38969  34.19226       20.45036  30.88589 14.19178 56.45330 16.66585 
-25.56741      21.88966 
1 1 1 -13 5  20 o 202.5068 6.257633 419.2929       25.76921  343.8172       
42.59506  462.8645       32.36363  181.8109 11.58123 212.5140 7.488904 
-30.70308      13.79161 
1 1 1 -13 5  21 f 179.2246 6.682204 328.8173       24.35392  304.1498       
29.75986  378.8302       42.37502  172.0112 8.507909 190.9920 10.95628 
-18.98080      13.87172 
1 1 1 -13 5  22 o 97.13996 9.274347 98.16446       18.09772  77.16078       
25.63020  119.0500       25.55803  84.24474 15.53320 106.3011 12.03534 
-22.05639      19.65018 
1 1 1 -13 5  23 o 130.3302 7.830934 175.4318       20.65811  195.0610       
29.71217  157.0636       28.74193  136.5304 10.78964 122.1064 11.71909 
14.42403       15.92964 
1 1 1 -13 5  24 o 98.54543 9.898647 102.1602       19.56828  93.11549       
28.20750  110.5512       27.16914  91.78825 15.67493 101.1441 13.55001 
-9.355888      20.71971 
1 1 1 -13 5  25 o 46.79529 17.36343 21.14674       21.99445  43.55134       
26.81114  -24.95791      38.46087  61.11866 19.29162 40.53608 18.92327 
20.58258       27.02326 
1 1 1 -13 5  26 o 51.78441 17.51898 30.67176       21.94049  65.29914       
38.12357  13.52284       26.82885  70.72237 23.07050 44.41676 18.32921 
26.30561       29.46537 
1 1 1 -13 6  1  o 176.3020 4.640533 316.4755       16.63706  298.0994       
23.78740  334.0724       23.27760  170.9676 6.841979 181.0294 6.323209 
-10.06181      9.316418 
1 1 1 -13 6  2  o 378.4991 5.156619 1458.848       39.69002  1492.516       
69.15688  1442.313       48.46651  382.2695 8.896401 376.2026 6.335320 
6.066833       10.92164 
1 1 1 -13 6  3  o 183.9754 5.226603 344.6281       19.55378  385.0186       
33.92531  324.5347       23.92826  194.2263 8.589432 178.4576 6.593632 
15.76869       10.82840 
1 1 1 -13 6  4  o 186.8303 4.552020 355.2557       17.29429  374.1930       
25.17290  338.3271       23.80042  191.6503 6.459106 182.2363 6.422413 
9.414001       9.108646 
1 1 1 -13 6  5  o 242.8165 4.295627 599.9781       21.21075  628.7689       
30.57300  573.2608       29.45150  248.4735 6.050714 237.2489 6.104522 
11.22455       8.595134 
1 1 1 -13 6  6  o 32.33567 12.66202 6.303299       12.10330  -1.472535      
17.12262  14.06831       17.11069  32.88643 14.15460 41.63366 15.34046 
-8.747231      20.87300 
1 1 1 -13 6  7  o 288.6427 4.291431 847.7899       25.18918  847.4542       
35.71834  848.1219       35.52819  288.4693 6.088920 288.5856 6.054066 
-0.1162720     8.586423 
1 1 1 -13 6  8  o 388.9489 6.439867 1541.003       50.93553  0.000000       
0.000000  1541.003       50.93553  ?        ?        388.9489 6.439867 
0.000000       6.439867 
1 1 1 -13 6  9  o 121.7386 6.617134 151.4400       16.31982  153.6565       
27.15686  150.1870       20.41792  122.0922 11.05805 121.0546 8.345262 
1.037659       13.85366 
1 1 1 -13 6  10 o 126.3917 6.296105 162.7516       16.18237  158.4078       
26.70466  165.2723       20.34281  124.0090 10.69424 127.0499 7.913093 
-3.040855      13.30353 
1 1 1 -13 6  11 o 197.2272 5.321440 396.1287       21.34261  388.6537       
38.49656  399.4458       25.64451  195.0021 9.708032 197.9842 6.369606 
-2.982040      11.61110 
1 1 1 -13 6  12 o 234.5978 4.466728 560.2832       21.30909  546.8922       
30.05646  573.8162       30.21538  231.6281 6.381094 237.2723 6.262239 
-5.644196      8.940581 
1 1 1 -13 6  13 o 134.6329 5.703662 184.7205       15.61552  176.4142       
22.50598  192.4314       21.68429  131.1201 8.486173 137.0574 7.812564 
-5.937317      11.53479 
1 1 1 -13 6  14 o 214.4813 6.541481 469.3218       28.53100  437.8742       
40.79013  499.4447       39.92174  206.7521 9.701830 220.9421 8.885453 
-14.18994      13.15586 
1 1 1 -13 6  15 f 201.5351 5.575387 414.1169       22.84952  405.5809       
40.70473  418.0443       27.61005  198.5699 10.11394 202.3634 6.709403 
-3.793457      12.13705 
1 1 1 -13 6  16 o 250.8934 5.432795 641.9008       27.71814  619.1185       
47.24300  653.8600       34.22862  245.6751 9.456377 253.0358 6.652058 
-7.360672      11.56170 
1 1 1 -13 6  17 o 199.9540 5.809924 408.0081       23.62392  378.6563       
40.44057  423.2130       29.10656  191.5812 10.41955 203.4728 7.034496 
-11.89159      12.57184 
1 1 1 -13 6  18 o 41.67012 16.49152 10.57363       20.73074  29.73361       
29.73306  -7.551882      28.91926  56.53178 20.31008 40.35306 17.85372 
16.17872       27.04172 
1 1 1 -13 6  19 o 97.77487 9.599803 99.29247       18.84101  21.72192       
32.99450  136.8255       22.95092  54.01329 20.97367 114.8481 9.924605 
-60.83480      23.20329 
1 1 1 -13 6  20 o 206.6514 7.682050 437.9101       32.28249  0.000000       
0.000000  437.9101       32.28249  ?        ?        206.6514 7.682050 
0.000000       7.682050 
1 1 1 -13 6  21 o 63.26535 15.47704 43.80291       19.74785  95.93288       
35.00250  19.46192       23.91798  93.05413 19.13642 48.16231 18.06000 
44.89182       26.31285 
1 1 1 -13 6  22 o 29.73202 13.70421 -13.85671      19.21556  -39.47391      
32.97397  -0.6836622     23.64551  35.04142 16.70385 38.43134 16.58707 
-3.389919      23.54038 
1 1 1 -13 6  23 o 117.5169 9.873931 144.1575       23.37747  146.8047       
43.17839  143.0597       27.80534  114.7140 19.18735 116.3871 11.91624 
-1.673096      22.58653 
1 1 1 -13 6  24 o 207.8578 6.963641 444.9036       29.43433  454.4453       
52.93636  440.6334       35.41352  206.7601 12.65116 206.2472 8.443639 
0.5128937      15.21009 
1 1 1 -13 6  25 o 155.2987 8.789635 252.7476       27.64423  265.6514       
48.69292  246.6105       33.58071  154.3436 15.73410 152.1724 10.92452 
2.171127       19.15482 
1 1 1 -13 6  26 o 65.59903 19.16547 53.02882       27.16981  0.000000       
0.000000  53.02882       27.16981  ?        ?        65.59903 19.16547 
0.000000       19.16547 
1 1 1 -13 7  1  o 173.6294 4.564972 306.9542       16.11806  319.2278       
23.48981  296.0337       22.15728  176.9379 6.528407 170.3987 6.394387 
6.539215       9.138287 
1 1 1 -13 7  2  o 406.2374 5.283161 1680.729       43.64405  1709.376       
75.69652  1666.464       53.41660  409.0221 9.100760 404.3391 6.496494 
4.683014       11.18160 
1 1 1 -13 7  3  o 235.2036 4.811000 563.1767       23.01075  512.3750       
37.98779  592.6206       28.92026  224.0684 8.337042 241.1992 5.896237 
-17.13080      10.21136 
1 1 1 -13 7  4  o 282.9041 4.872633 814.7154       28.03201  801.1352       
47.80239  821.8329       34.60695  280.2161 8.388902 284.0525 5.991192 
-3.836426      10.30864 
1 1 1 -13 7  5  o 127.9641 5.646266 166.7397       14.69267  162.2181       
21.07318  171.0169       20.49600  125.8404 8.281169 129.2714 7.833749 
-3.431061      11.39936 
1 1 1 -13 7  6  o 290.6733 4.271538 859.7828       25.24880  821.5764       
35.44112  899.1584       35.97937  284.0174 6.136364 297.1396 5.954448 
-13.12222      8.550463 
1 1 1 -13 7  7  o 241.4909 6.219073 593.9873       30.54063  593.9873       
30.54063  0.000000       0.000000  241.4909 6.219073 ?        ?        
0.000000       6.219073 
1 1 1 -13 7  8  o 172.6813 5.315907 303.5825       18.66699  324.9800       
31.69093  292.2141       23.09958  178.4665 8.732264 169.3521 6.707520 
9.114395       11.01105 
1 1 1 -13 7  9  o 485.3789 5.790711 2399.326       57.15631  2303.714       
95.43432  2452.803       71.37238  474.8722 9.882718 490.5484 7.154789 
-15.67615      12.20078 
1 1 1 -13 7  10 o 488.7504 5.119604 2432.147       50.88326  2639.987       
76.88152  2270.144       67.87647  508.8210 7.430286 471.8993 7.073242 
36.92166       10.25865 
1 1 1 -13 7  11 o 280.9655 4.386207 803.5388       25.06072  816.7566       
36.20481  791.3802       34.72398  283.1022 6.288855 278.6856 6.127222 
4.416626       8.780236 
1 1 1 -13 7  12 o 194.4528 5.461909 385.1961       21.59783  385.4950       
39.21992  385.0660       25.87455  193.8421 9.983541 194.3387 6.547297 
-0.4965820     11.93894 
1 1 1 -13 7  13 o 370.8387 4.618690 1400.430       34.83015  1428.815       
49.67693  1372.984       48.84807  374.2908 6.526708 366.9016 6.547061 
7.389191       9.244562 
1 1 1 -13 7  14 o 248.9560 5.163785 631.5498       26.14220  617.7262       
31.99080  659.3362       45.35553  246.0744 6.393035 253.8536 8.786085 
-7.779190      10.86583 
1 1 1 -13 7  15 o 40.00192 13.29867 15.70365       12.64557  26.44044       
17.84218  4.866726       17.92519  50.50977 15.70580 36.60461 15.02924 
13.90516       21.73822 
1 1 1 -13 7  16 o 132.2285 5.983561 178.4189       16.08926  187.3687       
22.61946  169.2534       22.89026  135.0338 8.277308 128.2183 8.832970 
6.815445       12.10517 
1 1 1 -13 7  17 o 104.3574 7.097155 111.8532       14.97169  117.6468       
21.26543  106.1590       21.08209  106.5413 9.929716 101.0620 10.40709 
5.479263       14.38426 
1 1 1 -13 7  18 o 261.5527 5.533004 698.1553       29.42874  657.6802       
35.17043  792.6624       53.74226  253.6141 6.819505 277.6880 9.517160 
-24.07394      11.70820 
1 1 1 -13 7  19 o 228.6211 5.034295 533.2510       23.40488  532.1256       
33.29790  534.3500       32.90460  227.9792 7.182411 228.4770 7.082111 
-0.4977875     10.08679 
1 1 1 -13 7  20 o 86.45296 13.47237 79.70543       22.91327  0.000000       
0.000000  79.70543       22.91327  ?        ?        86.45296 13.47237 
0.000000       13.47237 
1 1 1 -13 7  21 o 193.2729 5.663885 381.7073       22.26060  402.9235       
31.93140  361.6467       31.04962  198.0996 7.926525 187.6294 8.137743 
10.47021       11.36013 
1 1 1 -13 7  22 o 39.12550 14.96996 11.59193       16.63091  -9.443962      
23.04783  34.44309       24.02170  34.71231 15.60810 56.91470 18.29213 
-22.20239      24.04610 
1 1 1 -13 7  23 o 74.13622 12.84019 59.28808       18.65654  27.62146       
26.53567  90.24243       26.23555  53.28126 19.18227 91.19763 14.64213 
-37.91637      24.13196 
1 1 1 -13 7  24 o 66.80569 14.32834 49.50014       18.88155  59.81215       
26.94767  39.55499       26.46399  72.15476 18.32956 59.52989 19.20653 
12.62487       26.54927 
1 1 1 -13 7  25 o 39.28786 15.61745 11.08882       18.66749  16.74639       
26.16779  5.226044       26.63813  46.24350 18.45646 41.62223 17.77775 
4.621277       25.62595 
1 1 1 -13 7  26 o 55.89287 19.40235 36.91222       26.95540  0.000000       
0.000000  36.91222       26.95540  ?        ?        55.89287 19.40235 
0.000000       19.40235 
1 1 1 -13 8  1  o 44.21389 12.42182 20.64050       11.63048  25.29026       
16.89083  16.44831       16.03824  49.48901 15.26377 42.49186 14.95352 
6.997143       21.36798 
1 1 1 -13 8  2  o 321.3398 4.284408 1051.094       27.99669  1040.969       
39.78762  1061.023       39.40181  319.6004 6.121942 322.6783 6.004750 
-3.077942      8.575266 
1 1 1 -13 8  3  o 153.9480 5.419875 241.3678       16.96737  273.9844       
28.99649  224.3846       20.92353  163.5751 8.748900 148.3559 6.935515 
15.21921       11.16444 
1 1 1 -13 8  4  o 148.1989 5.415942 223.6481       16.32189  218.8695       
26.62832  226.5240       20.65749  146.1395 9.004189 149.0834 6.813918 
-2.943909      11.29181 
1 1 1 -13 8  5  o 323.3565 4.915904 1064.371       32.32484  1158.924       
58.03203  1021.838       38.92210  337.0258 8.467459 316.7351 6.042945 
20.29074       10.40265 
1 1 1 -13 8  6  o 174.7072 5.333366 310.7590       18.94800  308.7032       
32.63594  311.8044       23.27198  173.6488 9.275718 174.9418 6.541666 
-1.293015      11.35043 
1 1 1 -13 8  7  o 175.9271 5.317370 315.1107       19.02309  323.7328       
31.42809  310.1252       23.89820  178.1216 8.676608 174.4600 6.736247 
3.661621       10.98456 
1 1 1 -13 8  8  o 240.5657 4.839652 589.0852       23.67551  592.3553       
39.85266  587.3016       29.43218  240.9852 8.132339 240.1268 6.027405 
0.8584747      10.12248 
1 1 1 -13 8  9  o 115.4897 6.503372 136.3340       15.21115  177.0834       
25.77200  114.5499       18.84335  131.3026 9.721216 105.5649 8.859769 
25.73769       13.15285 
1 1 1 -13 8  10 o 259.2475 4.286848 684.0446       22.59978  684.4010       
31.88035  683.6846       32.04208  259.1868 6.048654 259.0482 6.082592 
0.1385803      8.578119 
1 1 1 -13 8  11 o 286.4166 4.334535 835.0349       25.24597  803.3472       
35.23621  868.4598       36.18926  280.7680 6.171491 291.9328 6.096007 
-11.16476      8.674595 
1 1 1 -13 8  12 o 67.93297 11.32398 48.56417       15.09269  84.15909       
28.87657  35.18586       17.70321  88.79803 16.60194 57.35343 15.00601 
31.44461       22.37867 
1 1 1 -13 8  13 o 123.3918 5.840139 155.2027       14.65416  145.9202       
20.55233  164.8022       20.90027  119.1724 8.537303 126.7396 8.152644 
-7.567215      11.80471 
1 1 1 -13 8  14 o 49.19202 13.73638 25.71300       14.26771  34.97481       
18.00224  10.06824       23.39716  57.10093 15.22513 43.48983 17.41903 
13.61110       23.13497 
1 1 1 -13 8  15 o 200.6593 4.746225 410.2563       19.36685  415.3835       
27.24545  405.0198       27.53455  201.7057 6.642389 199.1540 6.798881 
2.551682       9.505057 
1 1 1 -13 8  16 o 151.4016 5.442866 233.7824       16.75751  223.7613       
23.25740  244.6019       24.16612  147.6863 7.771420 154.6308 7.685276 
-6.944565      10.92970 
1 1 1 -13 8  17 o 176.5773 5.130827 317.9657       18.42356  293.3815       
25.87205  343.2572       26.24157  169.3268 7.513700 183.2256 7.042913 
-13.89880      10.29846 
1 1 1 -13 8  18 o 145.4748 6.809035 216.4158       20.14302  231.0792       
24.58761  186.4901       35.12554  149.9324 8.094342 133.4129 13.11669 
16.51942       15.41317 
1 1 1 -13 8  19 o 47.57658 13.96539 24.07561       14.39622  20.10042       
20.67105  27.81974       20.06130  47.00353 16.92950 51.83452 16.72235 
-4.830994      23.79590 
1 1 1 -13 8  20 o 208.0429 6.282813 442.6689       26.58022  432.4151       
47.54386  447.3310       32.05826  203.9107 11.51283 208.8645 7.547859 
-4.953812      13.76646 
1 1 1 -13 8  21 o 130.5992 7.130792 175.3267       18.86617  168.7552       
26.16811  182.4397       27.22485  127.3995 10.18592 132.4958 10.18234 
-5.096367      14.40254 
1 1 1 -13 8  22 f 52.13932 14.96035 29.46320       16.68965  2.689695       
23.63869  56.07444       23.56694  39.75346 16.85576 71.22035 16.58207 
-31.46689      23.64491 
1 1 1 -13 8  23 o 116.9454 8.468592 141.9014       20.00301  175.1881       
29.32274  112.9291       27.35655  129.0543 11.28679 102.6506 13.42718 
26.40366       17.54083 
1 1 1 -13 8  24 o 122.2910 8.660314 155.9624       21.39743  199.1271       
30.63707  114.8563       29.89755  137.2168 11.07398 102.3500 14.79399 
34.86677       18.47959 
1 1 1 -13 8  25 o 99.90861 10.08646 106.3425       20.21186  110.2022       
29.71830  103.0206       27.57019  98.98168 15.25453 96.04071 14.57441 
2.940971       21.09772 
1 1 1 -13 8  26 o 59.21687 19.59758 42.90802       27.47308  0.000000       
0.000000  42.90802       27.47308  ?        ?        59.21687 19.59758 
0.000000       19.59758 
1 1 1 -13 9  1  o 347.8256 6.102937 1233.445       43.16700  1233.445       
43.16700  0.000000       0.000000  347.8256 6.102937 ?        ?        
0.000000       6.102937 
1 1 1 -13 9  2  f 53.64362 10.98361 30.54949       11.57833  27.27934       
16.72577  33.55848       16.04397  51.02579 15.07435 56.01323 14.09639 
-4.987438      20.63842 
1 1 1 -13 9  3  o 240.5787 4.219490 589.0969       20.64280  578.7410       
29.38768  599.1833       29.00278  238.3231 6.063839 242.5110 5.881076 
-4.187912      8.447319 
1 1 1 -13 9  4  o 423.2354 5.316457 1824.088       45.75680  1789.730       
77.37650  1842.563       56.74114  418.6195 9.089462 425.2043 6.562192 
-6.584808      11.21074 
1 1 1 -13 9  5  o 146.1499 5.487195 217.5130       16.30799  264.6458       
28.19470  193.8169       19.99144  160.7950 8.654564 137.7002 7.164078 
23.09479       11.23501 
1 1 1 -13 9  6  o 220.2437 4.858753 493.7822       21.76105  592.7418       
39.44399  450.4834       26.09094  241.0612 8.046408 210.2950 6.101116 
30.76620       10.09793 
1 1 1 -13 9  7  o 191.1096 5.035836 371.8174       19.57066  385.8647       
33.73764  364.6933       24.02614  194.4590 8.531695 189.2063 6.244490 
5.252670       10.57277 
1 1 1 -13 9  8  o 337.4734 4.972413 1159.427       34.12386  1139.943       
57.20252  1170.191       42.51771  334.2368 8.416071 338.9222 6.169052 
-4.685364      10.43491 
1 1 1 -13 9  9  o 298.0425 4.257027 904.0577       25.80097  909.3414       
36.85621  898.9800       36.13078  298.7641 6.066397 297.0652 5.981004 
1.698883       8.519012 
1 1 1 -13 9  10 o 211.4288 4.358324 455.0085       18.73852  450.1810       
26.50355  459.8335       26.49697  210.1880 6.200758 212.4344 6.133664 
-2.246414      8.721882 
1 1 1 -13 9  11 f 300.8141 4.316344 921.1346       26.40375  949.0392       
37.98131  895.0367       36.73115  305.1572 6.120613 296.3508 6.095045 
8.806335       8.637794 
1 1 1 -13 9  12 o 184.3930 5.497653 346.4352       20.61452  403.1727       
38.52042  323.6644       24.40305  198.5018 9.542784 178.1364 6.736585 
20.36539       11.68102 
1 1 1 -13 9  13 o 68.08980 9.415305 48.34508       12.68787  25.93701       
17.24073  74.81862       18.73956  50.04036 15.41894 84.66454 11.15613 
-34.62418      19.03163 
1 1 1 -13 9  14 o 347.8552 4.620807 1232.601       32.68645  1216.400       
45.18572  1250.385       47.34078  345.2615 6.435787 350.0086 6.651280 
-4.747131      9.255209 
1 1 1 -13 9  15 o 104.4472 6.793443 111.8804       14.35060  111.9515       
19.83667  111.8024       20.78625  104.0616 9.477955 103.9019 9.959926 
0.1597214      13.74888 
1 1 1 -13 9  16 o 194.3204 4.944927 384.9323       19.54024  385.3154       
27.13046  384.5193       28.16680  194.1833 6.870587 193.9437 7.141843 
0.2396240      9.910141 
1 1 1 -13 9  17 o 216.7239 4.854907 478.8708       21.39632  471.1178       
30.15911  486.7274       30.35983  214.6632 6.908908 218.2020 6.842098 
-3.538803      9.723544 
1 1 1 -13 9  18 o 145.3444 5.987145 215.7714       17.69577  248.5273       
25.40038  184.8798       24.66694  155.4973 8.060438 133.8382 9.117568 
21.65912       12.16966 
1 1 1 -13 9  19 o 265.5286 4.908374 719.3032       26.50333  673.6225       
36.81010  768.4748       38.19076  256.4975 7.057200 274.0157 6.853800 
-17.51819      9.837613 
1 1 1 -13 9  20 o 92.22837 10.62570 89.06888       19.56402  48.17229       
35.30797  107.1881       23.50167  67.18224 22.21619 101.0083 11.65563 
-33.82605      25.08810 
1 1 1 -13 9  21 o 200.7233 5.534203 411.6811       22.58938  453.0523       
32.86362  374.6273       31.10156  210.0860 7.692490 190.9633 8.009047 
19.12268       11.10492 
1 1 1 -13 9  22 o 146.8891 6.748733 221.1963       20.15874  218.0579       
28.40580  224.3806       28.61284  144.9056 9.695805 147.0232 9.623357 
-2.117661      13.66081 
1 1 1 -13 9  23 o 63.32624 14.39934 44.20673       18.12357  77.38260       
26.03848  13.03115       25.24131  83.74228 15.87133 45.12815 18.08638 
38.61413       24.06276 
1 1 1 -13 9  24 o 61.88744 15.22643 43.07312       19.03133  64.45621       
27.91079  24.49252       26.01756  74.65350 18.48330 50.68663 18.86944 
23.96687       26.41379 
1 1 1 -13 9  25 o 90.82962 10.98706 88.93295       19.88106  105.7129       
28.92008  73.89741       27.37559  96.82201 15.18808 79.41697 17.42945 
17.40504       23.11846 
1 1 1 -13 9  26 f 57.98698 19.09494 41.00698       26.09386  0.000000       
0.000000  41.00698       26.09386  ?        ?        57.98698 19.09494 
0.000000       19.09494 
1 1 1 -13 10 1  o 256.2873 4.130872 668.7148       21.52882  634.9291       
29.71617  706.0380       31.23316  249.5654 5.855405 263.1719 5.836129 
-13.60652      8.267175 
1 1 1 -13 10 2  o 224.4539 4.176712 512.8495       19.06396  481.0362       
26.21994  548.5293       27.76760  217.2499 5.935000 231.9953 5.885832 
-14.74539      8.358664 
1 1 1 -13 10 3  o 370.8724 4.399832 1400.186       33.18272  1337.020       
45.77121  1470.164       48.17599  362.1967 6.214361 379.7996 6.237704 
-17.60291      8.804955 
1 1 1 -13 10 4  o 37.13101 12.29881 13.43281       10.81918  -12.20651      
15.50537  37.76123       15.10379  26.66545 12.29758 59.53793 12.85163 
-32.87249      17.78749 
1 1 1 -13 10 5  o 100.3190 6.087666 102.9057       12.36023  101.3426       
18.02218  104.2938       16.98400  99.21352 9.031636 100.7459 8.365800 
-1.532425      12.31085 
1 1 1 -13 10 6  o 311.1876 4.822531 985.8124       30.51749  989.5778       
51.82203  983.8133       37.75921  311.4260 8.182918 310.7709 5.974906 
0.6550293      10.13211 
1 1 1 -13 10 7  o 135.5985 5.847875 187.2859       16.12517  216.9366       
27.38018  171.5404       19.95245  145.4466 9.306023 129.4714 7.611770 
15.97520       12.02252 
1 1 1 -13 10 8  o 285.7785 4.192454 831.1662       24.36404  816.9749       
34.36694  845.5056       34.54568  283.1921 5.967717 288.1010 5.896543 
-4.908936      8.389450 
1 1 1 -13 10 9  o 137.7019 4.932790 193.0597       13.81287  216.4184       
19.93363  171.4832       19.15813  145.7094 6.727405 129.4696 7.306538 
16.23972       9.931942 
1 1 1 -13 10 10 o 409.6449 4.648672 1708.438       38.72468  1702.541       
54.75220  1714.340       54.77773  408.6706 6.588352 410.0874 6.568651 
-1.416840      9.303416 
1 1 1 -13 10 11 o 151.3285 7.074719 233.6084       21.77115  233.6084       
21.77115  0.000000       0.000000  151.3285 7.074719 ?        ?        
0.000000       7.074719 
1 1 1 -13 10 12 o 63.40213 11.75036 42.56859       14.59191  70.17576       
26.01998  29.90317       17.62406  80.89947 16.37833 53.20437 15.40477 
27.69510       22.48459 
1 1 1 -13 10 13 o 28.40824 13.01509 -11.72791      16.97719  -11.72791      
16.97719  0.000000       0.000000  28.40824 13.01509 ?        ?        
0.000000       13.01509 
1 1 1 -13 10 14 o 127.8459 8.049315 167.8052       20.81968  167.8052       
20.81968  0.000000       0.000000  127.8459 8.049315 ?        ?        
0.000000       8.049315 
1 1 1 -13 10 15 o 139.7178 5.645679 199.1147       16.04055  205.3704       
22.23206  192.3223       23.16629  141.4881 7.756523 136.8042 8.367550 
4.683838       11.40963 
1 1 1 -13 10 16 o 138.1823 5.755602 194.8473       16.17315  209.1339       
22.70976  180.1442       23.03837  142.7252 7.854804 132.2986 8.610270 
10.42656       11.65481 
1 1 1 -13 10 17 o 178.3755 6.073242 324.9331       22.02963  347.6520       
26.84594  278.0953       38.54634  184.3489 7.161212 163.6690 11.65770 
20.67992       13.68155 
1 1 1 -13 10 18 o 304.4464 4.753573 945.2015       29.42947  969.1088       
41.83984  921.7912       41.40271  307.8299 6.683867 300.1950 6.782251 
7.634918       9.522238 
1 1 1 -13 10 19 o 113.0509 8.239340 131.8935       18.81127  142.1349       
31.37280  126.1446       23.50538  115.9837 13.55746 110.0027 10.64075 
5.981003       17.23457 
1 1 1 -13 10 20 o 236.1507 5.984499 570.1807       28.73879  680.5830       
54.96527  528.6444       33.71425  256.5142 10.53721 227.0795 7.301029 
29.43469       12.81943 
1 1 1 -13 10 21 o 305.1949 5.041306 951.0329       31.28756  914.0312       
43.57522  990.4088       44.95145  298.5586 7.177258 310.8060 7.112182 
-12.24741      10.10427 
1 1 1 -13 10 22 o 42.52074 15.32864 16.55903       16.95069  28.42404       
23.94450  4.639555       23.99940  53.04628 18.29388 40.78321 17.12080 
12.26307       25.05570 
1 1 1 -13 10 23 o 166.4817 6.440277 284.5028       21.80330  308.7924       
30.35858  258.6281       31.33359  172.5718 8.678559 157.4554 9.835157 
15.11646       13.11670 
1 1 1 -13 10 24 o 38.62055 15.48608 9.487202       18.51532  -2.090530      
26.35800  20.76525       26.01463  39.17433 17.19962 48.66052 18.69799 
-9.486195      25.40555 
1 1 1 -13 10 25 o 130.9504 8.144491 179.7073       21.58071  150.7510       
30.21960  209.8432       30.82898  117.2961 12.88144 139.9296 10.92072 
-22.63352      16.88768 
1 1 1 -13 11 1  o 231.1100 4.082046 543.8004       19.18439  523.4465       
26.48276  566.2762       27.82894  226.5951 5.747266 235.6766 5.806690 
-9.081573      8.169989 
1 1 1 -13 11 2  o 415.6995 6.494304 1762.348       54.89888  0.000000       
0.000000  1762.348       54.89888  ?        ?        415.6995 6.494304 
0.000000       6.494304 
1 1 1 -13 11 3  o 303.0296 4.175331 934.7238       25.72926  932.4612       
36.48257  936.9627       36.29153  302.4884 5.930964 303.2230 5.885613 
-0.7345276     8.355644 
1 1 1 -13 11 4  o 206.0094 4.175158 431.9675       17.49087  415.1075       
24.58629  449.2440       24.88812  201.8371 5.990189 209.9843 5.828461 
-8.147202      8.357830 
1 1 1 -13 11 5  o 117.4836 5.285669 140.5624       12.62783  156.1950       
18.29704  126.3437       17.44996  123.5396 7.315805 111.0106 7.779137 
12.52898       10.67876 
1 1 1 -13 11 6  o 48.35472 11.45812 24.90441       11.09434  53.68002       
16.20091  -0.5059476     15.22413  71.51187 11.53296 31.39657 13.42570 
40.11530       17.69912 
1 1 1 -13 11 7  o 115.7465 5.478241 136.4453       12.89438  149.2532       
18.69342  124.8200       17.80948  120.7214 7.654305 110.3164 7.993087 
10.40497       11.06697 
1 1 1 -13 11 8  o 247.5719 4.162088 623.8062       20.95386  656.2505       
30.29076  594.0338       29.01674  253.8055 5.868914 241.4716 5.909235 
12.33395       8.328458 
1 1 1 -13 11 9  o 296.7658 4.194739 896.3990       25.31455  893.9232       
35.80520  898.8734       35.79517  296.2003 5.944416 297.0212 5.926326 
-0.8208618     8.393891 
1 1 1 -13 11 10 o 160.3608 4.680861 261.8312       15.26425  252.4678       
21.35561  271.6116       21.82588  157.3545 6.673925 163.2181 6.575853 
-5.863556      9.369265 
1 1 1 -13 11 11 o 132.9959 5.234580 180.1866       14.15701  164.7712       
19.68002  196.7188       20.38042  126.8130 7.667562 138.6548 7.253352 
-11.84175      10.55474 
1 1 1 -13 11 12 o 111.5469 6.031207 127.2326       13.63002  154.1985       
19.52538  101.6028       19.03547  122.6095 7.872742 99.16895 9.557561 
23.44050       12.38253 
1 1 1 -13 11 13 o 166.3561 5.760717 282.1730       19.48798  276.7678       
35.52842  284.4991       23.30711  163.8513 10.72201 166.9423 6.865475 
-3.090958      12.73170 
1 1 1 -13 11 14 o 143.5009 5.270425 209.9226       15.37984  212.9648       
21.58150  206.7833       21.92327  144.1706 7.386085 142.0224 7.618771 
2.148193       10.61131 
1 1 1 -13 11 15 o 91.66148 8.397764 86.75440       15.47915  83.99627       
19.05276  92.10969       26.54858  89.76004 10.64564 93.14645 14.48675 
-3.386406      17.97765 
1 1 1 -13 11 16 o 181.8398 5.005160 337.1494       18.50795  344.7882       
25.94928  329.2400       26.40507  183.6490 6.948410 179.4193 7.237136 
4.229691       10.03277 
1 1 1 -13 11 17 o 212.1114 5.600678 459.2159       24.15772  443.5113       
29.11444  493.9251       43.28300  208.2507 6.874965 219.1400 9.712794 
-10.88936      11.89973 
1 1 1 -13 11 18 o 49.08131 13.64696 25.85919       14.11415  -3.590088      
19.62565  57.40718       20.31293  34.01619 14.89041 72.98972 14.19656 
-38.97353      20.57344 
1 1 1 -13 11 19 o 122.1815 7.853745 153.7860       19.41004  187.6529       
32.92612  135.7485       24.02928  133.8576 12.23128 114.1686 10.46657 
19.68897       16.09824 
1 1 1 -13 11 20 o 129.7075 8.073656 173.4801       21.18985  114.6520       
38.25138  199.5258       25.45201  101.8382 19.17432 138.8959 9.060802 
-37.05775      21.20737 
1 1 1 -13 11 21 o 214.1878 5.518643 468.8640       24.03690  491.2387       
34.24172  447.1271       33.75022  218.7080 7.699091 208.5869 7.956797 
10.12117       11.07188 
1 1 1 -13 11 22 o 48.50444 15.54421 24.71701       17.35603  18.29742       
24.04319  31.70214       25.07990  47.30075 18.02282 55.29703 18.73035 
-7.996273      25.99323 
1 1 1 -13 11 23 o 181.5786 6.313525 338.4432       23.31245  338.4182       
32.32489  338.4702       33.65276  180.7686 8.793514 180.4068 9.203714 
0.3618622      12.72927 
1 1 1 -13 11 24 o 82.42862 13.77518 74.80051       22.27529  74.82281       
27.30479  74.75611       38.51646  80.87895 17.13448 78.20198 22.81101 
2.676971       28.52951 
1 1 1 -13 11 25 o 100.8779 10.21590 109.0047       20.66777  91.27150       
29.05284  127.1738       29.40768  88.58488 16.74134 106.8898 13.85520 
-18.30495      21.73106 
1 1 1 -13 12 1  o 332.1247 4.232015 1123.266       28.58247  1144.310       
40.87806  1103.136       39.98033  334.9649 6.001221 328.8873 5.977889 
6.077576       8.470526 
1 1 1 -13 12 2  o 289.9794 4.159162 856.1051       24.52587  808.4592       
33.97239  907.9683       35.44403  281.6032 5.932490 298.4433 5.840229 
-16.84006      8.324825 
1 1 1 -13 12 3  o 142.5967 4.719591 207.0659       13.68564  196.0543       
19.76390  217.2101       18.96938  138.4453 7.043338 145.9542 6.391237 
-7.508957      9.510863 
1 1 1 -13 12 4  o 49.01796 10.90407 25.57638       10.58851  40.15008       
15.52780  12.90969       14.47627  61.39314 12.85004 38.97950 14.14820 
22.41363       19.11270 
1 1 1 -13 12 5  f 291.3753 5.847572 865.0272       34.64812  865.0272       
34.64812  0.000000       0.000000  291.3753 5.847572 ?        ?        
0.000000       5.847572 
1 1 1 -13 12 6  o 308.4947 4.185322 968.6500       26.25597  993.8995       
37.73660  944.9574       36.55471  312.3254 5.941608 304.5426 5.902606 
7.782776       8.375169 
1 1 1 -13 12 7  o 387.9572 4.479609 1532.155       35.34072  1546.944       
50.25648  1517.687       49.70670  389.5938 6.343494 385.8934 6.334265 
3.700470       8.964531 
1 1 1 -13 12 8  f 203.7796 4.282185 422.6900       17.74507  405.9923       
24.85696  440.0439       25.34066  199.5991 6.124038 207.8107 5.996511 
-8.211578      8.570997 
1 1 1 -13 12 9  o 256.8526 4.133490 671.5169       21.58998  672.5369       
30.58184  670.5035       30.48407  256.9085 5.853744 256.5208 5.843849 
0.3877563      8.271450 
1 1 1 -13 12 10 o 89.21777 6.848155 81.66181       12.32963  98.20463       
17.12945  63.87637       17.76115  97.64560 8.718287 78.09524 11.53079 
19.55036       14.45571 
1 1 1 -13 12 11 o 96.98579 6.365937 96.33266       12.48545  80.23955       
17.25645  114.0122       18.08702  87.99139 9.811108 105.2733 8.521958 
-17.28187      12.99545 
1 1 1 -13 12 12 o 70.31378 8.676231 51.32493       12.14263  43.06767       
16.66597  60.66779       17.72772  63.47544 13.33537 75.94077 11.86797 
-12.46533      17.85164 
1 1 1 -13 12 13 o 84.54219 9.058485 74.01865       15.33080  95.10873       
28.04103  65.02686       18.30957  94.67015 15.07087 78.64802 11.81334 
16.02213       19.14905 
1 1 1 -13 12 14 o 114.9245 6.048822 135.1407       14.08651  133.4863       
19.46088  136.9615       20.41609  113.8739 8.464524 115.3023 8.773116 
-1.428383      12.19081 
1 1 1 -13 12 15 o 181.4168 5.575049 335.7546       20.56731  348.8510       
25.35485  310.5562       35.16993  184.7784 6.747741 173.5574 10.00743 
11.22095       12.06982 
1 1 1 -13 12 16 o 158.1689 5.304980 255.2019       17.06303  250.5167       
23.66676  260.2734       24.62318  156.4636 7.438304 159.4599 7.593488 
-2.996216      10.62965 
1 1 1 -13 12 17 o 308.6268 5.371976 972.0193       33.71469  959.6720       
40.65796  999.1982       60.32206  306.3949 6.525482 311.6993 9.516756 
-5.304413      11.53909 
1 1 1 -13 12 18 o 200.8141 5.034400 411.4715       20.55859  429.7690       
29.28421  393.6895       28.86871  204.8888 7.028520 196.0589 7.240845 
8.829849       10.09108 
1 1 1 -13 12 19 o 139.3665 7.067836 199.4911       19.96516  232.7360       
34.48580  182.7309       24.48598  149.3987 11.43810 132.9184 9.114058 
16.48022       14.62519 
1 1 1 -13 12 20 o 64.01198 12.72032 44.16441       15.97465  38.59062       
23.25798  49.14220       21.97935  59.57483 17.81735 66.80904 16.31842 
-7.234211      24.16089 
1 1 1 -13 12 21 o 156.5717 6.304900 250.9875       20.07442  239.0810       
28.02542  263.5335       28.76819  151.9841 9.109831 159.6557 8.896224 
-7.671600      12.73310 
1 1 1 -13 12 22 o 37.45955 15.29948 6.566121       18.45371  -10.55495      
23.11561  36.65197       30.64228  34.27753 15.50121 59.48285 20.68457 
-25.20533      25.84838 
1 1 1 -13 12 23 o 124.4554 7.693970 160.4085       19.37674  142.7643       
26.44500  180.8626       28.47293  116.1367 11.34233 131.0713 10.77800 
-14.93466      15.64652 
1 1 1 -13 12 24 o 51.57972 17.46472 28.85617       21.80499  36.66136       
26.55578  12.70381       38.20193  57.20800 19.27409 50.67418 21.45378 
6.533821       28.84017 
1 1 1 -13 12 25 o 39.65168 15.38645 13.29081       17.74761  15.74351       
25.62310  11.02903       24.60562  44.94705 18.14880 42.31561 17.51507 
2.631435       25.22215 
1 1 1 -13 13 1  o 159.6345 4.486969 259.5722       14.56570  261.5664       
20.59362  257.5760       20.60441  160.1042 6.325262 158.8736 6.377596 
1.230667       8.982353 
1 1 1 -13 13 2  o 178.2334 4.298118 323.4806       15.57826  349.9432       
22.67184  299.8122       21.44156  185.2476 6.018425 171.4551 6.149709 
13.79250       8.604671 
1 1 1 -13 13 3  o 225.4863 4.128161 517.6157       18.92902  524.5762       
27.09311  510.9779       26.45757  226.8515 5.873077 223.8979 5.810966 
2.953598       8.261983 
1 1 1 -13 13 4  f 264.3761 4.088017 711.4803       21.97791  746.2560       
31.90439  680.0747       30.31908  270.6036 5.797830 258.3286 5.771545 
12.27502       8.180805 
1 1 1 -13 13 5  o 78.62321 6.941121 63.53666       10.98372  41.59090       
15.51779  85.57056       15.54892  62.53507 12.63744 91.13578 8.487560 
-28.60071      15.22312 
1 1 1 -13 13 6  o 128.8687 5.121150 169.1364       13.42042  204.8931       
19.02309  133.7066       18.93591  141.7604 6.598948 114.1389 8.213228 
27.62146       10.53581 
1 1 1 -13 13 7  o 168.0461 4.457918 287.4901       15.23393  310.7033       
21.82493  265.4347       21.27369  174.6002 6.146909 161.3587 6.483342 
13.24147       8.934104 
1 1 1 -13 13 8  o 321.9380 4.223328 1055.031       27.64894  1034.330       
38.65489  1076.718       39.56396  318.5815 5.966676 325.0415 5.985624 
-6.459991      8.451563 
1 1 1 -13 13 9  f 177.2794 4.397239 319.9655       15.85220  327.1142       
22.69268  313.1523       22.15383  179.1315 6.229633 175.2680 6.215769 
3.863525       8.800233 
1 1 1 -13 13 10 o 316.5753 4.259453 1020.332       27.42094  1040.091       
38.85778  1000.732       38.70082  319.4238 5.982176 313.3092 6.074292 
6.114624       8.525459 
1 1 1 -13 13 11 o 113.8498 5.629586 132.1157       13.03348  128.1846       
17.85166  136.6032       19.07315  111.7342 7.907794 115.3238 8.186212 
-3.589622      11.38188 
1 1 1 -13 13 12 o 121.1101 5.508321 149.5194       13.56597  153.9687       
18.83089  144.7188       19.56024  122.5253 7.595205 118.6936 8.153378 
3.831741       11.14292 
1 1 1 -13 13 13 o 101.0806 7.898384 105.1150       16.10620  127.6461       
27.85034  93.79290       19.74246  110.5442 12.61512 95.02040 10.38637 
15.52383       16.34069 
1 1 1 -13 13 14 o 289.8649 4.424952 856.0144       26.08288  848.9537       
36.76505  863.1694       37.00968  288.3770 6.269360 290.7833 6.258849 
-2.406342      8.858785 
1 1 1 -13 13 15 o 428.4605 5.650496 1873.214       49.23215  1906.529       
60.90926  1810.428       83.61596  431.8658 6.935585 419.7273 9.796491 
12.13852       12.00307 
1 1 1 -13 13 16 o 95.16294 7.404298 93.23618       14.21578  99.89146       
19.98310  86.41717       20.22743  98.00031 10.17565 90.85538 11.18424 
7.144920       15.12055 
1 1 1 -13 13 17 o 224.4869 5.509381 514.4379       25.15042  538.3864       
30.81855  466.6870       43.51750  229.4534 6.604900 212.8311 10.05489 
16.62233       12.03019 
1 1 1 -13 13 18 o 44.47420 14.06459 20.47279       14.24534  27.29738       
20.37993  13.95287       19.91984  51.52282 16.87087 42.85978 16.38709 
8.663044       23.51942 
1 1 1 -13 13 19 o 178.3966 6.291821 325.6045       22.82519  331.2137       
38.96959  322.6752       28.16134  178.5525 10.78328 177.2957 7.810947 
1.256790       13.31503 
1 1 1 -13 13 20 o 94.16836 8.588994 92.00484       16.26650  115.1123       
23.80197  71.75477       22.28181  104.7014 11.36147 81.66074 13.91693 
23.04069       17.96564 
1 1 1 -13 13 21 o 76.98825 11.09618 62.77512       16.87030  45.54162       
23.42708  81.33826       24.31404  64.09818 17.48734 86.84989 14.26212 
-22.75172      22.56579 
1 1 1 -13 13 22 o 138.3267 8.043627 197.8335       22.52839  187.9935       
27.77911  216.7397       38.50547  134.1327 10.26219 142.7672 13.42055 
-8.634476      16.89449 
1 1 1 -13 13 23 o 86.78870 10.92292 80.10123       18.85061  59.60324       
25.24040  105.9550       28.34673  72.41775 17.36423 98.47464 14.59762 
-26.05689      22.68495 
1 1 1 -13 13 24 o 37.56425 15.71791 5.619059       20.12398  -3.718754      
24.49733  24.99743       35.29025  36.99796 16.39761 53.73120 21.43706 
-16.73323      26.98943 
1 1 1 -13 13 25 o 86.08755 11.35466 80.97546       19.39263  58.85950       
27.63893  102.4207       27.21659  69.15331 19.04751 95.01959 14.54855 
-25.86629      23.96806 
1 1 1 -13 14 1  o 78.95678 6.772701 64.12572       10.76908  88.14752       
15.38481  41.04837       15.07934  92.44726 8.271027 62.02683 12.38864 
30.42043       14.89592 
1 1 1 -13 14 2  o 216.6870 4.093799 478.0958       18.03893  483.1778       
25.50735  473.0110       25.51446  217.6815 5.762256 215.3723 5.825660 
2.309158       8.194016 
1 1 1 -13 14 3  o 83.63853 6.614714 71.81474       11.15862  66.01510       
15.93669  77.39269       15.62916  79.64170 10.06496 86.50699 9.017024 
-6.865288      13.51333 
1 1 1 -13 14 4  o 312.9987 4.137372 997.3631       26.33410  1021.278       
37.87969  974.9930       36.63555  316.5253 5.885001 309.2775 5.825094 
7.247803       8.280396 
1 1 1 -13 14 5  f 281.6765 4.080154 807.6602       23.37107  795.1935       
32.64732  820.7643       33.47145  279.3341 5.747409 283.7838 5.800101 
-4.449677      8.165408 
1 1 1 -13 14 6  o 237.0898 4.074289 572.1870       19.64338  602.3865       
28.25950  543.9537       27.32398  243.1332 5.715692 231.0311 5.815967 
12.10204       8.154423 
1 1 1 -13 14 7  o 375.3098 4.425506 1434.096       33.77570  1439.399       
47.93817  1428.868       47.59576  375.7515 6.273779 374.3780 6.251822 
1.373566       8.856952 
1 1 1 -13 14 8  f 217.8222 4.150861 482.9962       18.38619  486.3669       
26.03727  479.6435       25.96687  218.4516 5.861231 216.9342 5.886271 
1.517395       8.306757 
1 1 1 -13 14 9  o 209.9419 4.272087 448.7373       18.23857  442.7690       
25.66246  454.8287       25.92601  208.4027 6.055411 211.2235 6.035900 
-2.820831      8.549859 
1 1 1 -13 14 10 o 245.1617 4.140365 611.9241       20.64157  601.5701       
28.63627  623.1221       29.78052  242.9256 5.796847 247.2248 5.923643 
-4.299194      8.288123 
1 1 1 -13 14 11 o 285.6209 4.256767 830.7122       24.72415  822.4982       
34.54931  839.3341       35.39653  283.9986 5.982348 286.8784 6.067523 
-2.879791      8.520759 
1 1 1 -13 14 12 o 305.7401 4.315122 952.0328       26.82853  945.6277       
37.61745  958.6633       38.27361  304.4604 6.075851 306.5410 6.139874 
-2.080627      8.637941 
1 1 1 -13 14 13 o 193.6206 5.332685 382.2383       20.99659  422.4548       
38.48258  365.1913       25.05448  202.9718 9.323460 189.1243 6.514582 
13.84744       11.37395 
1 1 1 -13 14 14 o 76.79720 8.275301 61.09098       12.71940  56.14521       
17.33144  66.86420       18.72522  72.80776 12.13291 79.65118 11.92768 
-6.843422      17.01402 
1 1 1 -13 14 15 o 194.9163 5.464246 387.6342       21.65857  370.7330       
26.39668  422.4543       37.88839  190.4366 6.816279 202.8432 9.185320 
-12.40652      11.43817 
1 1 1 -13 14 16 o 134.0549 5.859631 183.5078       15.97366  194.2721       
22.51268  172.5939       22.66846  137.4313 8.091157 129.3969 8.664896 
8.034378       11.85526 
1 1 1 -13 14 17 o 164.5278 5.340223 276.3054       17.86693  314.9622       
25.45466  238.7640       25.08472  175.3929 7.136805 152.3434 8.126546 
23.04953       10.81549 
1 1 1 -13 14 18 o 95.11842 11.22047 94.94324       21.28563  94.94324       
21.28563  0.000000       0.000000  95.11842 11.22047 ?        ?        
0.000000       11.22047 
1 1 1 -13 14 19 o 190.0700 5.338049 369.0244       20.63229  372.3579       
29.06683  365.6391       29.29141  190.4986 7.503335 188.7426 7.631658 
1.756027       10.70244 
1 1 1 -13 14 20 o 106.5773 7.753515 117.2834       16.68891  134.8070       
24.29690  101.6312       22.96293  113.5740 10.64428 98.17384 11.73474 
15.40015       15.84313 
1 1 1 -13 14 21 o 213.5960 5.467257 466.4798       23.74729  436.5843       
33.28625  497.4684       33.88935  206.0013 7.945906 220.0141 7.574626 
-14.01280      10.97781 
1 1 1 -13 14 22 o 73.91626 13.64980 59.44748       19.76137  54.62001       
24.88798  67.68333       32.50753  69.65679 17.57166 76.73323 20.45898 
-7.076439      26.96911 
1 1 1 -13 14 23 o 127.8364 7.551709 169.3545       19.54426  196.0593       
28.07158  144.2319       27.22727  136.5616 10.18168 116.4084 11.65860 
20.15320       15.47868 
1 1 1 -13 14 24 o 56.72266 17.09986 37.07891       21.35986  62.52216       
26.10110  -14.50819      37.16577  72.96350 17.75905 41.98833 19.24414 
30.97517       26.18627 
1 1 1 -13 14 25 o 91.92411 11.30183 92.37046       20.68159  86.33808       
29.92319  97.88765       28.61690  84.59599 17.95005 91.72213 15.91991 
-7.126144      23.99266 
1 1 1 -13 15 1  o 48.33063 10.39448 24.91403       9.912521  25.24426       
13.89725  24.57203       14.14282  48.66059 13.54586 48.11175 13.76160 
0.5488396      19.30989 
1 1 1 -13 15 2  o 207.5570 4.113280 438.7047       17.36110  449.2419       
24.33881  427.7895       24.77150  209.8844 5.702533 204.7849 5.948436 
5.099442       8.240314 
1 1 1 -13 15 3  o 39.35633 11.52825 16.20697       9.819140  3.804745       
14.33617  27.16623       13.47640  32.77128 13.44631 50.39244 13.04809 
-17.62116      18.73648 
1 1 1 -13 15 4  o 195.2472 4.137025 388.1326       16.42572  400.6488       
23.36344  375.8994       23.09779  198.2410 5.795513 192.0097 5.915559 
6.231277       8.281413 
1 1 1 -13 15 5  o 135.9306 4.678130 188.1797       12.93126  176.3474       
17.82357  201.3297       18.78979  131.3047 6.697442 140.4867 6.577114 
-9.181915      9.386914 
1 1 1 -13 15 6  o 182.5901 4.265122 339.4349       15.83654  372.7750       
22.87595  308.7519       21.94550  191.2321 5.882567 174.0127 6.201736 
17.21947       8.547873 
1 1 1 -13 15 7  o 199.2668 4.196846 404.2510       17.00628  440.7079       
24.52552  370.4878       23.60209  207.9363 5.800112 190.6283 6.088518 
17.30798       8.409004 
1 1 1 -13 15 8  o 371.5240 4.387074 1405.462       33.14463  1416.619       
47.06531  1394.485       46.68420  372.7274 6.209523 369.8043 6.207926 
2.923096       8.780462 
1 1 1 -13 15 9  o 95.55754 6.131803 93.49480       11.85239  91.10227       
16.21679  96.23838       17.36577  94.00491 8.577731 96.58394 8.943236 
-2.579025      12.39189 
1 1 1 -13 15 10 o 41.16766 11.91860 17.79627       10.55026  27.57689       
14.45951  6.661249       15.42822  50.82984 13.68504 35.48519 14.16888 
15.34465       19.69867 
1 1 1 -13 15 11 o 119.0066 5.512873 144.3853       13.34137  118.5429       
17.97087  176.1164       19.91340  107.3362 8.297695 131.0746 7.502095 
-23.73840      11.18629 
1 1 1 -13 15 12 o 249.9020 4.323925 636.1119       21.97350  611.2958       
30.25319  663.8212       31.96813  244.7666 6.078096 255.0530 6.163613 
-10.28641      8.656406 
1 1 1 -13 15 13 o 75.34470 8.181142 58.78925       12.33339  46.85947       
17.44116  70.72147       17.44295  66.12784 13.42839 82.25205 10.68058 
-16.12421      17.15799 
1 1 1 -13 15 14 o 125.6982 5.765107 161.2501       14.73628  168.5492       
20.94530  154.0955       20.73675  128.0321 8.086363 122.3438 8.385633 
5.688309       11.64938 
1 1 1 -13 15 15 o 325.4462 4.601218 1079.675       30.45113  1085.887       
42.52221  1073.136       43.62789  325.9876 6.414507 324.0152 6.621362 
1.972351       9.218912 
1 1 1 -13 15 16 o 240.8644 5.377671 592.1171       26.34015  574.1558       
31.80296  631.3508       47.00334  236.9570 6.600041 247.7793 9.328510 
-10.82233      11.42723 
1 1 1 -13 15 17 o 166.5079 5.315072 283.0322       17.99680  251.9270       
24.79885  317.6408       26.15816  156.7333 7.780702 176.0809 7.305394 
-19.34760      10.67277 
1 1 1 -13 15 18 o 175.2570 6.133810 314.1332       21.86035  274.5664       
35.25685  338.8441       27.86260  162.5410 10.72699 181.7492 7.538721 
-19.20824      13.11109 
1 1 1 -13 15 19 o 112.8085 7.302227 131.0810       16.66145  147.6766       
23.89087  115.3666       23.24798  119.1336 9.952728 104.8998 11.06527 
14.23379       14.88277 
1 1 1 -13 15 20 o 41.31900 14.67099 15.91427       15.47105  34.54055       
21.73143  -3.227976      22.03037  56.52044 17.29360 36.08461 15.78659 
20.43584       23.41548 
1 1 1 -13 15 21 o 68.09329 12.63555 50.02953       16.85226  46.55638       
23.59901  53.64374       24.07346  64.64187 17.51640 69.35886 17.16173 
-4.716988      24.52242 
1 1 1 -13 15 22 o 54.19369 16.17397 32.26722       19.18033  56.32632       
23.47484  -16.05055      33.26721  70.89594 16.57893 40.21320 18.34574 
30.68274       24.72705 
1 1 1 -13 15 23 o 45.06410 15.47237 20.85753       17.11884  25.72293       
24.33900  16.09417       24.08243  50.70068 18.35404 45.44133 17.84106 
5.259346       25.59637 
1 1 1 -13 15 24 o 53.08398 15.73069 32.22561       18.19128  10.18952       
26.21656  52.68728       25.26266  43.18405 17.99364 66.56869 18.15875 
-23.38464      25.56387 
1 1 1 -13 15 25 o 28.16502 13.25376 -16.74017      19.51543  -16.60480      
33.07113  -16.81249      24.17290  38.04454 17.68872 31.99602 14.95842 
6.048521       23.16560 
1 1 1 -13 16 1  o 291.1750 4.777167 864.1659       28.28629  862.0145       
49.61315  865.2020       34.43040  290.0656 8.411029 291.1774 5.814776 
-1.111816      10.22531 
1 1 1 -13 16 2  o 86.38203 6.250579 76.55515       10.90564  72.68549       
14.96842  80.93326       15.92148  83.75861 8.925602 88.42300 8.979114 
-4.664391      12.66060 
1 1 1 -13 16 3  o 241.7915 3.985888 595.2952       19.59826  593.8660       
27.64252  596.7399       27.79032  241.3269 5.632750 241.9081 5.649262 
-0.5811615     7.977595 
1 1 1 -13 16 4  o 204.6549 4.063325 426.4599       16.91045  455.8751       
24.43113  399.4055       23.43023  211.4530 5.681700 197.9102 5.821796 
13.54283       8.134803 
1 1 1 -13 16 5  o 24.09222 10.39676 -0.9995380     9.287049  -5.194260      
13.29760  2.994764       12.97604  26.91443 11.99611 30.92935 12.75340 
-4.014921      17.50873 
1 1 1 -13 16 6  o 66.53536 7.817669 45.84382       10.37585  47.41533       
14.52304  44.20538       14.82909  67.11147 11.02458 64.61566 11.71710 
2.495811       16.08825 
1 1 1 -13 16 7  o 72.48020 7.135405 54.14268       10.38058  54.06424       
14.32365  54.22946       15.06512  71.95042 10.06522 71.95904 10.61391 
-0.8621216E-02 14.62750 
1 1 1 -13 16 8  o 133.8230 4.774293 182.4233       12.99245  185.6987       
18.06133  178.9108       18.70370  134.9074 6.583586 132.2080 6.981699 
2.699417       9.596234 
1 1 1 -13 16 9  o 572.6273 5.529208 3342.526       64.38525  3291.026       
89.69859  3397.263       92.47379  567.4926 7.772737 576.5363 7.887523 
-9.043640      11.07377 
1 1 1 -13 16 10 o 289.9599 4.193863 856.1879       24.72884  826.2739       
34.31039  888.5254       35.67312  284.6302 5.927798 295.1551 5.943460 
-10.52493      8.394255 
1 1 1 -13 16 11 o 261.0259 4.190331 693.9124       22.24248  686.9166       
31.01490  701.3203       31.91568  259.5001 5.877348 262.1909 5.985978 
-2.690735      8.388990 
1 1 1 -13 16 12 o 171.2932 4.601223 298.9728       16.02747  314.2423       
22.42679  283.0332       22.91357  175.4505 6.285807 166.4573 6.769217 
8.993210       9.237622 
1 1 1 -13 16 13 o 172.0024 4.734636 301.5470       16.56047  285.6554       
22.55821  320.1226       24.38885  167.2117 6.634167 176.9941 6.776122 
-9.782333      9.483037 
1 1 1 -13 16 14 o 212.9208 5.336456 462.5058       23.10588  480.0611       
41.39435  454.5604       27.84801  216.1588 9.417089 210.9141 6.492877 
5.244736       11.43849 
1 1 1 -13 16 15 o 151.9830 5.299017 235.6979       16.37728  243.7840       
23.07789  227.4943       23.24496  154.3146 7.354237 148.8255 7.707104 
5.489136       10.65290 
1 1 1 -13 16 16 o 205.5647 5.620595 431.5116       23.49536  418.3647       
27.68167  465.3867       44.43461  202.2199 6.731579 212.4090 10.28719 
-10.18913      12.29392 
1 1 1 -13 16 17 o 155.6899 5.465860 247.5550       17.30495  243.8277       
24.05379  251.5539       24.91471  154.1823 7.671805 156.5787 7.824774 
-2.396332      10.95827 
1 1 1 -13 16 18 o 34.39560 14.20716 4.162496       16.14054  11.87098       
25.92524  -0.7164823     20.62542  45.44977 18.28929 35.98247 15.51096 
9.467304       23.98099 
1 1 1 -13 16 19 o 125.8111 6.749215 162.6695       17.20425  151.0668       
24.36069  174.2148       24.30039  120.4440 10.03750 129.6117 9.281149 
-9.167671      13.67082 
1 1 1 -13 16 20 o 150.0111 6.210439 230.4291       18.94511  239.0451       
27.17830  222.2856       26.42256  151.9990 8.830923 146.5338 8.909470 
5.465225       12.54447 
1 1 1 -13 16 21 o 128.2592 10.31889 171.9333       26.68592  0.000000       
0.000000  171.9333       26.68592  ?        ?        128.2592 10.31889 
0.000000       10.31889 
1 1 1 -13 16 22 o 184.9592 6.744061 351.7336       25.36582  347.0612       
31.39358  360.5206       43.05193  183.1570 8.428802 184.9882 11.50146 
-1.831192      14.25932 
1 1 1 -13 16 23 o 84.70730 11.06332 76.87189       18.60194  77.67294       
26.63216  76.10879       25.99370  82.81406 16.39450 82.07229 16.14989 
0.7417679      23.01300 
1 1 1 -13 16 24 o 96.44309 9.828953 99.29572       19.00715  98.87957       
26.62136  99.72844       27.14668  93.79768 14.41841 94.05441 14.67227 
-0.2567215     20.57100 
1 1 1 -13 16 25 o 34.54381 15.07731 0.9120742      19.99129  27.08341       
33.30457  -13.82900      24.99513  51.69255 20.75478 33.30499 15.44853 
18.38756       25.87312 
1 1 1 -13 17 1  o 48.48880 11.87392 25.24628       11.61464  60.16323       
23.39488  13.82520       13.38001  74.50460 15.92425 38.78239 13.65711 
35.72221       20.97852 
1 1 1 -13 17 2  o 200.2739 4.086065 408.5415       16.64106  403.0518       
23.05144  414.5163       24.04821  198.7577 5.703254 201.5444 5.867601 
-2.786728      8.182655 
1 1 1 -13 17 3  o 201.3278 4.007171 412.7741       16.40563  428.9283       
23.31972  396.9445       23.08422  205.0769 5.591846 197.2650 5.754582 
7.811905       8.023961 
1 1 1 -13 17 4  o 164.8005 4.204505 276.5969       14.09045  294.4276       
19.91962  258.7402       19.93419  169.9075 5.765237 159.2437 6.155807 
10.66383       8.433974 
1 1 1 -13 17 5  o 144.2333 4.486564 211.8969       13.15924  216.5302       
18.54287  207.1960       18.67783  145.6793 6.259327 142.4899 6.446010 
3.189453       8.985000 
1 1 1 -13 17 6  o 161.9662 4.295725 267.1532       14.14856  272.5091       
19.78626  261.5491       20.23961  163.4623 5.952435 160.1194 6.215940 
3.342957       8.606357 
1 1 1 -13 17 7  o 157.7339 4.375158 253.3870       14.03363  250.6470       
19.27817  256.4759       20.46837  156.7617 6.047481 158.5487 6.348473 
-1.786987      8.767846 
1 1 1 -13 17 8  o 105.5754 5.467153 113.9282       11.69727  109.3734       
16.18279  118.9118       16.92717  103.1565 7.771544 107.5823 7.790082 
-4.425835      11.00374 
1 1 1 -13 17 9  o 82.87145 6.908463 70.60861       11.53618  71.72184       
15.52339  69.23547       17.24064  83.15092 9.342230 81.43021 10.66818 
1.720711       14.18053 
1 1 1 -13 17 10 o 40.15197 12.08174 16.77022       10.67016  18.52446       
14.39222  14.62917       15.89996  43.14117 14.17999 41.00728 14.83626 
2.133896       20.52284 
1 1 1 -13 17 11 o 105.5808 5.805398 114.0669       12.41643  105.2902       
16.77036  124.7148       18.47164  101.0895 8.229450 110.0622 8.314422 
-8.972633      11.69844 
1 1 1 -13 17 12 o 113.9660 5.558318 132.4999       12.88161  127.0914       
17.59340  138.7500       18.91277  111.1641 7.832852 116.1379 8.057953 
-4.973778      11.23762 
1 1 1 -13 17 13 o 218.4474 4.383945 486.2744       19.47436  500.3698       
27.27529  471.6163       27.81444  221.3669 6.059059 214.8652 6.365798 
6.501724       8.788378 
1 1 1 -13 17 14 o 38.92648 14.05960 13.33039       14.27007  13.91855       
25.18273  13.05221       17.31907  46.24810 18.21652 40.73121 15.34948 
5.516891       23.82117 
1 1 1 -13 17 15 o 219.6371 4.565081 491.8531       20.38945  520.1304       
28.92177  463.9125       28.74907  225.5796 6.304834 212.9795 6.637960 
12.60010       9.154968 
1 1 1 -13 17 16 o 58.68063 13.21683 37.24810       15.39249  47.98750       
18.40668  12.27225       28.07022  66.58356 14.03661 47.09262 19.00252 
19.49093       23.62461 
1 1 1 -13 17 17 o 194.3383 4.954443 385.4786       19.57964  342.9714       
26.96574  432.8788       28.47548  182.9122 7.249668 205.5912 6.811066 
-22.67897      9.947276 
1 1 1 -13 17 18 o 142.9839 6.765041 209.4853       19.67020  179.9507       
31.64896  228.0744       25.10861  130.9299 12.02116 148.6709 8.338763 
-17.74103      14.63022 
1 1 1 -13 17 19 o 59.72002 12.70670 38.64645       14.95727  43.81969       
21.19659  33.51577       21.10922  62.97987 16.39186 55.69819 17.04459 
7.281685       23.64765 
1 1 1 -13 17 20 o 199.8620 5.553700 408.5419       22.57168  401.0668       
31.53757  416.3921       32.31914  197.4467 7.854651 201.1700 7.900328 
-3.723312      11.14050 
1 1 1 -13 17 21 o 53.68237 15.09681 31.64514       17.17022  40.93306       
24.18902  22.21247       24.37678  60.72192 18.17275 49.39835 18.28946 
11.32356       25.78281 
1 1 1 -13 17 22 o 178.0805 6.780576 326.3353       24.55468  341.1012       
30.55966  299.4352       41.24724  181.5346 8.278233 167.9940 12.15608 
13.54062       14.70712 
1 1 1 -13 17 23 o 55.42252 15.07238 34.75686       17.43598  24.59444       
24.22819  45.67419       25.11195  49.68707 18.26235 62.62945 18.46187 
-12.94239      25.96833 
1 1 1 -13 17 24 o 39.55635 15.39300 13.12307       17.80165  39.18557       
25.23274  -12.70358      25.11831  57.42930 18.77076 34.12013 15.70516 
23.30917       24.47434 
1 1 1 -13 17 25 f 30.42996 13.97135 -9.330890      19.70849  9.872261       
34.01896  -19.03217      24.17961  45.39719 19.74392 31.20801 14.70609 
14.18918       24.61892 
1 1 1 -13 18 1  o 150.3137 4.815998 230.3863       14.72096  234.1086       
30.26249  229.2325       16.84875  150.5094 9.943604 149.8690 5.528462 
0.6403198      11.37713 
1 1 1 -13 18 2  o 117.5614 4.870174 140.9026       11.64288  142.0326       
15.89633  139.5950       17.10060  117.7078 6.668506 116.6036 7.247739 
1.104141       9.848791 
1 1 1 -13 18 3  o 178.0067 4.075514 322.7422       14.75265  301.6545       
20.12803  347.2202       21.68575  171.9432 5.756584 184.4702 5.780919 
-12.52696      8.158264 
1 1 1 -13 18 4  o 312.9422 4.101692 997.4202       26.10229  1039.064       
37.40559  957.8950       36.44170  319.1478 5.763592 306.4138 5.848424 
12.73395       8.211154 
1 1 1 -13 18 5  o 21.63340 9.740677 -4.523204      9.012754  -2.537446      
12.31685  -6.811994      13.22329  27.03060 11.81532 26.06936 11.76264 
0.9612446      16.67217 
1 1 1 -13 18 6  o 60.81984 7.999841 38.47593       9.654088  50.60473       
13.06330  23.88014       14.33039  69.63353 9.471086 47.58648 13.92349 
22.04705       16.83939 
1 1 1 -13 18 7  o 70.95528 7.131824 51.94364       10.15116  48.69973       
13.53189  56.11861       15.35148  68.17548 10.06319 73.17114 10.62796 
-4.995659      14.63630 
1 1 1 -13 18 8  o 66.47873 7.571680 45.75336       10.05329  47.54999       
13.50786  43.52243       15.05218  67.32310 10.18493 63.98722 12.00898 
3.335876       15.74638 
1 1 1 -13 18 9  o 369.1950 4.409328 1388.524       33.10394  1385.417       
46.45097  1391.731       47.18984  368.4423 6.199747 369.2620 6.284381 
-0.8197327     8.827814 
1 1 1 -13 18 10 o 277.4347 4.164546 783.9861       23.49524  761.4808       
32.25426  809.4279       34.29403  273.1967 5.805774 281.6358 5.987965 
-8.439056      8.340427 
1 1 1 -13 18 11 o 37.91863 12.16139 14.51972       10.62220  -2.469355      
14.47408  34.34943       15.63739  29.48247 12.84975 56.44921 13.74976 
-26.96674      18.81946 
1 1 1 -13 18 12 o 69.53023 8.227706 50.21189       11.40774  49.37824       
15.70131  51.14396       16.60234  68.22867 11.74004 69.35803 12.21753 
-1.129364      16.94393 
1 1 1 -13 18 13 o 87.35543 6.994250 78.54636       12.32040  55.75085       
16.80661  105.0267       18.11412  72.54637 11.79774 100.7572 8.933399 
-28.21084      14.79839 
1 1 1 -13 18 14 o 166.6750 5.778502 283.6979       19.58561  330.4841       
36.85163  265.2802       23.12144  178.8009 10.17737 161.0012 7.062110 
17.79977       12.38758 
1 1 1 -13 18 15 o 163.4140 5.800529 272.7976       19.27561  289.8149       
23.95918  241.5731       32.45449  168.2535 7.002554 152.6153 10.52172 
15.63814       12.63892 
1 1 1 -13 18 16 o 36.61440 14.03688 9.825534       14.64027  14.61953       
18.09980  0.7536175      24.89859  42.09398 15.72507 40.07105 17.15319 
2.022926       23.27036 
1 1 1 -13 18 17 o 89.26997 7.947536 82.49355       14.27654  78.16941       
20.03904  86.95055       20.34457  85.96722 11.77211 90.88950 11.24750 
-4.922272      16.28155 
1 1 1 -13 18 18 o 97.42604 8.733400 98.56183       17.11886  82.80733       
27.71029  108.2857       21.77000  86.99712 16.26125 101.6497 10.69204 
-14.65260      19.46145 
1 1 1 -13 18 19 o 135.8572 6.419245 189.1167       17.73447  184.7955       
24.99792  193.4953       25.16355  133.4369 9.270009 136.6021 9.110912 
-3.165161      12.99776 
1 1 1 -13 18 20 o 204.6769 5.488820 428.5184       22.84542  447.8929       
32.43435  409.4421       32.18373  208.6663 7.643661 199.4186 7.936321 
9.247681       11.01865 
1 1 1 -13 18 21 o 148.0240 7.836516 226.5184       23.50484  267.0218       
43.49490  209.8107       27.93521  158.2036 13.65357 141.8027 9.746783 
16.40089       16.77557 
1 1 1 -13 18 22 o 167.3826 7.177980 288.9897       24.43228  278.9239       
30.32705  307.6043       41.24125  163.4736 9.159739 170.1580 11.99548 
-6.684372      15.09279 
1 1 1 -13 18 23 o 130.2469 9.069980 178.4053       23.87297  187.6241       
29.26416  160.0650       41.27637  132.5970 10.95102 118.0564 17.74208 
14.54063       20.84961 
1 1 1 -13 18 24 o 70.94790 13.47419 57.05481       18.72900  56.32300       
27.09280  57.72462       25.91974  67.52263 18.95486 68.74365 18.24020 
-1.221024      26.30574 
1 1 1 -13 18 25 o 74.99021 14.16234 65.54482       20.80531  76.37223       
34.53833  59.37831       26.06505  75.04537 21.51797 68.41971 18.35400 
6.625664       28.28237 
1 1 1 -13 19 1  o 203.9302 4.244826 423.8516       17.60325  417.4418       
34.94150  426.0317       20.37826  201.6607 8.520575 204.3732 4.903338 
-2.712479      9.830712 
1 1 1 -13 19 2  o 144.0720 4.391780 211.5445       12.86683  219.6119       
17.49285  202.0346       18.99241  146.6586 5.865455 140.5840 6.643436 
6.074615       8.862212 
1 1 1 -13 19 3  o 71.09732 6.747283 52.12014       9.638285  60.67103       
13.35129  42.81433       13.92819  76.42854 8.748022 63.54048 11.18799 
12.88806       14.20208 
1 1 1 -13 19 4  o 139.9657 4.435879 199.6118       12.62562  202.9425       
17.81470  196.2505       17.89623  140.9849 6.213758 138.6284 6.348310 
2.356506       8.883233 
1 1 1 -13 19 5  o 37.29271 11.28855 14.42492       9.294750  5.286310       
12.56571  25.46624       13.81203  31.92567 12.77315 48.83407 13.47084 
-16.90840      18.56385 
1 1 1 -13 19 6  o 215.4888 4.035653 472.9196       17.68439  461.7540       
24.43279  485.2055       25.62907  212.7619 5.647131 218.0812 5.779140 
-5.319321      8.080133 
1 1 1 -13 19 7  o 201.8718 4.032278 415.0345       16.55303  439.3647       
23.35110  390.4593       23.46839  207.5547 5.532523 195.6214 5.899503 
11.93332       8.087827 
1 1 1 -13 19 8  o 105.6824 5.383980 114.1900       11.53231  115.4906       
15.30995  112.4841       17.53356  106.0647 7.139810 104.4872 8.320895 
1.577431       10.96422 
1 1 1 -13 19 9  o 48.79144 10.58937 25.41896       10.20503  36.34162       
13.65208  11.58674       15.36316  58.32569 11.91302 38.50783 14.46748 
19.81786       18.74108 
1 1 1 -13 19 10 o 412.0844 4.635972 1730.676       38.84887  1730.789       
54.40048  1730.558       55.49714  411.6312 6.498948 411.5648 6.631030 
0.6637573E-01  9.284766 
1 1 1 -13 19 11 o 25.17635 10.85300 -0.8955456     10.09821  -15.81142      
13.58489  17.52432       15.09646  23.05949 10.91393 42.59194 14.53133 
-19.53246      18.17342 
1 1 1 -13 19 12 o 135.7389 5.135984 187.9453       14.17684  220.5858       
19.63211  152.3765       20.49381  146.9035 6.571784 121.6237 8.336463 
25.27988       10.61532 
1 1 1 -13 19 13 f 92.18775 6.935358 87.43385       12.90624  103.2177       
17.63556  69.23188       18.93835  99.88356 8.771314 80.97370 11.85219 
18.90986       14.74484 
1 1 1 -13 19 14 o 81.75159 9.668539 69.74958       15.76215  72.00915       
28.98638  68.80093       18.78170  80.87711 18.07882 80.68948 11.79462 
0.1876373      21.58604 
1 1 1 -13 19 15 o 194.4268 5.412183 386.0188       21.39834  362.8412       
25.73747  437.9078       38.50961  188.2796 6.722196 206.2500 9.181713 
-17.97035      11.37945 
1 1 1 -13 19 16 o 148.7604 6.221291 226.3942       18.81998  223.9760       
22.81079  231.5495       33.30594  147.5448 7.628737 149.0743 11.06566 
-1.529449      13.44048 
1 1 1 -13 19 17 o 264.7437 4.746797 715.4175       25.55510  707.8564       
36.31044  722.8387       35.97266  262.8072 6.794272 265.6150 6.659914 
-2.807800      9.514021 
1 1 1 -13 19 18 o 190.6418 5.240695 371.4146       20.31695  379.4325       
28.66586  363.3217       28.79962  192.2236 7.333424 188.0478 7.531249 
4.175842       10.51184 
1 1 1 -13 19 19 o 154.6553 6.048595 244.9254       19.02264  254.8164       
26.46469  234.3524       27.36189  157.0429 8.316627 150.3839 8.988483 
6.659058       12.24578 
1 1 1 -13 19 20 o 302.7237 5.064586 936.8116       31.17754  894.3564       
42.91040  984.2865       45.37624  294.9978 7.153069 309.4473 7.210916 
-14.44946      10.15695 
1 1 1 -13 19 21 o 75.12694 13.92972 61.75581       20.49727  65.89955       
36.53231  59.85204       24.76213  75.02848 22.30571 72.86922 17.01867 
2.159264       28.05673 
1 1 1 -13 19 22 o 57.26310 15.72166 37.01165       18.86513  25.45116       
23.33193  58.83977       32.06053  50.14548 17.99405 70.51740 20.88035 
-20.37192      27.56401 
1 1 1 -13 19 23 o 61.46656 16.57925 44.03945       21.19914  60.66573       
25.69862  8.630204       37.50341  71.65826 17.73207 48.34683 20.87808 
23.31142       27.39198 
1 1 1 -13 19 24 o 57.84029 14.93821 39.29078       17.69329  18.39970       
25.13939  59.79644       24.90642  45.42586 18.10272 70.06642 17.52505 
-24.64056      25.19595 
1 1 1 -13 20 1  o 81.95895 7.833858 69.50095       12.89738  102.8645       
24.33900  56.47470       15.20815  98.79954 12.38650 73.24952 10.51109 
25.55002       16.24526 
1 1 1 -13 20 2  o 206.1026 5.745875 433.7758       24.08192  0.000000       
0.000000  433.7758       24.08192  ?        ?        206.1026 5.745875 
0.000000       5.745875 
1 1 1 -13 20 3  o 173.0962 4.064807 305.2667       14.30800  301.8646       
19.81752  308.9711       20.67909  171.9642 5.667087 173.9547 5.845801 
-1.990448      8.141822 
1 1 1 -13 20 4  o 106.8961 4.908206 116.5110       10.66930  127.0459       
15.28852  106.5095       14.89646  111.2779 6.788713 101.7844 7.244266 
9.493469       9.928041 
1 1 1 -13 20 5  o 28.66268 10.90283 5.968700       8.789553  14.35818       
11.94721  -3.929636      12.97717  38.41555 12.92797 27.07680 11.97081 
11.33875       17.61910 
1 1 1 -13 20 6  o 75.41058 9.539384 59.29932       14.30147  0.000000       
0.000000  59.29932       14.30147  ?        ?        75.41058 9.539384 
0.000000       9.539384 
1 1 1 -13 20 7  o 135.3136 4.666844 186.6118       12.84151  204.0268       
17.84174  167.8936       18.49727  141.3574 6.206793 127.9483 7.137653 
13.40907       9.458879 
1 1 1 -13 20 8  o 112.2872 5.196351 128.5811       11.86534  150.0253       
15.95059  102.0132       17.75417  121.0151 6.505530 99.34706 8.881743 
21.66799       11.00942 
1 1 1 -13 20 9  o 100.0307 5.736876 102.4517       11.62095  100.1969       
15.49726  105.3484       17.56535  98.62885 7.790212 101.0026 8.635100 
-2.373756      11.62980 
1 1 1 -13 20 10 o 81.62503 6.686915 68.54950       11.00202  73.23573       
14.43420  62.05201       16.99628  84.08266 8.561225 76.78297 11.21607 
7.299690       14.11010 
1 1 1 -13 20 11 o 69.78046 7.955524 50.52837       11.08716  43.46380       
14.83648  59.46302       16.68504  63.85147 11.86308 75.09338 11.27455 
-11.24190      16.36606 
1 1 1 -13 20 12 o 69.93573 8.203754 50.83516       11.44548  53.82261       
15.46103  47.21302       17.02437  71.40303 11.00135 66.30981 13.08995 
5.093224       17.09902 
1 1 1 -13 20 13 o 115.5276 5.748207 136.3225       13.50422  113.0808       
18.36719  163.6692       19.92329  104.5611 8.717628 126.1092 7.807353 
-21.54813      11.70264 
1 1 1 -13 20 14 o 37.17922 13.81145 11.36721       13.92421  24.49669       
25.44626  5.755595       16.63582  51.71171 18.75971 35.76535 14.55766 
15.94636       23.74557 
1 1 1 -13 20 15 o 96.99311 7.927324 97.21658       15.49908  104.9118       
19.15748  82.63654       26.36976  100.4459 9.491450 87.39285 15.40082 
13.05302       18.09069 
1 1 1 -13 20 16 f 44.68208 14.17366 20.76300       14.45861  14.35748       
17.59145  34.09945       25.38310  41.53019 15.50499 57.05608 18.83525 
-15.52589      24.39613 
1 1 1 -13 20 17 o 80.87183 9.883749 68.62614       15.91613  123.1175       
26.76641  38.81964       19.79620  107.8848 12.42771 59.39496 16.02159 
48.48980       20.27657 
1 1 1 -13 20 18 o 144.1563 6.000734 212.7671       17.59096  216.7361       
25.03273  208.8951       24.72487  144.7403 8.542726 142.0735 8.598447 
2.666794       12.12070 
1 1 1 -13 20 19 o 44.17150 14.57900 19.99662       15.20777  28.36600       
21.34399  11.36654       21.67386  52.09573 17.27533 42.23481 16.81574 
9.860928       24.10822 
1 1 1 -13 20 20 o 36.07809 14.20689 8.591641       15.31303  0.5658668E-01  
21.42247  17.50910       21.89712  36.69297 15.81255 45.54374 17.23631 
-8.850773      23.39075 
1 1 1 -13 20 21 o 65.53745 15.93861 48.27885       21.03723  24.66352       
36.48432  60.04121       25.74875  55.15952 21.86279 72.61420 17.61716 
-17.45469      28.07750 
1 1 1 -13 20 22 o 39.81065 15.15618 13.37326       16.99411  16.14478       
23.84470  10.51228       24.22646  45.12194 17.74092 42.64607 17.48667 
2.475868       24.91032 
1 1 1 -13 20 23 o 31.34217 14.21566 -7.783990      19.60836  -12.69466      
24.10199  1.828642       33.72123  33.44676 15.39111 44.03002 19.38982 
-10.58326      24.75583 
1 1 1 -13 20 24 o 72.59268 12.82577 59.74754       18.24093  49.52037       
26.04613  69.59191       25.55404  62.68140 18.87971 75.72267 17.01052 
-13.04127      25.41262 
1 1 1 -13 21 1  o 190.4063 4.293061 369.6488       16.62263  378.3538       
34.71045  367.0583       18.93513  191.7606 8.901218 189.6570 4.909619 
2.103561       10.16543 
1 1 1 -13 21 2  o 127.0979 5.518464 164.9532       14.26291  194.3127       
28.13245  154.7957       16.54724  136.8833 10.17943 122.8276 6.649649 
14.05579       12.15889 
1 1 1 -13 21 3  o 123.4678 4.578724 155.4310       11.49608  169.3550       
16.49455  142.2785       16.03116  128.7197 6.301504 117.7511 6.722851 
10.96861       9.214428 
1 1 1 -13 21 4  o 65.22405 7.375486 44.09707       9.610612  45.09686       
13.37751  43.03066       13.81601  65.37558 10.41177 63.68480 11.07014 
1.690781       15.19714 
1 1 1 -13 21 5  o 199.5975 4.679262 406.1555       18.99258  408.4782       
22.18633  399.7850       36.74358  200.0718 5.453159 197.2819 9.158889 
2.789856       10.65937 
1 1 1 -13 21 6  o 202.8376 4.675206 419.4236       19.28415  416.7437       
22.76109  426.2408       36.30256  202.0822 5.538773 203.8132 8.758980 
-1.731003      10.36329 
1 1 1 -13 21 7  o 66.39063 7.385628 45.65301       9.802157  41.68098       
13.15397  50.61296       14.69905  62.76113 10.68972 69.29061 10.78252 
-6.529484      15.18331 
1 1 1 -13 21 8  o 180.6032 4.174901 332.3381       15.33286  353.4475       
21.24062  309.3696       22.15622  186.0939 5.612853 174.0239 6.260880 
12.07002       8.408492 
1 1 1 -13 21 9  o 278.7738 4.142588 791.8439       23.48417  779.4664       
32.33088  805.6683       34.16851  276.3166 5.753857 280.8764 5.982178 
-4.559814      8.300200 
1 1 1 -13 21 10 o 394.0901 4.538841 1583.246       36.37407  1606.469       
51.41551  1559.978       51.46593  396.4655 6.377306 390.6545 6.478517 
5.811005       9.090721 
1 1 1 -13 21 11 o 59.47331 9.207702 37.19343       10.77602  38.15176       
14.36645  35.96068       16.29410  59.61936 12.25921 57.60344 14.03833 
2.015919       18.63768 
1 1 1 -13 21 12 o 154.7774 4.723887 244.3342       14.86820  242.6608       
20.57003  246.1650       21.51544  154.0240 6.567426 155.0956 6.821806 
-1.071579      9.469326 
1 1 1 -13 21 13 o 79.18412 7.687843 64.89272       12.22322  63.36153       
16.54109  66.73466       18.14213  77.58209 10.77554 79.46043 11.56702 
-1.878334      15.80848 
1 1 1 -13 21 14 o 264.6285 5.102287 714.8992       27.45700  713.5070       
33.50675  717.7449       47.90496  264.1080 6.238776 264.0647 8.921107 
0.4327393E-01  10.88616 
1 1 1 -13 21 15 o 253.6918 4.544821 656.6266       23.44631  642.8043       
32.53950  671.5524       33.81336  250.5914 6.385478 256.1046 6.492613 
-5.513199      9.106500 
1 1 1 -13 21 16 o 90.84295 8.966155 85.89992       16.34729  73.41451       
19.96571  111.2929       28.47344  83.07210 12.18075 101.9666 14.11002 
-18.89454      18.64037 
1 1 1 -13 21 17 o 84.17006 9.527312 74.16692       16.02004  57.39830       
25.84546  84.62897       20.41475  71.64217 17.81541 89.43303 11.49103 
-17.79086      21.19983 
1 1 1 -13 21 18 o 154.0054 5.828766 242.8110       18.25425  241.6858       
25.27359  244.0381       26.39364  152.9407 8.155739 153.5853 8.483700 
-0.6446075     11.76814 
1 1 1 -13 21 19 o 95.71422 8.564810 95.32012       16.49418  85.19733       
22.40389  107.3004       24.37289  89.21806 12.70778 100.4917 12.17533 
-11.27361      17.59905 
1 1 1 -13 21 20 o 37.71179 14.52372 10.78446       15.72057  12.66509       
22.31322  8.930887       22.15213  43.09597 17.09241 41.14189 16.77838 
1.954086       23.95129 
1 1 1 -13 21 21 o 65.17866 15.66849 47.86272       20.51104  54.60354       
37.83516  45.05713       24.40908  68.57488 23.00654 62.79062 18.11438 
5.784260       29.28194 
1 1 1 -13 21 22 o 96.20299 9.560802 98.00358       18.45623  99.92748       
26.15094  96.09428       26.05145  95.12564 13.93172 93.10849 14.20931 
2.017151       19.89968 
1 1 1 -13 21 23 o 70.26743 15.10651 57.18631       20.94394  40.62042       
25.90267  88.46751       35.59417  58.13932 19.01906 83.63010 20.96861 
-25.49078      28.30913 
1 1 1 -13 21 24 o 104.7905 13.64579 125.4431       28.38872  0.000000       
0.000000  125.4431       28.38872  ?        ?        104.7905 13.64579 
0.000000       13.64579 
1 1 1 -13 22 1  o 66.02799 8.281661 45.49463       10.87516  59.42752       
23.56064  41.72242       12.25926  73.58633 16.18491 62.83223 9.924207 
10.75410       18.98529 
1 1 1 -13 22 2  f 252.2604 4.143034 648.7077       21.25294  711.5392       
44.77783  630.4376       24.14600  263.1445 8.367915 248.5765 4.776763 
14.56807       9.635324 
1 1 1 -13 22 3  o 90.52425 5.641466 84.02083       10.33340  89.54581       
14.28783  77.96151       14.96280  93.15622 7.608721 86.69331 8.600945 
6.462914       11.48342 
1 1 1 -13 22 4  o 175.6029 4.816695 314.5314       17.20015  314.0824       
20.10425  315.7575       33.22260  175.3747 5.637280 174.9320 9.373361 
0.4427338      10.93795 
1 1 1 -13 22 5  o 23.19724 10.43062 -4.883265      10.29374  6.623972       
11.57033  -48.56829      22.54377  31.84535 12.40497 24.93345 12.30538 
6.911900       17.47300 
1 1 1 -13 22 6  o 72.87707 7.738354 55.01850       11.29263  56.38379       
13.03414  50.90884       22.61371  73.57264 8.892375 68.25315 16.47960 
5.319489       18.72569 
1 1 1 -13 22 7  o 49.74881 11.03483 26.53616       10.87123  19.46877       
12.41842  49.71589       22.49009  43.10715 13.04818 67.44974 16.52648 
-24.34259      21.05658 
1 1 1 -13 22 8  o 102.0348 5.412532 106.5554       11.19037  109.7168       
14.90802  102.4752       16.93649  103.2949 7.141079 99.58401 8.442895 
3.710884       11.05791 
1 1 1 -13 22 9  o 179.8134 4.329905 329.5682       15.83259  333.6172       
21.75546  325.0092       23.08497  180.7197 5.919858 178.3083 6.366579 
2.411392       8.693563 
1 1 1 -13 22 10 o 109.2214 5.494652 122.0987       12.16495  132.1980       
16.60408  110.3959       17.87365  113.3935 7.238479 103.3340 8.583562 
10.05949       11.22823 
1 1 1 -13 22 11 f 56.10717 9.725823 33.33394       10.69462  21.72323       
14.03649  49.40173       16.51228  45.47163 13.89617 67.96689 12.40405 
-22.49525      18.62697 
1 1 1 -13 22 12 o 25.18232 10.90114 -1.179083      10.27425  7.540386       
13.59985  -12.77201      15.68143  34.24806 13.41894 26.46865 12.26295 
7.779406       18.17823 
1 1 1 -13 22 13 o 109.2611 6.024245 122.4326       13.33332  125.9520       
18.32339  118.4718       19.43829  110.4239 8.218878 106.9009 9.026202 
3.522957       12.20747 
1 1 1 -13 22 14 o 49.16410 13.33584 26.13783       13.67051  27.94453       
16.71356  22.48610       23.76163  51.00345 15.06916 49.68257 18.11210 
1.320881       23.56115 
1 1 1 -13 22 15 o 126.9175 5.790821 164.7498       14.94559  154.5219       
20.90291  175.4476       21.37759  122.2271 8.461902 130.3642 8.104087 
-8.137108      11.71665 
1 1 1 -13 22 16 o 95.46622 8.645986 94.71188       16.60266  99.65980       
20.49698  85.27180       28.31176  97.46001 10.50839 88.13364 16.40054 
9.326363       19.47829 
1 1 1 -13 22 17 o 99.85089 8.354897 103.4864       16.80872  113.6411       
26.51557  96.66409       21.73355  103.2813 12.90667 95.63698 11.39979 
7.644295       17.22026 
1 1 1 -13 22 18 o 51.25875 13.71976 28.74113       14.58368  25.27188       
20.62247  32.21170       20.62640  49.78207 16.98392 54.48606 16.87772 
-4.703995      23.94392 
1 1 1 -13 22 19 f 202.1413 5.414863 418.2049       22.25840  413.6350       
31.14448  422.9760       31.82274  200.3828 7.643093 202.6048 7.723896 
-2.222015      10.86625 
1 1 1 -13 22 20 o 44.28172 14.91585 20.11593       15.90400  14.61698       
21.96486  26.17597       23.05825  43.79716 17.08311 50.85107 17.92618 
-7.053913      24.76249 
1 1 1 -13 22 21 o 106.4107 10.13527 119.7213       21.66666  82.22252       
37.97274  137.8230       26.38289  82.38653 22.17545 113.5953 11.58324 
-31.20879      25.01843 
1 1 1 -13 22 22 o 109.1766 8.618946 125.3862       18.97968  145.1558       
28.13653  108.8795       25.70995  115.6987 12.13981 99.59650 13.00467 
16.10216       17.79034 
1 1 1 -13 22 23 o 52.93267 15.34631 32.87349       17.48024  34.21576       
25.37148  31.66061       24.11772  53.91552 18.81757 52.27778 18.34105 
1.637741       26.27727 
1 1 1 -13 22 24 o 56.54286 16.27649 39.38490       19.72655  94.72647       
35.01814  13.65968       23.87519  84.34064 20.59581 41.82374 17.27755 
42.51690       26.88310 
1 1 1 -13 23 1  o 37.90015 11.70019 14.95612       9.922019  -18.24192      
22.00749  23.42560       11.11585  31.03179 14.42867 46.55973 11.74223 
-15.52794      18.60286 
1 1 1 -13 23 2  o 23.31849 10.41890 -4.061800      10.09710  -38.78394      
21.87568  5.338166       11.38208  26.02871 12.69508 30.66546 12.19333 
-4.636747      17.60233 
1 1 1 -13 23 3  o 38.00444 12.03578 14.82421       10.42912  20.35709       
11.96291  -2.697822      21.28893  43.73249 12.70023 35.76553 15.58616 
7.966965       20.10532 
1 1 1 -13 23 4  o 118.2946 5.708568 142.9705       13.73231  134.7740       
15.69601  169.7175       28.35390  114.5461 6.768467 127.5986 11.03601 
-13.05250      12.94626 
1 1 1 -13 23 5  o 93.30418 6.592163 89.50484       12.42729  92.91214       
14.10208  77.66151       26.29151  94.94502 7.361531 84.63536 15.85882 
10.30966       17.48412 
1 1 1 -13 23 6  o 27.08975 11.23491 2.040253       10.15256  1.854160       
11.30759  2.814098       23.05856  28.29249 11.80539 39.57171 16.70581 
-11.27922      20.45608 
1 1 1 -13 23 7  o 135.8149 5.374510 188.3083       14.84355  187.7315       
17.05745  190.1079       30.12805  135.5177 6.189658 135.1576 11.05856 
0.3601074      12.67295 
1 1 1 -13 23 8  o 162.9863 4.365179 270.8244       14.46786  257.4596       
19.35397  287.7526       21.78184  158.7255 5.996144 167.7471 6.385400 
-9.021606      8.759399 
1 1 1 -13 23 9  o 216.1230 4.101120 476.0692       18.02416  464.2081       
24.65446  489.6865       26.41670  213.1771 5.687265 218.9043 5.934347 
-5.727188      8.219577 
1 1 1 -13 23 10 o 136.7342 4.671412 190.7085       12.98903  196.2209       
17.57814  184.0786       19.27782  138.5222 6.240252 133.8703 7.106907 
4.651855       9.457741 
1 1 1 -13 23 11 o 84.67056 6.599792 73.81206       11.27380  75.32710       
15.14047  71.92672       16.88969  85.11833 8.877755 82.85012 10.24303 
2.268211       13.55486 
1 1 1 -13 23 12 o 82.75322 7.106160 70.69024       11.84235  78.47774       
16.33522  62.06353       17.19288  86.76026 9.409582 76.56351 11.38960 
10.19675       14.77374 
1 1 1 -13 23 13 o 164.5987 4.911160 276.5748       16.43849  299.9126       
22.36642  249.1595       24.24172  171.1593 6.426056 155.7843 7.652237 
15.37503       9.992543 
1 1 1 -13 23 14 o 76.07400 9.417106 60.62439       14.25690  52.43019       
17.35036  77.65876       25.01603  69.82820 12.68600 84.58347 15.09777 
-14.75526      19.71998 
1 1 1 -13 23 15 o 285.5204 5.314932 833.2913       30.85932  835.4622       
55.46365  832.3179       37.13863  284.1999 9.596947 285.0123 6.407827 
-0.8124390     11.53957 
1 1 1 -13 23 16 o 128.0168 6.887367 168.6911       17.86372  186.4448       
28.15173  156.7237       23.11316  133.5764 10.44712 122.7481 9.329442 
10.82827       14.00645 
1 1 1 -13 23 17 o 182.3162 5.163566 339.8795       19.14372  334.8570       
26.81318  345.1018       27.34116  180.4553 7.306800 183.1857 7.339623 
-2.730438      10.35661 
1 1 1 -13 23 18 o 42.87716 14.18305 18.84621       14.39000  -3.333193      
19.75890  43.89633       20.99872  33.90073 14.88778 62.72497 16.31014 
-28.82425      22.08318 
1 1 1 -13 23 19 o 93.32740 8.623133 90.85931       16.18033  127.0338       
23.30011  57.16723       22.48645  109.8535 10.56033 71.60058 15.86147 
38.25294       19.05536 
1 1 1 -13 23 20 o 174.7813 5.937373 313.6185       21.10283  354.9708       
31.08889  278.2850       28.73744  185.1187 8.258546 163.5392 8.672208 
21.57951       11.97542 
1 1 1 -13 23 21 o 102.4643 10.58648 111.7846       21.74050  98.04108       
40.83012  117.2229       25.68422  89.33002 22.49120 104.1216 12.37255 
-14.79156      25.66971 
1 1 1 -13 23 22 o 78.59738 11.60239 67.56644       17.98657  64.45757       
25.97218  70.43159       24.93331  73.64629 17.58497 77.82498 16.27796 
-4.178696      23.96254 
1 1 1 -13 23 23 o 46.62259 15.64076 24.84257       17.48672  9.603315       
25.27165  38.84183       24.22168  41.33086 17.47100 56.22635 18.39149 
-14.89549      25.36696 
1 1 1 -13 23 24 o 57.05403 16.20866 40.53984       19.68862  90.29479       
34.69323  16.90307       23.91226  81.26331 20.88162 43.00529 17.47319 
38.25803       27.22783 
1 1 1 -13 24 1  o 84.36996 6.736493 73.43465       11.46138  49.24491       
24.19785  80.43121       13.01377  66.51985 17.61143 88.21150 7.320978 
-21.69165      19.07247 
1 1 1 -13 24 2  o 60.19182 11.68556 38.92362       13.78763  22.39948       
22.41768  48.97703       17.48589  48.95372 17.63041 67.29677 13.24900 
-18.34304      22.05374 
1 1 1 -13 24 3  o 32.03272 11.88437 8.391871       10.30314  15.01424       
11.59005  -16.55943      22.49703  38.65492 12.72586 31.99122 14.77444 
6.663698       19.49953 
1 1 1 -13 24 4  o 202.7797 3.916007 419.1185       16.14802  415.3697       
22.48699  423.1100       23.20335  201.6332 5.484258 203.4810 5.607578 
-1.847824      7.843597 
1 1 1 -13 24 5  o 133.3118 4.389995 181.2424       11.90102  185.7469       
16.38000  176.2056       17.32052  134.7865 5.976076 131.2139 6.491273 
3.572647       8.823271 
1 1 1 -13 24 6  o 59.11179 7.880010 36.47891       9.236304  29.40368       
12.25093  45.79693       14.05919  52.22197 11.81264 65.69160 10.90698 
-13.46964      16.07796 
1 1 1 -13 24 7  o 50.29036 10.74271 27.12786       10.65258  32.55977       
12.28822  10.70056       21.36957  55.08554 11.34751 41.99115 16.70404 
13.09439       20.19384 
1 1 1 -13 24 8  o 99.69949 6.482322 102.1350       13.07101  102.7250       
14.79744  100.0398       27.88461  99.84203 7.339680 96.64425 14.64760 
3.197777       16.38363 
1 1 1 -13 24 9  o 118.2530 4.972877 142.7263       11.95835  136.6649       
16.08106  150.2245       17.88588  115.3117 6.889383 120.8365 7.313265 
-5.524734      10.04726 
1 1 1 -13 24 10 o 66.25354 7.969909 45.70780       10.52234  45.48842       
13.80645  46.01181       16.25268  65.48364 10.74055 65.39951 12.67847 
0.8413696E-01  16.61635 
1 1 1 -13 24 11 o 118.7739 5.222208 144.0759       12.61323  149.2731       
17.36756  138.2750       18.34844  120.4628 7.121451 115.7801 7.839359 
4.682693       10.59106 
1 1 1 -13 24 12 o 98.90183 6.086045 100.4516       12.18085  92.89219       
16.60314  109.2629       17.92539  94.58660 8.730479 102.6598 8.667554 
-8.073151      12.30235 
1 1 1 -13 24 13 o 50.86312 12.58073 28.08417       12.94034  26.11695       
15.66798  32.30567       22.95194  49.30793 14.59608 55.26532 17.89259 
-5.957397      23.09092 
1 1 1 -13 24 14 o 75.21013 8.466386 58.99410       12.72353  73.84550       
17.56341  42.59227       18.45743  83.73114 10.54918 62.26443 14.79577 
21.46671       18.17141 
1 1 1 -13 24 15 o 132.8627 6.918165 181.6867       18.62694  155.2129       
34.29551  192.7640       22.18422  120.3717 14.28988 136.5829 8.022451 
-16.21129      16.38781 
1 1 1 -13 24 16 o 41.71589 14.10621 17.43132       14.22485  31.72711       
22.15813  7.409363       18.55262  54.42822 17.57617 37.92457 15.39754 
16.50365       23.36677 
1 1 1 -13 24 17 o 101.5929 7.481994 106.8079       15.34847  110.8060       
21.31427  102.5017       22.12019  102.6885 10.34802 98.43655 11.25267 
4.251938       15.28738 
1 1 1 -13 24 18 o 99.51846 7.870716 102.7668       15.79832  103.9727       
21.80523  101.4344       22.92090  99.17403 10.99729 97.67362 11.77751 
1.500404       16.11366 
1 1 1 -13 24 19 f 125.8078 6.912726 163.3771       17.61731  140.1703       
24.31060  189.0426       25.56605  115.3642 10.47695 134.5285 9.404568 
-19.16430      14.07879 
1 1 1 -13 24 20 o 108.8694 8.108576 123.5222       17.82287  168.9058       
25.80761  82.14093       24.64335  126.5972 10.10902 86.21097 14.57642 
40.38627       17.73878 
1 1 1 -13 24 21 o 113.0660 9.872514 135.5394       22.47156  86.36936       
42.73927  154.3257       26.41789  82.20448 24.04342 120.1592 10.93114 
-37.95472      26.41166 
1 1 1 -13 24 22 o 55.38218 17.05248 36.26324       21.09172  33.68342       
25.02418  42.59170       39.19351  53.90657 18.69544 60.13371 22.98744 
-6.227146      29.63008 
1 1 1 -13 24 23 o 57.59852 15.08476 39.77300       17.87822  49.76071       
26.06836  30.90353       24.56573  62.26695 18.91766 51.04613 18.44543 
11.22081       26.42181 
1 1 1 -13 25 1  o 98.82713 5.855542 100.3227       11.71533  91.53615       
23.86647  103.1119       13.44684  92.52281 13.04712 100.0520 6.646932 
-7.529182      14.64272 
1 1 1 -13 25 2  o 67.56876 10.69051 48.49438       14.20032  69.48328       
24.41580  37.76539       17.45643  79.63389 15.63531 58.65581 14.67213 
20.97808       21.44142 
1 1 1 -13 25 3  o 140.1498 5.233253 200.6931       14.91474  223.1888       
28.35844  192.0913       17.53594  146.6653 9.560590 136.9639 6.296100 
9.701462       11.44752 
1 1 1 -13 25 4  o 309.6689 4.022270 977.7537       25.32913  964.0427       
35.35222  992.2165       36.30851  307.0701 5.661450 311.5033 5.731843 
-4.433228      8.056429 
1 1 1 -13 25 5  o 127.9970 4.470519 167.1392       11.63614  164.7994       
15.99389  169.7704       16.96061  126.9020 6.197749 128.5987 6.506821 
-1.696617      8.986145 
1 1 1 -13 25 6  o 96.33492 5.197386 95.05363       10.14402  106.4220       
13.95703  82.32410       14.76900  101.6989 6.787775 89.11494 8.243229 
12.58395       10.67824 
1 1 1 -13 25 7  o 98.49314 5.236078 99.35546       10.44962  109.7770       
13.97454  86.13755       15.73816  103.3174 6.687256 91.10130 8.596926 
12.21609       10.89158 
1 1 1 -13 25 8  o 177.1189 4.934822 320.2492       17.77411  327.5346       
20.77110  300.3255       34.34942  179.0019 5.706247 170.2009 9.967931 
8.801010       11.48568 
1 1 1 -13 25 9  o 100.3043 5.516016 103.1209       11.20790  97.66718       
15.07313  109.8650       16.76175  97.23689 7.685556 103.0882 8.059878 
-5.851273      11.13685 
1 1 1 -13 25 10 o 63.43945 8.201612 42.05076       10.33287  43.58273       
13.76900  40.07575       15.63374  63.97001 10.98005 60.81400 13.03363 
3.156006       17.04222 
1 1 1 -13 25 11 o 87.78961 6.514843 79.36890       11.54755  99.74931       
15.73977  55.61206       16.99363  98.19451 7.950665 72.16053 12.00229 
26.03398       14.39681 
1 1 1 -13 25 12 o 59.90393 9.949399 38.07803       11.69482  45.37332       
15.48291  28.38641       17.84553  64.95187 12.16939 51.43745 15.65771 
13.51442       19.83073 
1 1 1 -13 25 13 o 78.47298 8.694257 64.25694       13.64091  73.55126       
16.76202  46.03141       23.47241  83.68403 10.05098 64.33199 17.48479 
19.35204       20.16780 
1 1 1 -13 25 14 f 146.4053 5.148675 219.1069       15.32865  221.4999       
21.34398  216.5579       22.02817  146.8403 7.147905 144.9315 7.499870 
1.908722       10.36053 
1 1 1 -13 25 15 o 201.4053 5.686298 415.3026       23.28906  432.7942       
43.02714  408.0547       27.69697  203.7074 10.42175 199.3357 6.832754 
4.371674       12.46192 
1 1 1 -13 25 16 o 200.5346 5.531692 411.7104       22.55790  420.6432       
37.10886  406.4749       28.40953  201.5399 9.054513 198.8373 7.026109 
2.702652       11.46082 
1 1 1 -13 25 17 o 40.97424 13.89047 16.84720       13.79340  7.239166       
19.33088  26.81315       19.68764  38.32059 15.65590 50.37987 16.58598 
-12.05928      22.80794 
1 1 1 -13 25 18 o 81.60825 9.581714 70.13843       15.59859  84.33879       
21.09219  52.99665       23.17394  88.78816 11.98848 68.55891 16.76222 
20.22926       20.60815 
1 1 1 -13 25 19 f 78.59375 10.04233 65.51056       15.68302  82.18227       
22.43043  49.56555       21.93612  87.03767 13.07730 66.16388 16.38881 
20.87379       20.96686 
1 1 1 -13 25 20 o 74.29481 11.27938 59.60212       16.50545  60.34740       
23.49422  58.87582       23.19316  72.70591 16.29404 71.80936 16.26068 
0.8965454      23.01968 
1 1 1 -13 25 21 o 110.9056 9.792327 130.8100       21.85785  145.9157       
42.66609  125.4347       25.45143  110.4229 19.72458 107.5182 11.83676 
2.904671       23.00365 
1 1 1 -13 25 22 o 48.67800 17.00604 26.82666       20.72409  29.65662       
25.36204  21.14029       35.95107  51.20805 18.70543 50.42468 21.04595 
0.7833710      28.15715 
1 1 1 -13 25 23 o 36.07346 14.71424 9.428760       17.04110  16.75135       
24.95338  3.028974       23.32813  43.51455 17.78384 37.03075 16.22156 
6.483795       24.07081 
1 1 1 -13 26 1  o 203.6906 6.198111 425.3080       25.67330  434.1484       
38.08651  417.9458       34.75661  204.8209 9.144197 201.2039 8.494730 
3.616959       12.48106 
1 1 1 -13 26 2  o 152.2374 4.638921 236.6717       14.36116  240.8357       
31.41988  235.5720       16.14649  151.9864 10.22543 151.7942 5.230842 
0.1922150      11.48569 
1 1 1 -13 26 3  f 225.5552 4.126927 518.9822       18.92915  461.3621       
39.85807  535.7628       21.50961  211.2673 9.277534 229.0782 4.617398 
-17.81090      10.36306 
1 1 1 -13 26 4  o 129.3811 4.344939 170.7999       11.43157  153.7531       
15.67208  190.1824       16.71128  122.3564 6.320249 136.3042 6.029051 
-13.94785      8.734701 
1 1 1 -13 26 5  o 164.9072 4.134170 277.3605       13.86370  274.9967       
19.57828  279.7379       19.63431  163.9453 5.872516 165.3584 5.838993 
-1.413086      8.281321 
1 1 1 -13 26 6  o 126.3865 4.524661 163.0068       11.62889  174.8373       
15.89090  149.3665       17.06306  130.7154 5.978199 120.4813 6.994534 
10.23407       9.201216 
1 1 1 -13 26 7  o 88.27242 5.657856 79.99679       10.10266  99.66399       
13.71547  56.66968       14.93722  98.35593 6.901084 73.29482 10.30654 
25.06110       12.40361 
1 1 1 -13 26 8  o 142.1147 4.493057 206.0875       12.98472  197.7432       
17.47465  216.3746       19.40262  138.9866 6.182786 145.3245 6.565535 
-6.337875      9.018486 
1 1 1 -13 26 9  o 100.7904 6.425254 104.4674       13.10062  99.28845       
15.01166  121.0120       26.83105  98.02862 7.589661 106.9162 12.58151 
-8.887566      14.69345 
1 1 1 -13 26 10 f 40.41454 11.47268 17.45397       9.867867  21.52534       
12.98194  11.88243       15.18648  44.89842 13.28510 38.28142 14.38373 
6.617001       19.58024 
1 1 1 -13 26 11 o 41.01736 11.77186 17.97837       10.33256  26.46507       
13.97511  7.745281       15.34578  49.37131 13.52183 35.70304 14.17020 
13.66827       19.58659 
1 1 1 -13 26 12 o 32.60101 12.54352 7.683980       11.71735  13.85958       
14.21168  -5.425857      20.70639  39.01793 14.03904 34.01949 15.07665 
4.998432       20.60097 
1 1 1 -13 26 13 o 41.41745 12.60915 18.15594       11.57245  19.41443       
15.97132  16.76491       16.79128  44.01061 14.94678 42.49105 15.26309 
1.519562       21.36278 
1 1 1 -13 26 14 o 117.3527 5.935686 141.4493       14.11893  135.1582       
19.42561  148.4944       20.55673  114.1206 8.430325 119.6256 8.505856 
-5.504959      11.97581 
1 1 1 -13 26 15 o 75.31287 13.59235 61.71579       20.05089  0.000000       
0.000000  61.71579       20.05089  ?        ?        75.31287 13.59235 
0.000000       13.59235 
1 1 1 -13 26 16 o 34.23356 13.30257 8.308162       13.28017  -4.823634      
18.30527  22.89962       19.29583  31.91690 14.15870 47.57325 16.42142 
-15.65634      21.68253 
1 1 1 -13 26 17 o 150.2593 5.941330 231.5791       18.15417  281.5355       
26.29249  186.0625       25.09697  165.1473 7.829047 133.5442 9.299586 
31.60306       12.15633 
1 1 1 -13 26 18 o 150.2518 6.093908 231.8175       18.61946  239.0683       
25.85679  224.0082       26.83418  151.6900 8.415371 146.5756 9.046973 
5.114410       12.35582 
1 1 1 -13 26 19 o 113.7975 7.555670 134.5008       17.38527  119.0033       
24.28571  150.7906       24.89871  105.5454 11.50132 119.4535 10.35242 
-13.90806      15.47427 
1 1 1 -13 26 20 o 118.5365 7.535614 146.3531       18.07011  147.0922       
25.97647  145.6601       25.15339  117.2754 11.02166 116.8610 10.70354 
0.4143524      15.36368 
1 1 1 -13 26 21 o 97.44729 11.27471 103.1900       21.92961  117.3541       
43.38807  98.33017       25.41479  95.47723 22.68282 93.68784 13.74893 
1.789398       26.52439 
1 1 1 -13 26 22 o 40.15588 16.23623 12.76124       20.53726  24.64589       
25.31478  -10.12166      35.12663  48.05538 18.44966 40.27064 18.54956 
7.784740       26.16249 
1 1 1 -13 26 23 o 48.10293 15.56299 28.16843       17.36661  2.481334       
25.31183  51.01551       23.87159  37.65038 16.67829 62.58889 17.87078 
-24.93851      24.44442 
1 1 1 -13 27 1  o 103.0824 8.641820 110.6246       17.94796  80.71819       
26.72037  135.2098       24.22691  85.46059 15.96236 113.3944 10.63051 
-27.93380      19.17823 
1 1 1 -13 27 2  o 109.7145 5.770989 123.6124       12.83029  124.1331       
25.81597  123.4416       14.78560  108.2352 11.92723 109.4566 6.674608 
-1.221436      13.66782 
1 1 1 -13 27 3  o 63.83743 8.265396 42.69260       10.47785  85.23228       
25.78476  34.27880       11.46732  88.50541 14.85273 56.60444 10.34347 
31.90097       18.09948 
1 1 1 -13 27 4  o 307.7772 4.818437 967.6481       30.15742  959.3964       
55.30542  971.1400       35.97671  304.7459 8.924388 308.0310 5.743486 
-3.285095      10.61284 
1 1 1 -13 27 5  o 104.6435 6.264618 112.5869       13.26957  108.6198       
26.25224  113.9482       15.37882  100.9198 13.10108 105.0824 7.241032 
-4.162621      14.96899 
1 1 1 -13 27 6  o 95.05698 6.642389 93.09406       12.75913  103.4075       
24.07889  89.06769       15.04496  98.74129 12.25535 92.67816 8.063276 
6.063126       14.67004 
1 1 1 -13 27 7  o 199.5178 4.048388 406.0166       16.42537  406.2967       
22.78614  405.7136       23.69870  199.2977 5.622339 199.1045 5.853182 
0.1931763      8.116060 
1 1 1 -13 27 8  o 162.0598 4.246770 267.9597       13.99540  245.0072       
18.63097  297.6853       21.20240  154.7124 5.921873 170.4975 6.115266 
-15.78519      8.512641 
1 1 1 -13 27 9  o 112.4557 5.933100 129.8125       13.51994  134.4242       
15.59726  115.8759       27.11422  114.2858 6.741117 104.3132 13.06909 
9.972557       14.70523 
1 1 1 -13 27 10 o 66.39297 7.785461 45.95232       10.31179  52.78624       
13.80906  37.33812       15.50375  70.73387 9.869154 58.47959 13.33315 
12.25428       16.58834 
1 1 1 -13 27 11 o 123.3669 5.870674 155.8316       14.72781  156.9063       
18.01356  153.6646       25.57833  123.3694 7.211658 121.1646 10.48447 
2.204865       12.72525 
1 1 1 -13 27 12 o 130.1053 5.848398 173.3575       15.47331  191.7108       
18.98429  137.0358       26.70673  136.4679 6.862779 113.9112 11.69527 
22.55666       13.56012 
1 1 1 -13 27 13 o 114.1979 5.820453 133.9333       13.47173  131.2503       
18.37391  137.0524       19.81093  112.5259 8.083537 114.8726 8.541903 
-2.346695      11.76043 
1 1 1 -13 27 14 o 66.26640 9.411982 46.41493       12.32668  17.59866       
16.83282  79.73801       18.10133  42.95881 15.29772 86.88194 10.45532 
-43.92313      18.52927 
1 1 1 -13 27 15 o 52.59075 15.61351 30.38107       17.90889  0.000000       
0.000000  30.38107       17.90889  ?        ?        52.59075 15.61351 
0.000000       15.61351 
1 1 1 -13 27 16 o 108.7508 6.852343 122.1439       15.07635  101.7639       
20.74006  144.9795       21.95407  98.14970 10.55731 117.8050 9.238366 
-19.65535      14.02869 
1 1 1 -13 27 17 o 51.36866 13.67787 29.14370       14.54207  18.92270       
20.10244  40.36407       21.06230  45.20863 16.63211 59.86777 16.67984 
-14.65915      23.55513 
1 1 1 -13 27 18 o 211.9729 5.226918 460.4669       22.53085  482.0220       
32.21167  439.8194       31.52626  216.0603 7.331397 206.3055 7.514676 
9.754898       10.49856 
1 1 1 -13 27 19 o 141.3033 6.554642 205.9200       18.83444  200.2234       
26.28122  211.9348       27.00538  138.0103 9.420743 142.0133 9.404488 
-4.002960      13.31145 
1 1 1 -13 27 20 o 74.16183 11.51847 60.04339       16.80750  47.10337       
23.42666  73.76935       24.12761  63.13433 17.59158 80.45287 15.30689 
-17.31854      23.31875 
1 1 1 -13 27 21 o 98.91809 9.631794 104.9879       19.12890  177.4036       
29.59116  53.00279       25.07180  127.4461 11.54310 65.68725 18.16135 
61.75884       21.51925 
1 1 1 -13 27 22 o 45.71709 18.04160 21.29854       24.74522  0.000000       
0.000000  21.29854       24.74522  ?        ?        45.71709 18.04160 
0.000000       18.04160 
1 1 1 -13 27 23 f 67.04237 13.89098 53.99591       18.31545  58.49563       
26.76489  50.03308       25.11746  65.47384 18.99156 60.82777 18.58888 
4.646065       26.57491 
1 1 1 -13 28 1  o 137.5439 6.107763 194.1415       17.08342  240.3691       
31.13848  174.2360       20.43307  151.5033 10.16596 129.7087 7.782614 
21.79456       12.80296 
1 1 1 -13 28 2  f 69.19602 8.088012 50.07277       11.16611  38.52737       
24.76845  53.01778       12.50943  59.03764 18.52905 71.03976 8.851329 
-12.00212      20.53464 
1 1 1 -13 28 3  o 227.6206 4.569847 529.2809       21.15264  507.0946       
40.05646  537.8602       24.90890  221.3545 8.898829 229.2608 5.342852 
-7.906372      10.37956 
1 1 1 -13 28 4  o 123.1363 5.566967 155.2083       13.93978  112.3469       
27.47150  170.0712       16.17717  102.3168 13.53564 128.7977 6.176511 
-26.48088      14.87827 
1 1 1 -13 28 5  o 173.8797 4.877330 308.9627       17.24577  290.7753       
33.87988  315.3233       20.03573  167.0587 10.01917 175.5174 5.613498 
-8.458694      11.48456 
1 1 1 -13 28 6  o 142.4933 5.342674 207.6772       15.48119  232.4962       
30.87623  199.3425       17.89282  149.2657 10.23395 139.4417 6.310075 
9.823990       12.02292 
1 1 1 -13 28 7  o 189.5789 4.976201 367.3016       19.18401  341.4609       
35.73094  377.7675       22.73944  181.2426 9.730247 192.0804 5.821640 
-10.83781      11.33883 
1 1 1 -13 28 8  o 200.0353 4.061132 408.2420       16.51981  416.4474       
23.27321  399.9095       23.45292  201.7085 5.673886 197.6249 5.835845 
4.083633       8.139415 
1 1 1 -13 28 9  o 150.1659 5.185530 230.5718       15.83492  237.7176       
18.37157  209.9219       31.23042  152.3437 5.930213 141.5329 10.93582 
10.81085       12.44024 
1 1 1 -13 28 10 o 55.16667 10.20956 32.57779       11.03159  32.65345       
13.17753  32.40053       20.16850  54.79735 12.14474 54.53318 16.65577 
0.2641678      20.61333 
1 1 1 -13 28 11 f 50.46215 11.82716 27.70979       11.92506  35.04189       
14.24973  10.57398       21.78435  56.65942 12.68364 41.80438 16.78531 
14.85504       21.03857 
1 1 1 -13 28 12 o 161.2152 4.697526 265.5958       15.40021  286.0909       
21.31535  243.2145       22.27467  166.9905 6.276959 153.7717 7.123335 
13.21875       9.494321 
1 1 1 -13 28 13 o 85.75219 7.157512 76.18872       12.36719  83.38690       
16.93567  67.96471       18.10226  89.13499 9.489266 79.77065 11.49086 
9.364342       14.90255 
1 1 1 -13 28 14 o 37.44880 12.88641 13.76036       11.87797  -1.001416      
16.18890  30.97343       17.48144  31.54175 13.66889 52.97869 15.34314 
-21.43695      20.54874 
1 1 1 -13 28 15 o 133.5677 8.463623 185.4597       22.86960  0.000000       
0.000000  185.4597       22.86960  ?        ?        133.5677 8.463623 
0.000000       8.463623 
1 1 1 -13 28 16 o 37.66874 13.59995 13.08742       13.35033  18.86301       
18.77844  7.184879       18.98368  44.53587 16.12177 37.88453 15.50043 
6.651340       22.36459 
1 1 1 -13 28 17 o 57.72803 14.25065 37.16820       16.62826  19.06808       
20.33970  73.64424       28.87405  45.28548 16.71844 80.07734 18.15068 
-34.79186      24.67698 
1 1 1 -13 28 18 o 91.28979 8.819854 87.55729       16.16931  67.22114       
22.39673  109.6953       23.36789  77.63498 14.72530 101.1817 11.56481 
-23.54671      18.72376 
1 1 1 -13 28 19 o 78.40475 10.82585 66.25304       16.80016  60.64287       
23.36814  72.25491       24.17018  72.57398 16.23972 79.78793 15.45502 
-7.213951      22.41843 
1 1 1 -13 28 20 o 89.07206 9.602880 84.84499       17.11876  94.37652       
25.22422  76.70641       23.30829  91.63814 13.97855 82.17844 14.47650 
9.459702       20.12384 
1 1 1 -13 28 21 o 69.79261 12.93766 55.51348       17.68570  59.32290       
26.13253  52.29422       24.02313  68.75487 18.34911 64.90049 17.70931 
3.854378       25.50117 
1 1 1 -13 28 22 o 27.03274 12.55613 -10.15568      16.59621  -16.50751      
24.09901  -4.425739      22.88890  31.25324 14.71344 33.89056 15.36662 
-2.637320      21.27483 
1 1 1 -13 29 1  o 77.59700 6.835335 62.45520       10.67576  19.54337       
24.52343  72.48899       11.85838  47.61052 18.18736 83.59301 7.041535 
-35.98249      19.50290 
1 1 1 -13 29 2  o 164.0332 4.859825 275.2353       16.21078  277.9031       
33.58934  274.4253       18.50901  162.8778 10.19247 163.6393 5.562170 
-0.7614594     11.61138 
1 1 1 -13 29 3  o 143.2198 5.975815 210.3828       17.40411  206.0668       
30.46791  212.4732       21.20404  140.0015 10.78489 143.4480 7.292983 
-3.446533      13.01927 
1 1 1 -13 29 4  o 223.3806 5.464293 510.9382       24.82166  555.9132       
40.62808  484.1532       31.35354  231.7987 8.619140 216.9211 7.107770 
14.87762       11.17184 
1 1 1 -13 29 5  o 76.41711 6.087795 60.25121       9.381760  70.38679       
12.91263  48.91833       13.65402  82.27133 7.811877 67.85371 10.21191 
14.41763       12.85724 
1 1 1 -13 29 6  o 187.4779 3.993390 358.6640       15.22451  374.4708       
21.36605  342.3604       21.69922  191.2576 5.493562 182.7937 5.837564 
8.463959       8.016007 
1 1 1 -13 29 7  o 74.06853 8.210770 57.28568       12.15905  37.61935       
24.45964  63.74065       14.01314  58.52750 18.42037 77.98093 9.002213 
-19.45342      20.50244 
1 1 1 -13 29 8  o 44.99782 10.70956 21.93703       9.658146  22.25261       
12.97911  21.54546       14.45755  45.39441 13.24183 45.08573 14.15734 
0.3086739      19.38495 
1 1 1 -13 29 9  o 212.4537 4.541270 461.0886       19.61973  460.1323       
24.29657  462.8809       33.26202  211.9656 5.636742 211.9330 7.717888 
0.3256226E-01  9.557126 
1 1 1 -13 29 10 o 165.0721 5.949919 279.3354       19.97267  279.3354       
19.97267  0.000000       0.000000  165.0721 5.949919 ?        ?        
0.000000       5.949919 
1 1 1 -13 29 11 o 134.3861 5.613208 185.0077       15.33970  186.3846       
18.75333  182.2239       26.66577  134.4629 6.881482 131.9480 10.01268 
2.514908       12.14942 
1 1 1 -13 29 12 o 122.1017 5.417232 152.6910       13.45087  148.7539       
18.64089  156.9678       19.42835  119.8436 7.689504 123.0878 7.802275 
-3.244141      10.95463 
1 1 1 -13 29 13 o 47.52956 12.25954 24.73802       11.92688  19.28186       
15.97327  31.61292       17.93012  43.66710 14.94712 53.44912 15.55595 
-9.782017      21.57322 
1 1 1 -13 29 14 o 71.70644 9.907640 54.57391       14.06113  64.53606       
21.42947  47.04190       18.63332  76.54742 14.29232 65.07227 14.45695 
11.47515       20.32914 
1 1 1 -13 29 15 o 86.17646 8.170584 77.54668       14.14724  62.84024       
19.90734  92.55203       20.10863  75.79001 13.40718 93.36013 10.79061 
-17.57012      17.21016 
1 1 1 -13 29 16 f 107.4207 7.157931 119.5500       15.54652  131.5912       
21.73272  106.9304       22.24856  111.9021 9.644670 100.2523 11.09955 
11.64976       14.70441 
1 1 1 -13 29 17 o 82.22636 10.57224 72.14549       17.26837  81.18764       
21.48825  55.65902       29.01544  86.50384 12.58454 68.83990 19.71798 
17.66393       23.39165 
1 1 1 -13 29 18 o 52.72676 13.86402 31.23514       15.06260  26.87801       
21.53180  35.41090       21.07890  50.12481 17.34425 55.73455 17.02845 
-5.609741      24.30619 
1 1 1 -13 29 19 o 83.61118 9.898890 74.83897       16.50397  79.12106       
23.68094  70.79480       23.01363  83.79972 14.41635 78.92222 14.88536 
4.877502       20.72210 
1 1 1 -13 29 20 o 71.52750 12.51068 57.37271       17.53453  46.95285       
25.25108  67.07625       24.36766  61.74287 18.58760 75.16031 16.40380 
-13.41743      24.79079 
1 1 1 -13 29 21 o 32.08430 14.30077 -2.240041      18.89915  5.826327       
23.44448  -17.20963      31.93791  38.31359 16.52638 36.47176 17.09626 
1.841827       23.77821 
1 1 1 -13 29 22 o 110.6850 8.723151 132.8059       19.47509  146.5937       
27.57766  119.0893       27.50634  113.1233 12.18021 100.2829 13.85858 
12.84042       18.45042 
1 1 1 -13 30 1  o 85.49024 6.322844 75.57653       10.91412  55.23092       
26.12585  79.87782       12.01253  69.12776 18.29850 87.79390 6.781066 
-18.66614      19.51456 
1 1 1 -13 30 2  o 162.9733 5.015735 271.9492       16.62273  266.9590       
33.67766  273.5565       19.11322  159.3180 10.45299 163.2740 5.756589 
-3.956070      11.93329 
1 1 1 -13 30 3  o 96.03040 7.289844 95.61491       14.12945  130.6308       
27.37885  82.90378       16.49585  110.5010 12.39807 88.83801 9.267562 
21.66302       15.47901 
1 1 1 -13 30 4  o 131.1819 5.311717 176.2435       14.16969  127.3696       
28.10735  192.8969       16.40715  108.9368 12.94118 137.1276 5.883784 
-28.19086      14.21595 
1 1 1 -13 30 5  o 26.38236 10.54478 3.827028       8.554414  2.162272       
10.79792  6.632918       14.01846  27.71022 11.54712 33.70382 13.48893 
-5.993607      17.75633 
1 1 1 -13 30 6  f 195.8164 4.382472 391.7166       17.45097  363.0134       
21.44297  448.0152       30.03090  188.2245 5.602184 208.6260 7.078619 
-20.40147      9.027254 
1 1 1 -13 30 7  f 28.94011 11.08815 6.160578       9.131982  13.82479       
11.33241  -8.032959      15.42177  37.24245 12.59066 27.73417 12.58991 
9.508282       17.80535 
1 1 1 -13 30 8  o 91.06718 8.718529 86.63103       15.94836  113.6589       
27.89547  73.50683       19.43855  102.6130 13.71136 82.85494 11.87673 
19.75801       18.13996 
1 1 1 -13 30 9  o 102.1355 5.949136 107.3492       12.30261  105.2230       
15.19603  111.3938       20.95878  100.7693 7.468843 102.9043 10.14782 
-2.134979      12.60007 
1 1 1 -13 30 10 o 25.94805 11.56764 -4.236830      12.37117  -4.236830      
12.37117  0.000000       0.000000  25.94805 11.56764 ?        ?        
0.000000       11.56764 
1 1 1 -13 30 11 o 154.8318 4.699925 245.1475       14.79799  261.4299       
20.60115  227.7908       21.26990  159.5155 6.350924 148.7252 7.032820 
10.79037       9.476012 
1 1 1 -13 30 12 o 188.1299 4.587060 361.8924       17.54865  343.3668       
23.92236  383.4760       25.82137  182.7554 6.436983 193.0883 6.576154 
-10.33287      9.202204 
1 1 1 -13 30 13 o 97.03804 6.756515 97.40257       13.24946  56.22315       
17.99781  146.1242       19.57675  71.81161 12.79366 118.5242 8.172291 
-46.71261      15.18104 
1 1 1 -13 30 14 o 75.36166 9.508268 60.08854       14.24715  74.22394       
22.10471  50.04354       18.63399  82.34648 13.68049 67.16843 14.09193 
15.17805       19.64023 
1 1 1 -13 30 15 o 157.2910 5.419545 253.7199       17.33476  283.0030       
24.64319  225.0381       24.38890  165.5380 7.320618 147.1175 8.184611 
18.42050       10.98086 
1 1 1 -13 30 16 o 137.9130 5.994753 195.5366       16.81234  210.8790       
24.22617  181.2832       23.35047  142.2345 8.413257 131.7003 8.768946 
10.53424       12.15226 
1 1 1 -13 30 17 o 58.93382 14.46076 39.19055       17.20041  60.40910       
21.45322  1.002589       28.78048  73.26745 14.90619 41.61478 18.12906 
31.65267       23.47035 
1 1 1 -13 30 18 o 73.09272 11.16241 58.04013       16.06523  66.84788       
22.37815  48.67342       23.07731  76.82247 14.86205 64.38357 17.26956 
12.43890       22.78417 
1 1 1 -13 30 19 o 120.0672 7.402724 150.8185       17.98640  198.7067       
26.89346  112.0631       24.19346  136.5221 9.751226 101.1043 12.00170 
35.41788       15.46374 
1 1 1 -13 30 20 o 87.89828 10.38252 84.32748       18.19981  89.47801       
26.89972  79.97938       24.71561  86.94751 15.79566 82.45584 15.30347 
4.491669       21.99316 
1 1 1 -13 30 21 o 85.95525 11.98764 83.99127       20.38323  111.5786       
25.97178  39.74673       32.89097  98.03943 13.37624 54.95341 21.04610 
43.08601       24.93716 
1 1 1 -13 30 22 o 32.04156 13.92731 3.076184       16.90791  16.76841       
24.92351  -8.597689      23.01334  42.06541 17.53732 32.04715 14.85036 
10.01826       22.98023 
1 1 1 -13 31 1  o 180.7054 4.185979 333.8633       15.38224  316.0600       
33.86062  338.4928       17.26677  173.5312 9.633333 181.8313 4.669722 
-8.300064      10.70549 
1 1 1 -13 31 2  o 79.99780 7.314843 66.64557       11.76796  42.06225       
26.17909  72.87096       13.17400  60.69526 19.04940 83.53513 7.847254 
-22.83987      20.60240 
1 1 1 -13 31 3  o 94.11861 5.758790 91.26671       10.96892  78.65057       
27.27378  93.70110       11.98055  83.44865 16.65567 95.26764 6.218252 
-11.81898      17.77858 
1 1 1 -13 31 4  o 20.08722 9.434627 -9.883169      9.808781  1.317797       
22.90622  -12.39825      10.85430  38.06927 16.37848 20.55475 9.736283 
17.51452       19.05387 
1 1 1 -13 31 5  o 101.7845 5.168582 106.3754       10.66294  103.9511       
13.44174  110.4905       17.51269  100.2996 6.627656 102.9197 8.441971 
-2.620033      10.73279 
1 1 1 -13 31 6  o 51.42127 9.053620 28.23413       9.121312  36.03009       
11.55423  15.33976       14.85957  57.94248 10.17737 40.19603 14.36682 
17.74644       17.60637 
1 1 1 -13 31 7  o 119.0640 5.026700 145.1126       12.17069  130.3633       
14.88390  174.8755       21.14313  112.4069 6.539630 129.7897 8.050552 
-17.38280      10.37199 
1 1 1 -13 31 8  o 42.55441 13.82167 18.97517       13.68913  26.28702       
24.35627  15.59896       16.55052  51.25201 18.38547 41.28035 15.10579 
9.971664       23.79518 
1 1 1 -13 31 9  o 77.64520 7.247665 62.68449       11.31133  54.30380       
13.86321  79.37568       19.56443  71.55154 9.784204 86.17060 11.44832 
-14.61906      15.05970 
1 1 1 -13 31 10 o 236.8857 4.963057 574.4263       23.90779  572.0897       
28.15574  580.4651       45.26364  236.0884 5.864634 236.0618 9.429146 
0.2662659E-01  11.10418 
1 1 1 -13 31 11 o 144.2882 4.887429 213.1057       14.34045  235.6478       
20.01103  189.3075       20.56106  151.3388 6.502310 135.1816 7.509146 
16.15724       9.933142 
1 1 1 -13 31 12 o 160.9890 4.850673 265.3120       15.87996  259.3083       
21.61718  272.3496       23.40446  158.6714 6.699603 162.4900 7.083054 
-3.818634      9.749581 
1 1 1 -13 31 13 o 63.20208 10.66646 43.01370       13.22093  24.65692       
19.27268  59.33073       18.17040  48.39630 16.41915 73.79349 12.55849 
-25.39719      20.67134 
1 1 1 -13 31 14 o 130.2637 5.855738 174.3304       15.51160  174.1158       
21.58725  174.5595       22.30372  129.2814 8.254338 129.3422 8.527646 
-0.6083679E-01 11.86823 
1 1 1 -13 31 15 o 65.82491 10.74278 46.69678       13.88389  74.66036       
19.70380  19.12156       19.56650  83.08827 12.01015 44.78791 16.41923 
38.30036       20.34293 
1 1 1 -13 31 16 o 137.4249 6.201856 194.5120       17.33160  178.9815       
24.48666  210.1033       24.53458  130.4916 9.288384 141.7744 8.550004 
-11.28279      12.62445 
1 1 1 -13 31 17 o 35.39220 14.47441 6.762001       16.54470  21.83911       
20.51643  -21.27540      27.97767  46.48173 16.84746 34.30978 16.05679 
12.17194       23.27353 
1 1 1 -13 31 18 o 39.28655 14.43830 14.80202       15.14344  17.59855       
21.04806  11.80100       21.80406  43.82552 16.82376 41.17040 16.70038 
2.655113       23.70530 
1 1 1 -13 31 19 o 103.5436 8.707291 114.0338       18.16381  114.1015       
26.22862  113.9714       25.17856  100.8914 13.09277 101.2423 12.49485 
-0.3508759     18.09812 
1 1 1 -13 31 20 o 35.12868 15.04988 4.625412       19.19522  2.561281       
23.58181  8.678489       33.04464  37.07873 16.27436 43.90733 19.26835 
-6.828594      25.22150 
1 1 1 -13 31 21 o 52.81277 16.14511 35.56721       18.94557  26.12096       
23.37580  53.65096       32.34305  46.66632 17.77334 60.54168 21.23965 
-13.87535      27.69503 
1 1 1 -13 32 1  o 88.60348 7.675256 81.99847       13.69253  0.000000       
0.000000  81.99847       13.69253  ?        ?        88.60348 7.675256 
0.000000       7.675256 
1 1 1 -13 32 2  o 82.47552 6.166852 70.40142       10.26800  64.38046       
25.18957  71.60124       11.24462  74.85535 16.94289 83.04474 6.716069 
-8.189392      18.22545 
1 1 1 -13 32 3  o 20.85754 9.456679 -4.607741      8.667146  -34.03967      
23.42928  0.5847882E-01  9.328937  27.98357 13.52884 24.50286 10.49455 
3.480713       17.12207 
1 1 1 -13 32 4  o 17.81834 8.536041 -12.08372      8.841764  -10.08881      
22.90473  -12.43304      9.584684  33.80313 15.34428 18.77041 8.963688 
15.03272       17.77061 
1 1 1 -13 32 5  o 33.53463 12.08681 10.29924       10.53834  24.75549       
24.75424  7.099296       11.64643  50.26832 18.46203 31.85618 12.43554 
18.41214       22.25959 
1 1 1 -13 32 6  o 108.1149 4.838784 119.6676       10.63833  123.9082       
14.37436  114.5319       15.81890  109.5320 6.482366 105.0261 7.455184 
4.505859       9.879313 
1 1 1 -13 32 7  o 56.27239 8.567302 33.58281       9.494247  38.33580       
11.75508  24.66470       16.10197  59.79205 10.02257 47.65575 14.93696 
12.13630       17.98791 
1 1 1 -13 32 8  o 125.6265 4.705442 161.5051       12.02079  189.7826       
16.57652  130.1416       17.45762  135.9081 5.997860 111.9125 7.718241 
23.99569       9.774742 
1 1 1 -13 32 9  o 23.96484 10.96221 -7.398975      11.97921  4.235610       
25.27706  -10.76895      13.60393  40.83893 17.37721 24.55776 11.39322 
16.28117       20.77915 
1 1 1 -13 32 10 o 124.8728 5.143015 159.8009       13.05982  160.6706       
17.82417  158.7927       19.19013  124.5888 7.064311 123.6615 7.669012 
0.9273224      10.42680 
1 1 1 -13 32 11 o 75.47143 7.675341 59.52499       11.61570  59.40308       
15.18117  59.69717       18.04059  74.61540 10.27795 74.03813 12.42240 
0.5772705      16.12304 
1 1 1 -13 32 12 o 92.24688 7.060448 88.35130       13.14393  84.19521       
17.85742  93.26505       19.41701  89.10662 10.02936 93.70900 10.36286 
-4.602379      14.42140 
1 1 1 -13 32 13 o 32.57339 12.88937 6.952459       12.66177  8.238505       
18.46167  5.810272       17.39848  37.82956 15.35948 35.75198 14.75753 
2.077583       21.30020 
1 1 1 -13 32 14 o 28.34830 12.13672 0.4558263      12.46799  2.518926       
17.05480  -1.912513      18.27295  33.76809 14.31755 32.79970 14.36273 
0.9683876      20.28005 
1 1 1 -13 32 15 o 148.5826 5.672822 226.9419       17.14030  242.8224       
24.40789  211.4909       24.07562  152.7297 7.885690 142.3045 8.356360 
10.42520       11.48969 
1 1 1 -13 32 16 o 36.67986 14.91385 7.890857       17.43613  21.28079       
35.63587  3.676339       19.99273  52.14558 21.27498 36.46731 15.48413 
15.67828       26.31317 
1 1 1 -13 32 17 o 66.38785 15.93115 51.29038       21.23306  51.29038       
21.23306  0.000000       0.000000  66.38785 15.93115 ?        ?        
0.000000       15.93115 
1 1 1 -13 32 18 o 38.75983 15.23552 12.31552       17.58116  17.99368       
21.27334  0.8122199E-01  31.22637  43.79441 16.88701 41.63790 18.48075 
2.156517       25.03416 
1 1 1 -13 32 19 o 192.8709 5.893128 386.0878       23.11341  398.6305       
33.12490  374.1866       32.26659  193.9541 8.398550 187.8705 8.445847 
6.083603       11.91083 
1 1 1 -13 32 20 o 87.33207 9.951632 84.09529       17.35776  122.1493       
25.72147  52.27380       23.52101  103.2508 12.50544 63.43357 17.60993 
39.81726       21.59851 
1 1 1 -13 32 21 o 71.72060 12.40993 60.65102       17.44424  78.26604       
25.10245  44.19994       24.25894  77.93575 16.36021 56.35459 18.40428 
21.58117       24.62466 
1 1 1 -13 33 1  f 155.6079 5.934958 249.3870       18.78023  0.000000       
0.000000  249.3870       18.78023  ?        ?        155.6079 5.934958 
0.000000       5.934958 
1 1 1 -13 33 2  o 73.42467 6.699387 56.12671       9.892810  39.38924       
28.36331  58.44490       10.55569  58.75103 19.91863 74.85396 7.016462 
-16.10293      21.11830 
1 1 1 -13 33 3  o 63.63330 7.493454 42.50545       9.510709  83.24080       
27.08118  36.77447       10.15772  85.64819 16.14089 58.77855 8.766253 
26.86964       18.36779 
1 1 1 -13 33 4  o 58.12321 8.311090 35.79652       9.543645  33.65617       
24.99606  36.16177       10.32591  55.15447 18.69893 58.22655 9.011911 
-3.072075      20.75728 
1 1 1 -13 33 5  o 82.93681 6.424994 71.28642       10.75150  64.34705       
26.75232  72.62314       11.74145  74.43356 17.89487 83.57707 6.972133 
-9.143509      19.20513 
1 1 1 -13 33 6  o 39.15865 10.18295 16.69945       8.184752  12.04970       
10.63829  23.44406       12.81256  35.08876 12.18850 46.10094 13.06800 
-11.01218      17.86987 
1 1 1 -13 33 7  o 80.92883 5.761773 67.62555       9.420312  66.56217       
12.86098  68.85648       13.83718  79.71326 8.044006 80.94182 8.535348 
-1.228554      11.72852 
1 1 1 -13 33 8  o 103.9698 5.116199 110.8259       10.81698  121.4842       
14.57582  97.75999       16.13828  108.3522 6.647330 96.67128 8.289526 
11.68095       10.62559 
1 1 1 -13 33 9  o 264.3586 5.006688 716.2756       26.91507  739.3689       
52.46992  708.0293       31.35451  265.6803 9.711798 262.4389 5.875169 
3.241425       11.35062 
1 1 1 -13 33 10 o 203.7499 4.285905 424.6110       17.75789  421.9815       
24.42762  427.5580       25.86048  202.5712 5.929963 203.7821 6.240496 
-1.210892      8.608615 
1 1 1 -13 33 11 o 148.1622 5.761693 225.6360       17.35957  215.9788       
20.09638  254.0256       34.45672  144.6403 6.832463 154.6565 11.02833 
-10.01620      12.97330 
1 1 1 -13 33 12 f 165.4192 5.343365 280.8767       17.97431  291.8074       
27.45935  272.6819       23.77575  167.6021 8.056740 162.3635 7.201026 
5.238602       10.80582 
1 1 1 -13 33 13 o 95.29132 7.791563 94.81779       14.96627  114.0141       
18.58964  59.45365       25.23155  104.1657 8.860103 71.54286 17.48981 
32.62288       19.60599 
1 1 1 -13 33 14 o 146.6735 6.362309 221.8625       18.97658  219.8010       
22.92528  226.3492       33.82115  145.2877 7.787869 145.4395 11.52998 
-0.1518250     13.91371 
1 1 1 -13 33 15 o 47.25256 14.78370 24.74510       15.78127  29.13366       
19.25503  15.76485       27.54404  50.99894 16.37556 46.39683 18.78782 
4.602104       24.92270 
1 1 1 -13 33 16 o 93.21558 10.38921 93.27542       19.35845  126.0090       
38.45451  82.16412       22.40441  102.7908 19.09985 86.04475 13.22788 
16.74608       23.23319 
1 1 1 -13 33 17 o 50.13226 15.48044 28.96655       17.36795  55.36255       
22.03636  -14.31700      28.21838  68.52571 16.08885 35.75901 16.52585 
32.76670       23.06415 
1 1 1 -13 33 18 o 42.47047 14.76254 19.69324       15.60733  27.72786       
22.44775  12.17481       21.71468  49.28281 17.65348 40.59340 16.58980 
8.689419       24.22533 
1 1 1 -13 33 19 o 66.77451 12.69108 51.52731       16.60303  74.95426       
24.08725  30.32159       22.91690  78.64317 15.61248 49.92472 17.84192 
28.71845       23.70830 
1 1 1 -13 33 20 o 56.36675 16.05130 40.87009       19.28466  44.56777       
24.12488  34.32518       32.09608  57.19191 18.32614 51.13284 20.42956 
6.059074       27.44475 
1 1 1 -13 33 21 o 90.28493 9.698467 91.54955       17.52706  123.8385       
26.17611  65.30791       23.59790  101.5865 12.96699 69.66114 16.84355 
31.92538       21.25672 
1 1 1 -13 34 1  o 69.64460 7.737418 51.05384       10.77286  0.000000       
0.000000  51.05384       10.77286  ?        ?        69.64460 7.737418 
0.000000       7.737418 
1 1 1 -13 34 2  o 96.54237 5.831348 96.33450       11.39450  0.000000       
0.000000  96.33450       11.39450  ?        ?        96.54237 5.831348 
0.000000       5.831348 
1 1 1 -13 34 3  o 42.13671 10.38061 19.48650       8.836722  45.36261       
27.42424  16.48858       9.334595  61.98748 19.50402 38.87828 11.19796 
23.10920       22.49002 
1 1 1 -13 34 4  o 42.37075 10.34478 19.68148       8.835752  25.92841       
25.54052  18.83219       9.417239  50.64597 18.72699 41.40265 10.99875 
9.243324       21.71802 
1 1 1 -13 34 5  o 110.3637 5.135093 125.0012       11.52460  89.98718       
29.16548  131.4799       12.54558  88.65439 16.79250 113.1206 5.453782 
-24.46617      17.65593 
1 1 1 -13 34 6  o 68.22275 6.097206 48.30330       8.369723  34.82522       
10.84741  68.13295       13.15739  56.87074 9.729345 80.54993 8.144442 
-23.67920      12.68827 
1 1 1 -13 34 7  o 20.74684 9.255513 -2.850070      7.935075  9.564798       
10.28070  -21.14533      12.48018  32.61694 11.91009 19.85487 9.662963 
12.76207       15.33699 
1 1 1 -13 34 8  o 20.85065 9.394572 -3.857061      8.400175  6.907728       
10.70721  -21.08874      13.54681  30.79338 11.95051 21.14377 10.23782 
9.649614       15.73619 
1 1 1 -13 34 9  o 175.6476 4.728645 316.1272       16.89003  314.1989       
21.11375  319.5542       28.14717  174.7220 5.942460 175.3961 7.891569 
-0.6741333     9.878750 
1 1 1 -13 34 10 o 174.1002 4.946650 310.8254       17.51305  320.4766       
21.92551  293.8154       29.10788  176.3889 6.112613 167.6534 8.566415 
8.735550       10.52366 
1 1 1 -13 34 11 o 116.7802 9.468375 143.8944       22.29159  143.8944       
22.29159  0.000000       0.000000  116.7802 9.468375 ?        ?        
0.000000       9.468375 
1 1 1 -13 34 12 o 111.9670 6.544372 129.8425       14.83594  134.9934       
21.88100  125.4595       20.18398  113.0024 9.613334 109.0950 9.183514 
3.907387       13.29485 
1 1 1 -13 34 13 o 148.0715 5.375791 225.2988       16.18696  251.7242       
22.55536  197.2357       23.24378  155.8991 7.114668 137.2857 8.365796 
18.61346       10.98203 
1 1 1 -13 34 14 o 39.90501 13.33268 16.72996       12.70603  39.68231       
18.12928  -5.428498      17.81298  58.84579 15.08086 30.74946 13.78168 
28.09633       20.42956 
1 1 1 -13 34 15 o 146.4793 5.854652 221.2939       17.43929  217.3488       
24.67793  225.2293       24.64786  143.8301 8.474826 146.5149 8.306856 
-2.684738      11.86704 
1 1 1 -13 34 16 o 76.62569 12.48354 65.32549       18.78219  69.21229       
37.94471  64.06413       21.61607  72.56804 22.95499 74.65415 14.76179 
-2.086113      27.29179 
1 1 1 -13 34 17 o 28.44321 12.94202 -6.940913      16.41841  -0.2783087     
20.44340  -19.04593      27.55584  34.40300 15.12507 33.78088 15.84934 
0.6221161      21.90820 
1 1 1 -13 34 18 o 56.39333 13.80971 37.55500       15.71028  26.38300       
22.25490  48.65260       22.18066  47.84377 17.51525 62.38280 17.01430 
-14.53904      24.41865 
1 1 1 -13 34 19 o 51.63771 15.51446 33.38216       17.60457  21.60123       
28.36996  40.75922       22.44970  45.74852 18.85996 55.67594 17.66138 
-9.927425      25.83839 
1 1 1 -13 34 20 o 35.83735 15.60911 6.484938       21.32613  31.83787       
30.66108  -17.27493      29.68215  48.84790 19.80769 33.53838 15.94825 
15.30952       25.43012 
1 1 1 -13 35 1  f 50.02784 9.545494 27.21854       9.356624  9.403959       
27.24751  29.60005       9.962423  43.20951 18.19633 52.15592 9.751645 
-8.946407      20.64464 
1 1 1 -13 35 2  o 130.3506 4.880750 174.4538       12.93752  0.000000       
0.000000  174.4538       12.93752  ?        ?        130.3506 4.880750 
0.000000       4.880750 
1 1 1 -13 35 3  o 47.60148 10.27522 24.85202       9.654872  0.000000       
0.000000  24.85202       9.654872  ?        ?        47.60148 10.27522 
0.000000       10.27522 
1 1 1 -13 35 4  o 97.45143 5.510710 98.00646       10.87587  90.16235       
33.08939  98.95651       11.51567  86.79726 19.25114 97.84269 5.813882 
-11.04543      20.10989 
1 1 1 -13 35 5  o 126.5672 4.904459 164.3826       12.62303  154.8800       
31.06055  166.2625       13.81537  119.0236 13.04672 127.1805 5.341835 
-8.156960      14.09795 
1 1 1 -13 35 6  o 93.82140 7.505098 91.95151       14.19904  60.84291       
28.11832  102.5994       16.45056  71.30090 19.03584 98.86694 8.257949 
-27.56604      20.74987 
1 1 1 -13 35 7  o 162.7973 4.034003 271.1190       13.35472  271.3477       
18.33689  270.8607       19.48854  162.4259 5.551611 162.1565 5.910080 
0.2693329      8.108603 
1 1 1 -13 35 8  o 21.00959 9.380523 -2.942781      8.169055  -7.931782      
10.41214  5.045195       13.17504  21.63220 10.01171 31.63054 12.92406 
-9.998335      16.34826 
1 1 1 -13 35 9  o 168.7387 4.358438 291.5604       14.95536  273.0660       
20.45002  312.8232       21.92732  162.7197 6.180196 174.1585 6.191410 
-11.43878      8.748050 
1 1 1 -13 35 10 o 197.4987 6.244165 402.4153       25.07784  0.000000       
0.000000  402.4153       25.07784  ?        ?        197.4987 6.244165 
0.000000       6.244165 
1 1 1 -13 35 11 o 68.03236 11.29355 50.44414       15.07628  48.69671       
17.86629  54.76555       28.09617  65.82198 13.78941 67.54878 19.41915 
-1.726807      23.81704 
1 1 1 -13 35 12 f 113.5480 5.973662 133.2594       13.74491  139.3089       
19.03119  126.6631       19.87258  115.3017 8.169578 109.5711 8.998275 
5.730606       12.15364 
1 1 1 -13 35 13 o 81.91486 7.880015 70.52648       12.96430  84.81930       
18.03896  55.25780       18.64461  89.00047 10.14855 70.19035 13.55321 
18.81011       16.93171 
1 1 1 -13 35 14 o 49.53508 12.86618 27.68863       13.07648  39.48050       
18.07601  14.74244       18.94010  58.43150 15.10283 41.21375 15.92222 
17.21775       21.94567 
1 1 1 -13 35 15 o 119.2543 6.723095 148.1272       16.23752  137.7581       
22.95988  158.5024       22.96676  113.3321 10.06725 122.0592 9.323421 
-8.727112      13.72136 
1 1 1 -13 35 16 o 61.14494 16.37353 44.99754       20.76528  0.000000       
0.000000  44.99754       20.76528  ?        ?        61.14494 16.37353 
0.000000       16.37353 
1 1 1 -13 35 17 f 25.31235 11.96955 -15.26566      16.27369  -15.95514      
25.92177  -14.81714      20.90729  33.06345 15.46780 29.59781 13.86076 
3.465633       20.76954 
1 1 1 -13 35 18 o 82.50163 10.28139 75.54044       16.87478  92.04684       
24.44993  60.52536       23.31927  88.15774 14.11467 69.08701 16.76794 
19.07073       21.91775 
1 1 1 -13 35 19 o 34.83353 14.16798 10.15836       15.74249  -7.961933      
22.38042  27.90407       22.14790  31.70099 14.67398 46.82666 17.41422 
-15.12567      22.77237 
1 1 1 -13 35 20 o 51.97541 15.97490 36.60856       18.51971  38.72545       
23.52623  33.15945       30.03008  51.69876 18.11605 48.20174 19.58252 
3.497013       26.67707 
1 1 1 -13 36 1  o 111.8652 5.010992 128.7220       11.39909  88.08105       
29.02239  136.1352       12.39520  86.32297 17.13768 114.9621 5.302097 
-28.63911      17.93913 
1 1 1 -13 36 2  o 119.3445 4.682968 146.2320       11.36515  105.8052       
31.89853  152.1101       12.16336  95.04023 17.13522 121.6594 4.916505 
-26.61920      17.82660 
1 1 1 -13 36 3  o 69.86057 6.460711 50.92117       9.074391  0.000000       
0.000000  50.92117       9.074391  ?        ?        69.86057 6.460711 
0.000000       6.460711 
1 1 1 -13 36 4  o 57.28045 7.155484 34.57042       8.153016  0.000000       
0.000000  34.57042       8.153016  ?        ?        57.28045 7.155484 
0.000000       7.155484 
1 1 1 -13 36 5  o 181.1724 4.117944 336.0824       15.17134  0.000000       
0.000000  336.0824       15.17134  ?        ?        181.1724 4.117944 
0.000000       4.117944 
1 1 1 -13 36 6  o 65.62323 7.813441 45.45855       10.22183  0.000000       
0.000000  45.45855       10.22183  ?        ?        65.62323 7.813441 
0.000000       7.813441 
1 1 1 -13 36 7  o 128.6315 4.475389 169.6004       11.70657  163.3871       
16.50812  175.8857       16.60346  125.5388 6.488661 130.4928 6.256921 
-4.953964      9.013977 
1 1 1 -13 36 8  o 29.37215 10.90725 7.415977       8.682475  7.278305       
11.47843  7.600095       13.27412  31.59496 12.34221 33.27048 13.18717 
-1.675518      18.06189 
1 1 1 -13 36 9  o 161.7303 4.757918 268.3794       15.64804  295.2915       
23.32667  246.3602       21.09985  168.8545 6.793423 154.2590 6.726318 
14.59554       9.560019 
1 1 1 -13 36 10 o 128.0099 7.289113 170.7171       18.89596  0.000000       
0.000000  170.7171       18.89596  ?        ?        128.0099 7.289113 
0.000000       7.289113 
1 1 1 -13 36 11 o 68.67958 8.535526 50.08203       11.66382  60.56940       
15.94913  38.02465       17.10134  74.74526 10.80679 57.60846 14.58408 
17.13680       18.15164 
1 1 1 -13 36 12 o 76.98461 9.029584 63.10608       13.86742  58.44904       
20.52686  67.01608       18.80858  71.59531 14.59397 77.96066 12.26942 
-6.365341      19.06627 
1 1 1 -13 36 13 o 38.09209 13.60535 14.44372       13.32394  18.47892       
19.16382  10.66794       18.53757  43.45403 16.19101 38.59591 15.48860 
4.858128       22.40637 
1 1 1 -13 36 14 o 55.61996 13.03999 35.23511       14.49264  53.78199       
22.43053  21.94397       18.98826  67.21720 16.52595 45.37694 16.23819 
21.84026       23.16864 
1 1 1 -13 36 15 o 42.23925 13.86258 19.83193       13.75703  15.07143       
19.68830  24.37362       19.23053  41.20015 16.14488 46.70906 16.37820 
-5.508915      22.99788 
1 1 1 -13 36 16 o 44.44884 15.53682 22.24833       17.29899  69.23361       
36.30805  8.450180       19.67580  70.45482 22.47239 37.38730 15.58411 
33.06752       27.34726 
1 1 1 -13 36 17 o 78.27895 10.34360 67.97714       16.06197  47.18407       
22.58141  89.26982       22.85109  60.57645 17.40777 87.71591 13.22142 
-27.13946      21.85947 
1 1 1 -13 36 18 o 24.39704 11.55827 -13.64021      15.30979  -5.828290      
21.74575  -21.31787      21.55809  32.07371 14.70747 27.72540 13.29445 
4.348314       19.82554 
1 1 1 -13 36 19 o 120.4958 7.762509 157.4752       18.91945  156.4533       
25.91822  158.6408       27.68098  116.4467 11.07879 116.2628 11.87486 
0.1839142      16.24044 
1 1 1 -13 37 1  o 25.32382 11.06360 -1.010405      10.78715  -48.52187      
27.13187  7.909841       11.75625  27.75657 13.66026 32.00557 12.49399 
-4.248997      18.51222 
1 1 1 -13 37 2  o 47.82639 16.45183 25.54620       19.35925  21.86090       
27.09150  29.39169       27.67402  48.03939 18.90314 51.89372 19.43281 
-3.854324      27.11020 
1 1 1 -13 37 3  o 46.17070 8.619590 23.08290       7.795265  34.76324       
27.62281  22.07220       8.125531  54.88577 19.59115 44.96002 9.197431 
9.925751       21.64269 
1 1 1 -13 37 4  o 131.3898 12.23357 188.7783       32.31069  0.000000       
0.000000  188.7783       32.31069  ?        ?        131.3898 12.23357 
0.000000       12.23357 
1 1 1 -13 37 5  o 64.81424 18.68817 51.03475       25.98617  0.000000       
0.000000  51.03475       25.98617  ?        ?        64.81424 18.68817 
0.000000       18.68817 
1 1 1 -13 37 6  o 128.6811 6.313979 171.3279       16.52226  0.000000       
0.000000  171.3279       16.52226  ?        ?        128.6811 6.313979 
0.000000       6.313979 
1 1 1 -13 37 7  o 103.0926 6.900751 110.7743       14.38336  0.000000       
0.000000  110.7743       14.38336  ?        ?        103.0926 6.900751 
0.000000       6.900751 
1 1 1 -13 37 8  o 86.52296 5.732891 77.53127       10.02972  90.99268       
13.77243  62.33049       14.63519  93.24902 7.321851 76.23107 9.657505 
17.01794       12.11928 
1 1 1 -13 37 9  o 93.76696 6.043462 91.18391       11.46220  111.5290       
16.18844  70.73005       16.23165  103.1056 7.778225 81.09270 10.05902 
22.01291       12.71553 
1 1 1 -13 37 10 o 123.5331 5.566917 157.2991       13.98459  143.6104       
19.87195  170.7298       19.68378  116.7432 8.427258 127.7385 7.612209 
-10.99529      11.35625 
1 1 1 -13 37 11 o 66.19182 9.164857 47.01519       12.00521  52.37986       
16.39219  40.80881       17.63132  68.65592 12.18745 59.41558 14.67837 
9.240341       19.07848 
1 1 1 -13 37 12 o 148.5221 5.297523 227.2823       15.99983  255.6116       
22.69257  199.2772       22.56234  156.6747 7.122512 137.6499 8.096055 
19.02489       10.78315 
1 1 1 -13 37 13 o 51.83452 12.23527 30.43385       12.68964  51.37022       
17.58097  7.664459       18.33445  67.17901 13.33984 36.62097 15.13542 
30.55804       20.17504 
1 1 1 -13 37 14 o 86.78474 8.475829 80.28706       14.76718  95.05215       
20.78646  65.24172       20.98281  92.96510 11.22238 75.08124 14.26452 
17.88386       18.14988 
1 1 1 -13 37 15 o 135.6156 6.210411 191.4830       17.12700  201.3668       
24.56339  182.1313       23.89300  137.1830 8.852388 130.2770 9.075542 
6.906006       12.67794 
1 1 1 -13 37 16 o 103.5132 9.561075 116.8272       19.89842  104.9624       
40.54145  120.5925       22.83860  85.10041 22.91629 104.1144 10.95133 
-19.01398      25.39858 
1 1 1 -13 37 17 o 25.07268 11.71890 -10.22033      14.82183  22.80382       
20.65093  -45.30670      21.28595  44.16003 16.73241 23.04160 11.47202 
21.11844       20.28745 
1 1 1 -13 37 18 o 31.63374 13.46580 5.473768       15.18974  5.117020       
22.09871  5.793271       20.91334  35.48743 15.65864 35.13966 15.37696 
0.3477707      21.94639 
1 1 1 -13 37 19 o 77.04016 12.41591 72.26405       18.79012  80.07947       
24.26917  60.56801       29.68921  77.13783 15.99643 60.53067 20.37958 
16.60715       25.90778 
1 1 1 -13 38 1  o 101.0516 5.549536 105.9819       11.36017  123.5415       
33.54000  103.7064       12.07382  101.4665 16.84587 99.79600 5.977008 
1.670540       17.87479 
1 1 1 -13 38 2  o 72.82652 5.839370 55.25941       8.575097  0.000000       
0.000000  55.25941       8.575097  ?        ?        72.82652 5.839370 
0.000000       5.839370 
1 1 1 -13 38 3  f 51.18162 19.55044 28.24396       28.33607  0.000000       
0.000000  28.24396       28.33607  ?        ?        51.18162 19.55044 
0.000000       19.55044 
1 1 1 -13 38 4  o 133.1709 12.94218 196.8336       34.60568  0.000000       
0.000000  196.8336       34.60568  ?        ?        133.1709 12.94218 
0.000000       12.94218 
1 1 1 -13 38 5  o 60.14433 20.43189 44.58943       29.84445  0.000000       
0.000000  44.58943       29.84445  ?        ?        60.14433 20.43189 
0.000000       20.43189 
1 1 1 -13 38 6  o 62.01485 20.16447 47.73077       29.13295  0.000000       
0.000000  47.73077       29.13295  ?        ?        62.01485 20.16447 
0.000000       20.16447 
1 1 1 -13 38 7  o 73.02070 19.71877 66.60525       29.96730  0.000000       
0.000000  66.60525       29.96730  ?        ?        73.02070 19.71877 
0.000000       19.71877 
1 1 1 -13 38 8  o 174.9926 10.96771 330.3560       38.83174  0.000000       
0.000000  330.3560       38.83174  ?        ?        174.9926 10.96771 
0.000000       10.96771 
1 1 1 -13 38 9  o 97.05997 5.646453 97.57540       11.09651  94.91751       
14.23914  101.6858       17.70752  95.09468 7.422153 97.73846 9.010707 
-2.643784      11.67395 
1 1 1 -13 38 10 f 91.79539 6.376828 87.78925       11.82970  93.83337       
15.56228  79.51655       18.20667  94.19128 8.206773 85.49911 10.70646 
8.692169       13.48998 
1 1 1 -13 38 11 o 35.63728 12.55670 12.84119       11.31227  8.296158       
14.94805  18.93290       17.30555  34.62711 13.90402 42.70618 15.47398 
-8.079063      20.80302 
1 1 1 -13 38 12 o 87.13861 8.882049 81.19991       15.51889  74.80354       
17.84061  101.0895       31.45976  82.60519 10.88581 91.48240 17.54927 
-8.877213      20.65133 
1 1 1 -13 38 13 o 21.01637 10.03857 -14.46584      12.03577  -16.99301      
15.86798  -11.04235      18.46885  24.47475 11.64485 28.78375 13.32591 
-4.308998      17.69696 
1 1 1 -13 38 14 o 28.53458 12.47056 -0.2379417     13.71556  -9.823441      
17.82488  13.67450       21.47439  28.45457 13.14462 40.76237 16.55985 
-12.30781      21.14260 
1 1 1 -13 38 15 o 128.6876 6.676272 174.2137       17.41116  169.7905       
24.57823  178.6695       24.66821  124.6968 9.770855 128.1386 9.535127 
-3.441826      13.65241 
1 1 1 -13 38 16 o 39.83712 14.42302 17.87699       15.03039  -4.754090      
20.93894  41.93351       21.58829  32.00672 14.58357 56.38575 17.23390 
-24.37902      22.57627 
1 1 1 -13 38 17 o 52.77714 15.76375 36.70833       18.21437  57.86886       
22.80854  -0.5412801     30.26182  65.42983 16.99119 37.66130 17.29924 
27.76853       24.24797 
1 1 1 -13 38 18 o 76.00533 13.49399 72.14002       20.09230  71.36240       
24.06533  73.92939       36.50545  71.88644 16.76963 63.67280 22.54377 
8.213646       28.09701 
1 1 1 -13 38 19 o 36.97837 16.14103 12.37790       22.91514  12.37790       
22.91514  0.000000       0.000000  36.97837 16.14103 ?        ?        
0.000000       16.14103 
1 1 1 -13 39 1  o 22.33219 9.559420 0.4965670      7.732563  -56.14467      
28.13968  5.122929       8.042156  26.94044 13.37595 26.34329 10.31975 
0.5971470      16.89418 
1 1 1 -13 39 2  o 38.92013 16.10143 10.35203       20.77884  16.56077       
29.07460  3.870231       29.70704  45.40450 18.93651 41.13617 18.15294 
4.268333       26.23205 
1 1 1 -13 39 3  o 66.15401 16.13560 52.94289       21.51268  50.08039       
29.71510  56.09563       31.18517  62.05951 20.37403 65.16843 20.83105 
-3.108929      29.13819 
1 1 1 -13 39 4  f 47.14631 16.63584 25.05972       19.86272  20.16955       
28.62083  29.60328       27.58790  47.18877 19.13648 51.28253 19.36157 
-4.093761      27.22269 
1 1 1 -13 39 5  o 27.08549 12.83351 -18.29239      18.88577  -14.34802      
26.86554  -22.14588      26.55419  34.47245 15.99928 32.31028 15.28210 
2.162174       22.12509 
1 1 1 -13 39 6  o 78.86468 13.89133 71.20969       21.46425  59.66806       
32.32471  80.31212       28.70647  67.56538 21.16140 81.04151 17.89693 
-13.47613      27.71471 
1 1 1 -13 39 7  o 102.6314 11.30918 115.4711       23.21094  101.8422       
34.42461  126.8318       31.42986  90.40137 19.31235 104.7347 15.20114 
-14.33334      24.57725 
1 1 1 -13 39 8  o 21.55507 9.127837 0.7686909      6.917920  -1.024836      
8.546886  4.175928       11.78027  22.53090 9.845572 29.42976 12.14521 
-6.898863      15.63462 
1 1 1 -13 39 9  f 69.59328 6.713730 50.87715       9.383389  58.57360       
12.14150  39.46263       14.78617  74.16322 8.187164 58.81863 12.73131 
15.34459       15.13658 
1 1 1 -13 39 10 o 49.08561 10.83685 26.98487       10.52775  38.24118       
13.72073  10.87145       16.41621  58.15275 12.00064 36.96332 14.66061 
21.18943       18.94594 
1 1 1 -13 39 11 o 161.0735 6.358928 270.0038       20.82857  330.2117       
45.36992  253.9260       23.44521  171.4871 13.10955 155.5647 7.411252 
15.92236       15.05945 
1 1 1 -13 39 12 o 36.16307 13.93515 11.75646       14.47866  11.88905       
17.10501  11.42138       27.19220  37.70195 14.96139 42.57874 18.06741 
-4.876789      23.45793 
1 1 1 -13 39 13 o 29.12373 12.37499 2.645756       12.78640  -1.880602      
17.05451  8.456044       19.32252  30.65458 13.62932 36.92020 15.42107 
-6.265615      20.58076 
1 1 1 -13 39 14 o 38.34179 13.68777 15.99219       13.48427  27.50644       
18.73385  3.613780       19.42414  47.53578 16.18770 34.47649 14.95661 
13.05930       22.03955 
1 1 1 -13 39 15 f 30.28282 12.97457 3.257077       14.26786  -13.39336      
20.17298  19.92347       20.18264  28.75601 13.51388 42.41877 16.42262 
-13.66276      21.26799 
1 1 1 -13 39 16 o 68.41018 11.45659 54.63649       15.37421  51.02122       
21.69049  58.28658       21.79471  61.43454 16.85416 66.46716 16.25879 
-5.032616      23.41817 
1 1 1 -13 39 17 o 26.36219 12.07819 -4.496274      14.62300  -10.68898      
21.76781  0.5966983      19.74058  29.70365 13.98385 31.94250 14.39604 
-2.238852      20.06973 
1 1 1 -13 39 18 o 40.00937 14.58515 20.94939       15.40830  46.69501       
22.56003  -1.560878      21.09494  55.03798 17.73086 31.35068 14.41635 
23.68731       22.85202 
1 1 1 -13 40 1  o 28.11059 9.551166 8.194489       6.521686  31.27618       
29.76166  7.030244       6.684140  50.44108 19.82408 26.89603 9.633245 
23.54506       22.04073 
1 1 1 -13 40 2  f 27.80874 13.24925 -19.91465      20.68907  -34.59505      
28.80721  -4.276311      29.73224  30.65744 14.86477 38.09092 17.36439 
-7.433477      22.85790 
1 1 1 -13 40 3  o 40.75937 16.43579 14.41926       20.98384  41.86860       
31.31793  -7.942856      28.26726  56.60357 20.76938 36.49142 16.74619 
20.11214       26.67962 
1 1 1 -13 40 4  o 45.86390 17.09263 23.22515       21.35985  24.01437       
31.61062  22.56201       28.97585  49.00425 20.02040 47.65714 19.27983 
1.347111       27.79439 
1 1 1 -13 40 5  o 29.58363 13.82002 -13.93203      20.57034  -21.16026      
29.25685  -6.865551      28.92767  34.06078 16.08882 37.45418 17.09494 
-3.393406      23.47525 
1 1 1 -13 40 6  o 41.46064 16.48148 15.29925       20.79053  22.56993       
32.33297  10.17391       27.14684  48.94548 20.15090 42.15947 17.97542 
6.786011       27.00323 
1 1 1 -13 40 7  o 82.17095 13.81344 77.90144       22.26296  81.79218       
31.09466  73.80924       31.88953  79.84207 19.35307 74.79788 20.40122 
5.044189       28.12030 
1 1 1 -13 40 8  o 55.96023 10.04523 34.62654       11.01109  73.93462       
32.19881  29.42089       11.71754  74.68784 20.55338 50.87135 11.58607 
23.81650       23.59403 
1 1 1 -13 40 9  o 25.84439 10.37034 4.134604       8.309334  5.229272       
10.05580  1.778140       14.75386  28.40048 11.40391 30.52970 13.13967 
-2.129215      17.39828 
1 1 1 -13 40 10 o 108.1835 5.581166 121.6715       12.23644  122.1587       
16.34489  121.0502       18.45684  107.4452 7.528280 106.3210 8.610582 
1.124168       11.43753 
1 1 1 -13 40 11 f 39.41419 14.42724 16.33682       15.09863  -50.28376      
31.79924  35.72773       17.15582  30.16512 14.83460 54.29348 15.02784 
-24.12836      21.11638 
1 1 1 -13 40 12 o 96.62029 8.332456 100.2811       16.21156  92.19611       
18.62411  125.5642       32.93446  91.42966 10.19035 100.9464 16.62254 
-9.516777      19.49749 
1 1 1 -13 40 13 o 65.55814 10.34304 48.20334       13.33162  32.35498       
18.19408  66.57844       19.59082  50.80304 15.87026 75.16527 13.30376 
-24.36223      20.70882 
1 1 1 -13 40 14 o 20.43720 9.926735 -19.10773      12.99890  -27.26851      
17.72681  -9.615384      19.11839  23.20172 11.34045 28.96404 13.46093 
-5.762321      17.60121 
1 1 1 -13 40 15 o 64.55977 16.17959 55.15994       21.19913  55.15994       
21.19913  0.000000       0.000000  64.55977 16.17959 ?        ?        
0.000000       16.17959 
1 1 1 -13 40 16 o 35.61533 13.92333 13.67765       14.61629  21.27488       
21.35336  6.980013       20.04932  41.56306 16.64313 34.55032 15.08915 
7.012741       22.46499 
1 1 1 -13 40 17 o 50.81532 15.89964 36.99458       18.25327  48.74414       
38.09065  33.49214       20.79665  50.54122 21.41139 47.38655 16.98998 
3.154663       27.33325 
1 1 1 -13 41 1  o 52.53291 17.22677 36.79285       21.24599  66.07725       
30.59296  9.511650       29.52807  66.86506 20.52882 40.91780 18.07525 
25.94725       27.35228 
1 1 1 -13 41 2  o 90.25922 12.99037 95.47089       23.15633  107.0763       
34.72613  86.17852       31.07346  88.33089 19.81995 79.29794 19.42359 
9.032944       27.75079 
1 1 1 -13 41 3  o 29.73958 13.91707 -12.95398      21.01214  -58.15488      
30.83065  26.25210       28.71349  28.11586 13.96659 47.97929 19.26863 
-19.86343      23.79803 
1 1 1 -13 41 4  o 84.95267 13.06860 83.77956       21.85304  81.75806       
33.23719  85.31886       29.00339  76.63998 20.79635 81.39304 18.00073 
-4.753059      27.50481 
1 1 1 -13 41 5  o 39.89232 16.41974 12.72239       21.46144  52.14866       
32.59932  -17.43675      28.51183  61.06356 21.32919 33.99720 16.00485 
27.06636       26.66626 
1 1 1 -13 41 6  o 77.83788 14.88399 72.54880       22.70063  83.93993       
34.36213  63.72744       30.23880  77.84721 21.15430 68.30048 20.29093 
9.546730       29.31256 
1 1 1 -13 41 7  o 48.75648 17.69641 28.45519       22.64749  34.67947       
33.06861  22.95681       31.08054  53.09993 20.88771 47.89679 19.74238 
5.203136       28.74122 
1 1 1 -13 41 8  o 46.42711 17.19015 24.82685       21.53494  26.52600       
33.01744  23.56889       28.40940  49.71646 20.40334 47.39800 19.12006 
2.318459       27.96199 
1 1 1 -13 41 9  o 20.13356 8.962382 -2.024675      7.396935  -10.07377      
8.844018  16.71431       13.49426  18.28160 8.696851 39.00418 13.71729 
-20.72258      16.24190 
1 1 1 -13 41 10 o 81.43215 6.664916 70.06615       10.94007  59.60824       
14.38355  84.41978       16.85097  73.43426 9.882937 87.74655 9.600347 
-14.31229      13.77821 
1 1 1 -13 41 11 o 85.59410 7.356657 78.15042       12.68045  64.33940       
17.26643  94.32050       18.68296  75.00914 11.70169 92.25220 10.12554 
-17.24306      15.47437 
1 1 1 -13 41 12 o 73.28409 8.924138 58.94039       13.02465  80.09390       
18.57047  38.46040       18.27243  83.95554 11.15337 55.00856 15.61042 
28.94697       19.18549 
1 1 1 -13 41 13 o 71.60497 9.555733 57.25642       13.56698  48.20296       
19.18496  66.31300       19.18825  61.37869 15.39698 74.36740 13.17028 
-12.98871      20.26138 
1 1 1 -13 41 14 o 115.4741 6.703909 142.3420       15.67440  128.9569       
21.80002  156.6677       22.55305  106.6757 10.17267 118.4702 9.439834 
-11.79450      13.87781 
1 1 1 -13 41 15 o 85.95965 8.636798 82.40270       14.89304  82.57652       
22.04835  82.25685       20.19708  80.81192 13.91914 82.20533 12.47364 
-1.393410      18.69048 
1 1 1 -13 41 16 o 50.24722 13.66135 33.40525       14.32640  20.22031       
20.79999  45.30596       19.76107  39.85214 16.25599 55.80243 16.35677 
-15.95029      23.06081 
1 1 1 -13 41 17 o 57.11182 12.95282 42.73563       14.69721  35.53376       
21.81844  48.71811       19.88573  46.91548 17.31644 56.89162 16.33190 
-9.976147      23.80316 
1 1 1 -13 42 1  o 32.59447 14.61346 0.9314804      20.04575  42.47281       
30.76158  -29.72854      26.42742  52.50298 20.28937 28.81954 14.03363 
23.68344       24.66985 
1 1 1 -13 42 2  o 40.64982 16.47473 17.39752       21.19881  34.87617       
32.26131  4.115984       28.12238  50.08292 20.31468 38.17372 17.19550 
11.90921       26.61525 
1 1 1 -13 42 3  o 45.10733 17.15673 24.86694       21.76381  35.40639       
32.63666  16.42694       29.20571  50.98932 20.51978 43.08315 18.51370 
7.906170       27.63727 
1 1 1 -13 42 4  o 84.86816 14.24014 87.19044       23.70545  86.98289       
35.56698  87.35633       31.79790  76.04269 21.84542 78.94228 19.83306 
-2.899590      29.50547 
1 1 1 -13 42 5  o 54.15100 17.13100 38.44345       21.13266  29.32196       
32.09160  45.42731       28.08060  49.27814 20.15678 56.89441 19.80015 
-7.616268      28.25494 
1 1 1 -13 42 6  o 53.58659 17.61705 37.75091       22.21435  52.62533       
34.18441  26.87812       29.22663  59.63014 21.72643 47.97828 19.37942 
11.65186       29.11357 
1 1 1 -13 42 7  o 36.70588 15.66930 7.695694       20.67379  4.030272       
34.11361  9.823293       25.99026  41.71166 18.85004 40.15783 17.36102 
1.553833       25.62672 
1 1 1 -13 42 8  o 50.48444 17.48414 32.85746       21.88286  -31.62636      
33.63937  80.16321       28.81240  33.62811 16.24641 77.43235 18.54313 
-43.80424      24.65347 
1 1 1 -13 42 9  o 39.28262 12.92901 17.89781       11.96334  6.030038       
33.54961  19.62668       12.80512  41.82816 18.81723 40.85211 13.37279 
0.9760475      23.08505 
1 1 1 -13 42 10 o 31.05545 11.37394 9.683675       9.385984  13.62770       
11.93630  3.294111       15.19272  35.54888 12.85572 30.93611 13.32406 
4.612770       18.51486 
1 1 1 -13 42 11 o 54.03571 10.52969 33.55067       11.15450  60.84741       
15.22159  1.890211       16.39318  73.17728 10.53242 31.01430 13.59184 
42.16299       17.19506 
1 1 1 -13 42 12 o 100.4733 6.611616 107.5307       13.43311  93.97423       
18.70073  121.9826       19.30842  91.04655 10.28057 104.9302 9.140165 
-13.88364      13.75619 
1 1 1 -13 42 13 o 115.3646 6.582948 142.2052       15.37944  145.4464       
21.36444  138.7190       22.15680  113.9978 9.296989 110.5832 9.959824 
3.414612       13.62469 
1 1 1 -13 42 14 o 39.67562 13.66120 19.93235       13.35022  7.995672       
18.94245  31.71307       18.81829  34.13294 14.78877 47.41568 16.22377 
-13.28274      21.95264 
1 1 1 -13 42 15 o 40.09186 13.94465 21.26624       13.92691  -3.456721      
20.90757  40.98613       18.67263  30.43866 14.12253 53.11526 15.98261 
-22.67660      21.32814 
1 1 1 -13 42 16 o 30.83663 12.91492 8.598573       13.60436  21.61915       
20.12059  -2.367190      18.46482  39.34815 16.01229 28.85069 13.34547 
10.49747       20.84454 
1 1 1 -13 43 1  o 44.13483 16.44258 27.10246       19.76274  33.87210       
31.07705  22.50595       25.60773  46.81702 19.55610 42.07280 17.67487 
4.744217       26.35986 
1 1 1 -13 43 2  o 51.45463 17.19965 38.00410       21.14542  26.72181       
32.15013  46.60532       28.07140  45.26481 19.43711 54.13869 19.69391 
-8.873886      27.67041 
1 1 1 -13 43 3  o 81.90727 13.74218 83.01696       22.07844  79.07587       
33.91920  85.91433       29.08302  69.44209 21.66527 77.45821 18.68048 
-8.016129      28.60672 
1 1 1 -13 43 4  o 41.65453 16.53840 20.01746       20.91087  49.19097       
32.84417  0.1311945      27.11693  55.66285 21.09912 36.27352 16.55420 
19.38932       26.81817 
1 1 1 -13 43 5  o 32.90562 14.79563 -0.1248484     20.71035  3.528521       
31.93214  -2.777436      27.20922  39.48357 17.99774 35.68553 16.39607 
3.798035       24.34645 
1 1 1 -13 43 6  o 33.15080 14.96448 -0.9241782     21.42964  38.16065       
33.48403  -28.03935      27.88944  51.53861 20.76910 30.36578 14.69983 
21.17283       25.44485 
1 1 1 -13 43 7  o 22.97542 11.37575 -37.23482      19.82633  -29.84527      
33.05671  -41.38641      24.77751  32.97044 15.97116 26.03545 12.85885 
6.934996       20.50434 
1 1 1 -13 43 8  o 51.48584 17.58613 36.25989       22.11108  71.71851       
36.48899  15.68449       27.79553  65.84127 22.59015 41.97245 18.04951 
23.86882       28.91539 
1 1 1 -13 43 9  o 30.99018 14.31142 -6.584126      21.10510  10.00056       
33.36700  -17.64400      27.24826  41.69495 18.76082 31.98014 15.22798 
9.714808       24.16319 
1 1 1 -13 43 10 o 65.02817 7.268820 45.81183       9.447627  51.56227       
12.11911  36.90322       15.08430  67.98281 8.986660 54.25095 13.67678 
13.73186       16.36503 
1 1 1 -13 43 11 o 59.03402 9.498039 39.63301       11.01548  47.32456       
14.71558  29.83022       16.61290  62.79274 11.96115 47.48394 15.20680 
15.30880       19.34724 
1 1 1 -13 43 12 o 63.31371 9.990916 46.33553       12.43676  73.45295       
17.38055  17.88214       17.80354  78.87433 11.14674 38.90441 15.31905 
39.96992       18.94527 
1 1 1 -13 43 13 o 47.57936 12.79903 29.03859       12.65418  47.77509       
18.29386  11.84888       17.52247  59.05922 15.15650 35.01783 14.66086 
24.04139       21.08697 
1 1 1 -13 43 14 o 54.54169 12.23715 37.84436       13.23867  24.06459       
19.27955  50.13866       18.21075  41.22196 16.02533 59.99760 14.97362 
-18.77563      21.93218 
1 1 1 -13 43 15 o 51.39490 13.22533 35.73459       13.90266  38.02131       
21.07932  33.97406       18.49572  48.04134 17.11772 46.72153 16.08021 
1.319809       23.48594 
1 1 1 -13 43 16 o 26.68765 12.03268 1.153848       13.80757  16.37298       
19.83766  -13.14752      19.23022  35.71832 15.30100 25.73618 12.39598 
9.982147       19.69216 
1 1 1 -13 44 1  o 33.49371 14.68382 8.868064       19.14860  -2.343889      
29.05170  17.48066       25.46232  33.87091 16.00930 38.48097 16.89980 
-4.610058      23.27877 
1 1 1 -13 44 2  o 36.38565 15.60610 13.11603       20.68238  25.54555       
30.62328  2.691303       28.04509  42.78154 18.66712 35.41958 16.40624 
7.361958       24.85209 
1 1 1 -13 44 3  o 70.72692 16.15918 69.36002       22.73244  37.18782       
33.31117  97.40233       31.09970  47.72609 20.11000 79.36430 19.42688 
-31.63821      27.96097 
1 1 1 -13 44 4  o 100.9661 11.49592 121.1553       23.18236  118.7966       
35.69703  122.8755       30.48586  87.22204 20.47639 95.28633 16.32021 
-8.064293      26.18457 
1 1 1 -13 44 5  o 44.44934 16.76955 26.74512       20.68622  -0.1369081     
32.50134  45.05040       26.81998  37.54875 17.48400 53.57164 19.28498 
-16.02289      26.03076 
1 1 1 -13 44 6  o 88.82022 13.36294 97.46998       23.38837  74.29253       
35.61874  115.0380       31.01035  64.73594 22.31294 91.44901 17.30928 
-26.71307      28.23966 
1 1 1 -13 44 7  o 84.67901 13.80261 89.60524       22.94893  87.26508       
38.70482  90.87397       28.49878  69.10869 23.26904 80.22760 17.92053 
-11.11891      29.36994 
1 1 1 -13 44 8  o 61.84654 17.09493 54.09061       22.21727  98.48161       
37.44103  29.96471       27.60210  75.57883 22.60698 46.23914 18.77834 
29.33968       29.38880 
1 1 1 -13 44 9  o 40.90660 16.67229 20.05857       21.85616  32.99644       
34.94373  11.74467       28.01174  47.27522 20.28118 39.20821 17.44805 
8.067013       26.75371 
1 1 1 -13 44 10 o 25.05334 9.823463 5.287437       7.292367  10.50942       
9.010900  -4.624081      12.41425  30.92441 11.17188 24.14205 11.08589 
6.782362       15.73874 
1 1 1 -13 44 11 o 30.49030 11.74119 9.579903       10.27300  22.48815       
13.91135  -5.901936      15.23516  41.34807 13.95006 25.99972 12.06034 
15.34836       18.44061 
1 1 1 -13 44 12 o 33.25814 13.59918 11.35471       14.60106  -1.289666      
34.13506  14.18626       16.15340  36.19379 17.17937 35.38963 14.36778 
0.8041649      22.39563 
1 1 1 -13 44 13 o 76.68025 11.11661 72.09355       16.82888  74.93176       
19.49650  63.79842       33.33078  75.78848 13.12574 55.18241 21.17388 
20.60606       24.91221 
1 1 1 -13 44 14 o 26.10908 11.61310 1.690360       12.39414  2.305708       
18.46701  1.185992       16.71898  29.98820 13.67620 28.66600 13.04979 
1.322203       18.90332 
1 1 1 -13 44 15 o 25.87880 11.64900 1.124154       12.87974  15.21262       
19.11245  -10.59664      17.43264  34.73687 14.95274 25.03552 11.99148 
9.701353       19.16716 
1 1 1 -13 45 1  o 23.62021 11.57092 -21.26678      18.76516  -22.40079      
29.86655  -20.52713      24.12064  29.23408 14.37673 26.94863 13.18380 
2.285446       19.50648 
1 1 1 -13 45 2  o 28.93433 13.46411 -2.557826      19.22440  -7.505148      
29.94480  0.9109139      25.07391  32.40862 15.57406 32.54845 15.22239 
-0.1398315     21.77779 
1 1 1 -13 45 3  o 26.07747 12.55555 -15.34827      19.68359  -7.502169      
29.40440  -21.71894      26.49585  32.73840 15.65236 28.72310 14.00092 
4.015301       21.00053 
1 1 1 -13 45 4  o 36.81264 15.58797 15.24785       20.17334  23.67061       
30.24644  8.498752       27.07509  41.51777 18.31939 36.27676 16.55014 
5.241013       24.68820 
1 1 1 -13 45 5  o 61.40848 16.52254 55.17155       21.08531  12.49725       
36.23586  77.01810       25.92667  39.82518 18.51633 71.17896 17.92303 
-31.35378      25.76994 
1 1 1 -13 45 6  o 57.86307 16.99922 50.09669       21.32247  -7.500064      
34.03446  87.30904       27.35668  35.28275 16.86071 76.39810 17.91871 
-41.11535      24.60414 
1 1 1 -13 45 7  o 49.02607 17.59809 37.37445       22.31812  38.60148       
34.07756  36.45285       29.53316  47.30973 20.15475 46.98109 19.29062 
0.3286324      27.89878 
1 1 1 -13 45 8  o 37.44479 16.01260 14.97824       21.65759  32.95868       
34.97611  3.797001       27.58140  45.25667 19.84289 35.54003 16.39430 
9.716640       25.73933 
1 1 1 -13 45 9  o 32.05943 14.64000 1.504822       21.24944  -0.8978853     
33.14748  3.181100       27.68683  36.00454 17.04289 35.19175 16.30085 
0.8127975      23.58343 
1 1 1 -13 45 10 o 23.64472 9.945667 3.016798       8.124751  34.15382       
34.87176  1.229534       8.354678  44.57578 19.66941 22.64271 9.815959 
21.93307       21.98270 
1 1 1 -13 45 11 o 26.84147 10.86738 6.296857       9.214020  -4.064248      
12.81436  17.38805       13.25815  24.16200 11.15584 36.47444 13.49144 
-12.31244      17.50633 
1 1 1 -13 45 12 o 63.61033 11.38189 50.96898       14.18237  69.32755       
35.18127  47.40666       15.49739  54.59266 21.52238 59.29599 13.19264 
-4.703339      25.24398 
1 1 1 -13 45 13 f 39.04195 14.42396 22.58651       15.14536  33.76373       
17.47650  -11.12798      30.35260  45.91232 15.63503 31.13341 15.13286 
14.77890       21.75908 
1 1 1 -13 45 14 o 20.46594 9.828612 -10.57139      11.88375  -17.47060      
17.16081  -4.214433      16.47262  22.98956 11.21967 26.00345 12.21755 
-3.013887      16.58763 
1 1 1 -13 46 1  o 29.90404 13.68334 5.659075       18.68508  -5.984420      
29.09638  13.83070       24.37539  30.41897 14.79272 33.84151 15.53771 
-3.422535      21.45332 
1 1 1 -13 46 2  o 43.71559 16.25944 33.33955       19.30919  71.40023       
31.02245  9.269019       24.67065  55.24612 20.59713 33.29156 15.40892 
21.95457       25.72308 
1 1 1 -13 46 3  o 39.81654 16.13021 25.66733       20.31226  47.36342       
30.18774  7.718000       27.45769  46.63251 19.35917 34.10575 15.94399 
12.52676       25.07964 
1 1 1 -13 46 4  o 25.78633 12.46309 -14.90356      19.84843  -11.91340      
28.15753  -17.85680      27.98312  30.50346 14.76741 29.36649 14.33079 
1.136965       20.57785 
1 1 1 -13 46 5  o 35.40629 15.14077 14.90910       19.36320  26.97288       
30.18843  6.476864       25.23888  40.79250 18.13513 33.95897 15.67117 
6.833530       23.96807 
1 1 1 -13 46 6  f 34.50038 14.98344 12.38867       19.53667  -4.911794      
30.90826  23.89985       25.21192  33.24204 15.93409 39.93246 17.18155 
-6.690426      23.43290 
1 1 1 -13 46 7  f 46.14526 17.43805 36.13778       22.39170  85.28020       
35.59724  3.961979       28.80399  62.01463 22.22889 34.56405 16.21280 
27.45057       27.51324 
1 1 1 -13 46 8  o 51.64070 17.78378 45.91274       22.62390  65.24448       
36.94642  34.31546       28.61641  52.39246 21.55186 43.63395 18.52594 
8.758507       28.41994 
1 1 1 -13 46 9  o 32.94852 14.89065 7.486832       21.29102  6.594448       
32.82305  8.135060       27.97482  35.78762 16.94572 35.05579 16.28902 
0.7318344      23.50510 
1 1 1 -13 46 10 o 32.98824 15.02283 7.622442       22.18203  -12.08723      
35.49780  20.24920       28.41238  32.76400 16.02134 38.07678 17.20557 
-5.312786      23.50989 
1 1 1 -13 46 11 o 33.62887 10.82456 14.50648       8.409513  24.58424       
12.20484  5.397141       11.60362  41.71101 12.99306 27.20396 11.67927 
14.50705       17.47069 
1 1 1 -13 46 12 o 60.31422 9.015076 43.60449       10.71782  49.33532       
16.03570  38.97738       14.40902  58.62430 13.69792 51.98439 13.50752 
6.639904       19.23762 
1 1 1 -13 46 13 o 43.64725 14.65176 30.78766       15.34529  31.26844       
17.52668  29.20885       31.76111  42.53246 15.54778 38.27937 17.63464 
4.253090       23.50987 
1 1 1 -13 47 1  o 29.54604 13.46625 8.521929       17.86962  -5.425607      
28.42163  17.63980       22.97984  28.99672 14.21224 33.25056 15.19967 
-4.253849      20.80908 
1 1 1 -13 47 2  o 52.51981 16.51965 50.65199       19.67559  18.47951       
29.99212  74.95905       26.06940  34.50267 16.29516 59.19478 19.05908 
-24.69211      25.07550 
1 1 1 -13 47 3  o 36.48835 15.23546 22.14043       18.85101  -6.405138      
29.11786  42.73778       24.73408  30.09033 14.66956 44.28224 17.84844 
-14.19190      23.10331 
1 1 1 -13 47 4  o 45.44424 16.77857 38.61666       20.48718  77.64353       
31.88615  11.17865       26.73601  55.83906 20.86933 33.63390 15.72647 
22.20516       26.13141 
1 1 1 -13 47 5  o 36.56219 15.52776 20.76240       20.11277  37.75091       
31.16293  8.633573       26.33117  41.47098 18.43167 33.24748 15.56520 
8.223499       24.12472 
1 1 1 -13 47 6  o 64.37366 16.42757 67.15400       21.57599  102.4244       
34.48230  44.46005       27.65960  66.47966 21.95350 45.30254 18.64289 
21.17712       28.80127 
1 1 1 -13 47 7  o 39.99615 16.52395 28.03077       21.84055  84.00006       
34.44426  -9.603827      28.24461  57.70420 21.66594 30.11869 14.63000 
27.58551       26.14287 
1 1 1 -13 47 8  o 55.83028 17.41278 55.59839       21.91261  50.17746       
34.10379  59.40993       28.59672  44.83250 19.62696 51.42847 19.64124 
-6.595970      27.76681 
1 1 1 -13 47 9  o 37.47633 16.13244 23.20619       22.24852  -33.17320      
33.77278  66.43335       29.57229  28.41478 14.19489 53.50481 20.07801 
-25.09003      24.58905 
1 1 1 -13 47 10 o 28.83355 13.88230 -6.071410      24.06116  36.09859       
36.40105  -38.79353      32.06512  39.62649 18.46875 26.95759 13.51986 
12.66890       22.88845 
1 1 1 -13 47 11 o 31.54486 8.258903 12.09764       5.360172  14.85215       
6.343211  5.218714       10.02413  34.55854 8.953672 25.55821 10.91074 
9.000334       14.11427 
1 1 1 -13 47 12 o 35.87115 11.65847 18.19742       9.738944  13.89981       
14.56192  21.67531       13.09972  31.86456 13.35440 37.20592 13.46572 
-5.341358      18.96485 
1 1 1 -13 48 2  o 61.54977 15.66286 66.94225       19.65285  88.30599       
31.19733  52.88626       25.30519  54.00103 20.54078 44.56108 18.02081 
9.439953       27.32533 
1 1 1 -13 48 3  o 25.14609 12.18227 -7.925584      19.24560  30.57925       
29.52467  -36.37473      25.37827  35.98129 16.72408 23.42196 11.78470 
12.55932       20.45908 
1 1 1 -13 48 4  o 32.09627 14.37577 14.64681       19.34773  -7.827612      
29.97782  30.69182       25.32945  29.05818 14.31204 37.36592 16.61173 
-8.307734      21.92679 
1 1 1 -13 48 5  o 47.09165 16.95551 45.08418       20.73298  57.02090       
31.64274  36.10446       27.44499  44.35566 19.16599 39.12480 17.34740 
5.230865       25.85087 
1 1 1 -13 48 6  o 28.24522 13.30027 1.337792       19.71210  -6.871031      
30.96448  6.931435       25.56058  29.88253 14.68419 31.26001 14.84580 
-1.377478      20.88117 
1 1 1 -13 48 7  o 41.48540 16.77851 35.85338       21.93870  43.26007       
34.08862  30.61651       28.66378  39.90178 18.34023 37.57129 17.09730 
2.330494       25.07353 
1 1 1 -13 48 8  o 33.30114 14.96267 16.28130       21.13611  -10.01546      
33.42522  33.80182       27.28329  29.99649 14.83752 38.70004 17.22096 
-8.703548      22.73133 
1 1 1 -13 48 9  o 23.79269 11.78016 -22.17256      21.25708  -10.82039      
33.19389  -30.06465      27.67672  29.67137 14.69613 25.53138 12.76879 
4.139988       19.46839 
1 1 1 -13 48 10 o 42.86648 17.13299 41.05679       22.58249  26.33126       
35.16526  51.39162       29.45982  35.31472 16.94570 43.05315 18.54829 
-7.738430      25.12361 
1 1 1 -13 49 5  o 25.01919 12.15552 -6.799419      19.52584  -18.62481      
29.29968  2.648218       26.18886  26.38081 13.18520 28.82134 14.02005 
-2.440533      19.24607 
1 1 1 -13 49 6  o 23.58749 11.62298 -15.24184      19.84794  -21.05754      
30.33312  -10.88755      26.24670  26.50789 13.27339 26.71560 13.20225 
-0.2077065     18.72117 
1 1 1 -13 49 7  o 28.06899 13.41538 2.831804       21.56251  23.36031       
34.99755  -9.728698      27.37552  33.28236 16.19408 27.25544 13.47169 
6.026917       21.06500 
1 1 1 -13 49 8  o 42.25345 17.03372 43.59993       22.53185  19.47293       
33.37130  63.81398       30.54557  32.61720 15.85719 44.31705 18.98565 
-11.69985      24.73672 
1 1 1 -12 0  1  o 189.3410 6.739302 366.2009       25.87386  366.2009       
25.87386  366.2009       25.87386  189.3410 6.739302 189.3410 6.739302 
-0.000000      0.000000 
1 1 1 -12 0  2  o 148.2828 7.372112 225.4163       22.10439  225.4163       
22.10439  225.4163       22.10439  148.2828 7.372112 148.2828 7.372112 
0.000000       0.000000 
1 1 1 -12 0  3  o 164.6152 6.787785 277.1184       22.63433  277.1184       
22.63433  277.1184       22.63433  164.6152 6.787785 164.6152 6.787785 
0.000000       0.000000 
1 1 1 -12 0  4  o 288.8132 5.928439 849.6106       34.78529  849.6106       
34.78529  849.6106       34.78529  288.8132 5.928439 288.8132 5.928439 
-0.000000      0.000000 
1 1 1 -12 0  5  o 611.2073 8.131452 3803.844       101.0264  3803.844       
101.0264  3803.844       101.0264  611.2073 8.131452 611.2073 8.131452 
-0.000000      0.000000 
1 1 1 -12 0  6  o 772.6699 9.726299 6081.008       152.7700  6081.008       
152.7700  6081.008       152.7700  772.6699 9.726299 772.6699 9.726299 
-0.000000      0.000000 
1 1 1 -12 0  7  o 268.3651 5.982520 733.7295       32.61175  733.7295       
32.61175  733.7295       32.61175  268.3651 5.982520 268.3651 5.982520 
0.000000       0.000000 
1 1 1 -12 0  8  o 200.2328 6.208512 409.0571       25.22481  409.0571       
25.22481  409.0571       25.22481  200.2328 6.208512 200.2328 6.208512 
-0.000000      0.000000 
1 1 1 -12 0  9  o 396.7648 6.485995 1602.960       52.29973  1602.960       
52.29973  1602.960       52.29973  396.7648 6.485995 396.7648 6.485995 
-0.000000      0.000000 
1 1 1 -12 0  10 o 325.0033 8.792766 1077.788       58.01569  1077.788       
58.01569  1077.788       58.01569  325.0033 8.792766 325.0033 8.792766 
0.000000       0.000000 
1 1 1 -12 0  11 o 271.0008 8.876864 750.3053       48.80053  750.3053       
48.80053  750.3053       48.80053  271.0008 8.876864 271.0008 8.876864 
0.000000       0.000000 
1 1 1 -12 0  12 o 245.6934 6.353440 615.5964       31.69545  615.5964       
31.69545  615.5964       31.69545  245.6934 6.353440 245.6934 6.353440 
0.000000       0.000000 
1 1 1 -12 0  13 o 258.5855 8.970339 683.9189       47.04115  683.9189       
47.04115  683.9189       47.04115  258.5855 8.970339 258.5855 8.970339 
-0.000000      0.000000 
1 1 1 -12 0  14 f 177.7589 7.092106 323.3935       25.54375  323.3935       
25.54375  323.3935       25.54375  177.7589 7.092106 177.7589 7.092106 
0.000000       0.000000 
1 1 1 -12 0  15 o 182.2624 7.051175 340.0226       26.04542  340.0226       
26.04542  340.0226       26.04542  182.2624 7.051175 182.2624 7.051175 
-0.000000      0.000000 
1 1 1 -12 0  16 o 31.89381 18.06608 13.91839       18.07737  13.91839       
18.07737  13.91839       18.07737  31.89381 18.06608 31.89381 18.06608 
0.000000       0.000000 
1 1 1 -12 0  17 o 159.7899 7.746562 262.4372       25.03665  262.4372       
25.03665  262.4372       25.03665  159.7899 7.746562 159.7899 7.746562 
0.000000       0.000000 
1 1 1 -12 0  18 o 588.3253 8.356911 3540.201       99.93492  3540.201       
99.93492  3540.201       99.93492  588.3253 8.356911 588.3253 8.356911 
0.000000       0.000000 
1 1 1 -12 0  19 o 48.46081 21.24927 35.33069       21.86325  35.33069       
21.86325  35.33069       21.86325  48.46081 21.24927 48.46081 21.24927 
0.000000       0.000000 
1 1 1 -12 0  20 o 26.18590 17.00723 -0.4420966     21.66416  -0.4420966     
21.66416  -0.4420966     21.66416  26.18590 17.00723 26.18590 17.00723 
-0.000000      0.000000 
1 1 1 -12 0  21 o 148.7680 12.68219 234.3213       37.72532  234.3213       
37.72532  234.3213       37.72532  148.7680 12.68219 148.7680 12.68219 
0.000000       0.000000 
1 1 1 -12 0  22 o 65.84641 20.67731 57.48288       24.30981  57.48288       
24.30981  57.48288       24.30981  65.84641 20.67731 65.84641 20.67731 
0.000000       0.000000 
1 1 1 -12 0  23 o 64.58169 21.75282 57.62651       25.53354  57.62651       
25.53354  57.62651       25.53354  64.58169 21.75282 64.58169 21.75282 
0.000000       0.000000 
1 1 1 -12 0  24 o 28.13845 18.29265 1.770562       25.14209  1.770562       
25.14209  1.770562       25.14209  28.13845 18.29265 28.13845 18.29265 
-0.000000      0.000000 
1 1 1 -12 0  25 o 196.1336 8.943501 405.1573       35.50175  405.1573       
35.50175  405.1573       35.50175  196.1336 8.943501 196.1336 8.943501 
-0.000000      0.000000 
1 1 1 -12 0  26 o 29.99053 19.26942 10.17609       26.82922  10.17609       
26.82922  10.17609       26.82922  29.99053 19.26942 29.99053 19.26942 
0.000000       0.000000 
1 1 1 -12 1  1  o 120.5002 6.924545 148.3886       16.89667  144.8892       
20.84790  155.0877       28.84495  118.8913 8.683104 122.6393 11.70838 
-3.748039      14.57678 
1 1 1 -12 1  2  o 188.7638 4.582021 362.5460       17.58844  372.8553       
24.71957  351.9754       25.03097  191.3671 6.352172 185.9208 6.620612 
5.446259       9.175107 
1 1 1 -12 1  3  o 432.2019 4.708474 1900.596       41.38265  1870.606       
57.92952  1931.849       59.13699  428.6342 6.646020 435.5916 6.676183 
-6.957458      9.420245 
1 1 1 -12 1  4  o 237.9041 4.207265 575.7670       20.35416  595.0142       
29.34575  557.9233       28.25547  241.7854 5.968478 234.1295 5.934648 
7.655899       8.416815 
1 1 1 -12 1  5  f 322.5069 4.254458 1058.078       27.90196  1073.141       
39.63046  1043.273       39.29041  324.7137 6.001739 320.1613 6.034848 
4.552429       8.511184 
1 1 1 -12 1  6  o 457.2610 4.823426 2127.287       44.85091  2192.585       
64.75533  2067.078       62.18053  464.0750 6.861767 450.6035 6.785915 
13.47147       9.650517 
1 1 1 -12 1  7  f 735.5375 6.615235 5507.504       98.94675  5534.265       
140.4604  5481.143       139.4091  736.8749 9.373652 733.3346 9.348409 
3.540344       13.23851 
1 1 1 -12 1  8  o 495.6446 5.062466 2499.645       51.02510  2497.980       
72.07987  2501.318       72.24118  495.2996 7.156400 495.6293 7.167645 
-0.3296814     10.12863 
1 1 1 -12 1  9  o 450.8071 4.853926 2067.808       44.49747  2046.279       
62.52710  2089.899       63.33860  448.2963 6.858857 453.0476 6.875008 
-4.751312      9.711315 
1 1 1 -12 1  10 o 264.0186 5.033388 709.3309       27.02379  715.7177       
33.16158  696.7048       46.62621  265.1505 6.150229 261.4386 8.770189 
3.711914       10.71175 
1 1 1 -12 1  11 o 347.9709 5.245411 1232.371       37.11709  1229.881       
64.80323  1233.587       45.28027  347.2618 9.176736 348.0578 6.397440 
-0.7959900     11.18659 
1 1 1 -12 1  12 o 350.4130 4.542514 1249.563       32.36889  1156.705       
43.93951  1359.754       47.86506  336.9968 6.411772 365.3770 6.442078 
-28.38019      9.089070 
1 1 1 -12 1  13 o 151.2911 6.204923 233.1704       19.08979  181.0580       
30.12737  268.1289       24.67557  132.5561 11.28398 162.1665 7.482635 
-29.61040      13.53950 
1 1 1 -12 1  14 o 365.0449 4.670106 1356.659       34.66766  1379.554       
49.38219  1334.410       48.68028  367.8772 6.601096 361.8058 6.616466 
6.071320       9.346234 
1 1 1 -12 1  15 o 101.5967 7.042588 105.8092       14.46021  95.76293       
20.05038  116.6980       20.87415  96.13682 10.42303 106.3440 9.761566 
-10.20715      14.28032 
1 1 1 -12 1  16 o 198.0755 4.840859 399.6670       19.49865  402.0007       
27.56317  397.3293       27.58737  198.4687 6.829449 197.3072 6.875685 
1.161499       9.691048 
1 1 1 -12 1  17 o 222.3773 4.879370 503.9000       22.06508  511.3853       
31.53953  496.7243       30.88040  223.7763 6.930901 220.5515 6.885276 
3.224762       9.769566 
1 1 1 -12 1  18 o 181.2284 5.251390 334.8777       19.35316  354.0620       
27.74158  316.6892       27.01202  186.1013 7.330443 175.9769 7.548316 
10.12448       10.52200 
1 1 1 -12 1  19 o 201.8254 6.059110 415.8833       24.86773  405.9858       
30.26332  436.4595       43.63499  199.1953 7.471127 205.6598 10.46819 
-6.464493      12.86082 
1 1 1 -12 1  20 o 148.0042 6.265201 223.8321       18.85648  221.2260       
26.69773  226.4263       26.63655  146.4869 9.006041 148.2334 8.877363 
-1.746460      12.64580 
1 1 1 -12 1  21 o 324.0983 6.991539 1075.224       46.07878  1068.797       
65.12468  1081.667       65.20587  322.0246 9.945008 323.9785 9.897352 
-1.953949      14.03071 
1 1 1 -12 1  22 o 124.3745 7.577616 159.1965       19.07388  165.4403       
27.00970  152.9851       26.93952  126.0793 10.63401 121.0916 11.06235 
4.987694       15.34463 
1 1 1 -12 1  23 o 28.11547 12.95348 -12.39103      17.14226  -13.89410      
24.05371  -10.83975      24.43644  34.14134 15.58503 35.42934 15.98766 
-1.287998      22.32708 
1 1 1 -12 1  24 o 125.4525 7.984635 162.8964       20.26381  135.1244       
28.37144  191.8168       28.95209  112.7027 12.59466 135.2992 10.60784 
-22.59657      16.46668 
1 1 1 -12 1  25 o 56.44707 16.20013 35.93263       19.56841  44.69128       
28.38562  28.00047       27.01317  62.42591 19.86557 52.79433 19.30170 
9.631580       27.69831 
1 1 1 -12 1  26 o 97.72713 10.65237 102.6093       20.82672  97.23635       
29.62600  107.8588       29.28384  91.87244 16.46222 97.64174 15.24660 
-5.769302      22.43799 
1 1 1 -12 2  1  o 369.4993 5.238069 1389.624       39.35829  1325.278       
46.64143  1548.763       73.35003  360.7550 6.357817 389.6566 9.256927 
-28.90155      11.22998 
1 1 1 -12 2  2  o 333.9731 5.057573 1135.057       34.34829  1102.008       
40.99697  1212.892       62.91596  329.0089 6.127633 344.9164 8.970064 
-15.90750      10.86324 
1 1 1 -12 2  3  o 116.8215 6.962531 139.4612       16.46513  145.8620       
20.18789  126.7438       28.45566  119.3530 8.370725 110.6275 12.89066 
8.725418       15.37004 
1 1 1 -12 2  4  o 373.1875 5.126732 1417.122       38.90623  1440.457       
47.83672  1371.524       66.86915  376.1776 6.253413 366.8468 8.963749 
9.330811       10.92950 
1 1 1 -12 2  5  o 215.2254 4.302770 471.2307       18.83186  530.1374       
27.31364  417.8562       25.99947  228.2302 5.885115 202.6100 6.310331 
25.62024       8.628723 
1 1 1 -12 2  6  o 479.9850 4.956538 2344.071       48.37907  2431.775       
70.12263  2264.404       66.83257  488.7123 7.055917 471.6022 6.968847 
17.11011       9.917197 
1 1 1 -12 2  7  o 171.5722 4.608355 299.4824       16.07845  287.3068       
22.72831  311.6796       22.74843  167.9946 6.653043 174.9835 6.392975 
-6.988861      9.226761 
1 1 1 -12 2  8  o 845.2197 7.413287 7275.180       127.4183  7302.747       
180.7977  7247.977       179.6017  846.1490 10.50738 842.9776 10.47715 
3.171387       14.83832 
1 1 1 -12 2  9  o 31.07156 13.02922 1.407112       13.87384  3.322560       
17.07076  -2.319793      23.81177  35.27079 14.59314 38.68059 16.67007 
-3.409805      22.15516 
1 1 1 -12 2  10 o 70.39227 11.16806 51.82216       15.45274  53.51444       
18.59659  48.04720       27.77496  71.20212 13.33369 67.51261 19.27653 
3.689507       23.43868 
1 1 1 -12 2  11 o 113.8700 7.734025 132.7335       17.80263  176.5909       
32.32212  113.6347       21.32958  130.8580 12.29042 105.0402 10.11052 
25.81782       15.91468 
1 1 1 -12 2  12 o 318.3774 4.445184 1031.500       28.77951  1053.755       
41.14389  1010.180       40.27090  321.6587 6.290116 314.9379 6.288034 
6.720734       8.894095 
1 1 1 -12 2  13 o 148.6487 6.143805 225.0918       18.57162  234.2893       
31.88214  220.3682       22.84826  151.0329 10.44480 146.8040 7.680254 
4.228836       12.96457 
1 1 1 -12 2  14 o 225.8938 5.284246 519.6950       24.27386  530.5327       
30.48072  500.9052       40.13451  228.1342 6.570272 221.4353 8.912913 
6.698914       11.07287 
1 1 1 -12 2  15 o 180.2131 5.032140 330.7946       18.44126  365.9124       
26.65821  298.5672       25.53762  189.3893 6.921880 171.0400 7.342287 
18.34927       10.09067 
1 1 1 -12 2  16 o 107.1057 6.757538 117.5291       14.64267  107.3450       
20.47868  128.1821       20.94491  101.8595 10.01616 111.5087 9.322239 
-9.649200      13.68311 
1 1 1 -12 2  17 o 458.7185 5.147642 2144.704       48.01822  2158.038       
68.12459  2131.539       67.69351  459.5830 7.289345 456.7530 7.288098 
2.830017       10.30781 
1 1 1 -12 2  18 o 437.9842 5.096243 1955.623       45.38998  1956.649       
63.99007  1954.584       64.39410  437.5274 7.192103 437.2807 7.241597 
0.2467041      10.20623 
1 1 1 -12 2  19 o 150.7610 6.941567 232.3637       21.28129  222.3351       
25.84272  253.4934       37.51150  146.9963 8.683851 156.2150 11.89784 
-9.218643      14.72983 
1 1 1 -12 2  20 o 262.1903 4.998970 701.1833       26.65315  756.3856       
38.44382  650.0911       36.98497  271.9138 6.952548 252.0253 7.216553 
19.88852       10.02081 
1 1 1 -12 2  21 o 101.3413 10.32584 107.0094       20.98232  113.1258       
26.41836  96.55893       34.53231  103.5757 12.81644 93.71092 18.77535 
9.864761       22.73269 
1 1 1 -12 2  22 o 32.22974 13.93830 -1.387549      16.76398  21.12244       
24.00259  -22.82485      23.42371  49.15274 18.15847 31.13521 14.60955 
18.01753       23.30599 
1 1 1 -12 2  23 o 36.49863 14.86891 6.166718       17.37362  0.7447611      
25.00187  11.22958       24.15977  40.00702 17.15892 43.95847 17.66741 
-3.951454      24.62855 
1 1 1 -12 2  24 o 91.57772 10.53068 88.41955       19.25394  91.61238       
27.62854  85.40488       26.84665  91.49194 15.39667 88.21696 15.53267 
3.274979       21.87056 
1 1 1 -12 2  25 o 168.5799 8.017955 294.5616       27.48660  291.7190       
33.59755  300.3149       47.79801  166.6368 9.960440 166.3288 14.26976 
0.3079681      17.40220 
1 1 1 -12 2  26 o 50.51024 16.35601 28.76289       19.17843  43.39518       
27.58735  15.07708       26.68019  60.39351 19.62156 45.40984 18.45423 
14.98367       26.93630 
1 1 1 -12 3  1  o 193.4424 5.215602 380.8694       20.51670  369.8593       
25.20675  402.4811       35.31557  190.5710 6.504422 198.6684 8.741500 
-8.097458      10.89593 
1 1 1 -12 3  2  o 200.6485 5.122905 409.7149       20.90276  404.3174       
25.93592  419.7186       35.30878  199.2725 6.400337 202.9210 8.556660 
-3.648499      10.68554 
1 1 1 -12 3  3  o 152.1758 5.001171 235.6417       15.47636  247.2704       
22.26299  224.7669       21.52920  155.8262 7.025733 148.5631 7.126321 
7.263107       10.00727 
1 1 1 -12 3  4  o 138.0390 5.198147 193.8967       14.59157  195.3736       
20.93382  192.5012       20.34976  138.3043 7.470942 137.2937 7.315198 
1.010574       10.45596 
1 1 1 -12 3  5  f 391.4255 4.512239 1558.728       35.91639  1616.059       
51.84510  1505.824       49.80330  398.4428 6.398679 384.6156 6.367659 
13.82715       9.027191 
1 1 1 -12 3  6  o 204.2210 5.110383 424.3644       21.22293  411.6375       
25.61375  452.2386       37.90639  201.0986 6.263438 210.6681 8.848347 
-9.569565      10.84084 
1 1 1 -12 3  7  f 230.7692 4.973764 541.8502       23.34073  524.9620       
28.21443  578.4672       41.54514  227.1042 6.109344 238.2758 8.574107 
-11.17152      10.52803 
1 1 1 -12 3  8  o 668.6804 7.132959 4553.020       96.99287  4450.647       
116.3737  4785.916       175.5276  660.8895 8.659135 684.4976 12.61020 
-23.60809      15.29698 
1 1 1 -12 3  9  o 63.83072 13.89016 43.27866       17.51739  43.27866       
17.51739  0.000000       0.000000  63.83072 13.89016 ?        ?        
0.000000       13.89016 
1 1 1 -12 3  10 o 157.9866 5.176239 254.0090       16.62976  262.5977       
23.02280  244.6395       24.04664  160.5741 7.050683 154.9643 7.630821 
5.609756       10.38949 
1 1 1 -12 3  11 o 598.4183 6.655125 3647.080       80.98647  3687.351       
141.9089  3627.630       98.62410  600.7036 11.61710 596.5792 8.129494 
4.124329       14.17906 
1 1 1 -12 3  12 o 103.9938 7.887437 110.8841       16.55574  134.9538       
28.92064  99.15159       20.19149  114.1260 12.67568 97.99659 10.28566 
16.12941       16.32384 
1 1 1 -12 3  13 o 93.63302 7.827493 90.03690       14.76731  93.75438       
21.38323  86.64732       20.41842  95.06537 11.28130 91.34961 11.22806 
3.715759       15.91657 
1 1 1 -12 3  14 o 215.1685 5.361519 471.5491       23.45945  471.2305       
29.28420  472.1198       39.19471  214.9920 6.698224 214.9665 8.966136 
0.2554321E-01  11.19186 
1 1 1 -12 3  15 o 476.1511 5.152577 2309.517       49.89083  2350.989       
71.52790  2270.224       69.62323  479.9500 7.328719 471.6507 7.259091 
8.299286       10.31526 
1 1 1 -12 3  16 o 194.6418 4.911327 385.9628       19.43956  379.6446       
27.05880  392.7021       27.94604  192.8582 6.899520 196.1349 7.006706 
-3.276688      9.833479 
1 1 1 -12 3  17 o 202.0262 5.008590 415.9507       20.57664  386.1824       
28.50991  448.3167       29.72782  194.4218 7.211065 209.5113 6.977571 
-15.08946      10.03424 
1 1 1 -12 3  18 f 215.7393 5.014803 474.4590       22.00061  524.3146       
32.04743  430.0189       30.25685  226.5219 6.957154 205.0994 7.254507 
21.42252       10.05136 
1 1 1 -12 3  19 o 43.91066 15.65038 17.53379       17.62155  9.708780       
20.58835  38.96809       34.07483  41.13604 16.38578 62.78385 21.81351 
-21.64781      27.28228 
1 1 1 -12 3  20 f 115.2489 7.569290 136.6120       17.64096  109.6336       
24.66712  164.8556       25.23887  102.2139 12.10245 126.1669 9.917163 
-23.95306      15.64670 
1 1 1 -12 3  21 o 179.0556 6.677382 328.0104       24.31340  309.6435       
30.09895  362.4998       41.24543  173.6330 8.524475 186.9754 10.89497 
-13.34242      13.83355 
1 1 1 -12 3  22 o 303.3632 5.187325 939.4974       32.00058  973.5955       
46.03695  907.6198       44.51284  308.1976 7.345576 297.5685 7.356089 
10.62912       10.39565 
1 1 1 -12 3  23 o 78.37787 12.00126 65.38721       18.51909  59.11188       
26.47290  71.40123       25.91587  72.83707 17.98121 80.62594 16.36570 
-7.788872      24.31378 
1 1 1 -12 3  24 o 63.22425 14.78911 44.20694       18.67559  24.44834       
25.82920  65.85268       27.03455  51.15913 18.84814 76.45330 17.73276 
-25.29417      25.87862 
1 1 1 -12 3  25 o 44.28522 17.09645 16.26633       21.82440  11.07246       
26.79311  26.50728       37.62249  44.53150 18.33976 55.73613 22.16643 
-11.20464      28.76973 
1 1 1 -12 3  26 o 81.81594 12.45755 73.71842       20.07194  103.7764       
28.13015  42.54148       28.64898  95.89725 14.90925 59.88710 20.02008 
36.01015       24.96176 
1 1 1 -12 4  1  o 73.80786 9.096809 56.40174       13.36452  43.06630       
19.17063  69.01061       18.64107  63.54133 15.06540 81.36758 11.59384 
-17.82625      19.01009 
1 1 1 -12 4  2  o 236.3181 4.904263 568.3015       23.56797  552.3828       
28.88839  599.9832       40.75430  232.9317 6.098785 242.6297 8.259963 
-9.698029      10.26753 
1 1 1 -12 4  3  o 281.9589 4.869480 808.9481       27.92028  797.7831       
34.42617  830.4057       47.72535  279.9491 6.047255 285.4747 8.221103 
-5.525635      10.20568 
1 1 1 -12 4  4  o 620.6595 5.822392 3920.749       73.48628  3856.839       
102.6001  3988.071       105.3032  615.2733 8.200274 625.6415 8.276838 
-10.36823      11.65120 
1 1 1 -12 4  5  o 272.3820 5.958799 755.1323       33.00567  755.1323       
33.00567  0.000000       0.000000  272.3820 5.958799 ?        ?        
0.000000       5.958799 
1 1 1 -12 4  6  o 360.2595 6.224832 1321.083       45.60311  1321.083       
45.60311  0.000000       0.000000  360.2595 6.224832 ?        ?        
0.000000       6.224832 
1 1 1 -12 4  7  o 227.0765 4.282114 524.5584       19.77342  533.6619       
27.88422  515.3502       28.04415  228.9810 5.988357 225.0126 6.128920 
3.968338       8.568785 
1 1 1 -12 4  8  o 125.0052 6.481510 159.5064       16.41959  157.8701       
20.52314  162.4165       27.36919  124.2162 8.170419 125.7107 10.81146 
-1.494461      13.55151 
1 1 1 -12 4  9  o 373.4058 5.191682 1418.892       39.42218  1404.087       
48.27707  1448.519       68.29549  371.3720 6.392640 376.9759 8.908960 
-5.603821      10.96519 
1 1 1 -12 4  10 o 269.4090 4.363082 738.4581       23.90324  769.3864       
34.34613  709.4073       33.28732  274.9057 6.143878 263.9697 6.201165 
10.93600       8.729358 
1 1 1 -12 4  11 o 98.00971 7.159332 98.37945       14.17026  93.75639       
19.71835  103.3167       20.37745  95.27911 10.34316 100.0994 10.15117 
-4.820259      14.49232 
1 1 1 -12 4  12 o 212.8432 8.947958 462.2386       38.72890  0.000000       
0.000000  462.2386       38.72890  ?        ?        212.8432 8.947958 
0.000000       8.947958 
1 1 1 -12 4  13 o 177.5856 5.661682 321.1837       20.44583  306.7434       
25.44349  347.5052       34.35120  173.4585 7.213229 184.4734 9.157075 
-11.01491      11.65687 
1 1 1 -12 4  14 o 117.4065 7.300053 141.1479       17.34259  118.0394       
21.78787  181.1042       28.64981  106.9403 10.14015 132.5725 10.71886 
-25.63219      14.75522 
1 1 1 -12 4  15 o 116.9822 7.286182 140.2048       17.24686  128.8051       
21.68108  159.8490       28.46111  111.7769 9.632505 124.3040 11.38591 
-12.52717      14.91389 
1 1 1 -12 4  16 o 56.58748 13.42599 34.34563       15.21690  19.26479       
18.91780  61.98794       25.61209  45.92459 16.23202 75.73980 17.04128 
-29.81521      23.53473 
1 1 1 -12 4  17 o 346.6451 5.438133 1225.150       38.33419  1228.587       
47.31775  1218.587       65.39093  346.8819 6.707970 344.7948 9.326215 
2.087097       11.48804 
1 1 1 -12 4  18 o 281.4848 4.814564 807.5562       27.55899  796.8754       
38.05462  819.3358       39.96406  279.3040 6.700060 283.1650 6.940305 
-3.860992      9.646690 
1 1 1 -12 4  19 o 78.48067 11.61815 64.90593       17.98153  75.16864       
21.58578  41.63763       32.50267  84.23423 13.02167 63.70444 21.32397 
20.52979       24.98551 
1 1 1 -12 4  20 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -12 4  21 o 100.3523 9.152594 104.4249       18.47222  112.9210       
25.32319  94.76262       27.00519  103.6233 12.25467 94.14223 14.57742 
9.481049       19.04411 
1 1 1 -12 4  22 o 53.49905 15.25798 30.91490       17.41180  49.69491       
24.23433  10.87653       25.03309  67.13560 17.55319 44.51009 17.95048 
22.62550       25.10645 
1 1 1 -12 4  23 o 183.0873 6.272973 343.2087       23.35518  321.7786       
32.45937  366.2126       33.63015  176.3881 9.080198 188.5002 8.773355 
-12.11211      12.62623 
1 1 1 -12 4  24 o 47.47679 15.83069 23.34275       17.91448  23.45552       
25.77244  23.23734       24.91892  50.58118 18.79019 50.10080 18.50320 
0.4803734      26.37119 
1 1 1 -12 4  25 o 154.6018 8.228454 248.7743       25.77616  260.7478       
32.01904  226.7257       43.44981  157.4037 10.05578 143.7249 15.09167 
13.67882       18.13497 
1 1 1 -12 4  26 o 45.83550 16.21725 22.10180       18.88808  52.89167       
27.13237  -6.850245      26.31015  66.09652 19.10688 36.89557 16.62483 
29.20095       25.32702 
1 1 1 -12 5  1  o 348.7144 5.102099 1237.693       36.18014  1172.932       
61.64674  1271.721       44.68541  339.1038 8.939765 353.3862 6.218200 
-14.28247      10.88969 
1 1 1 -12 5  2  f 325.5201 5.067383 1078.387       33.54385  1115.592       
59.39824  1060.965       40.64557  330.7798 8.830456 322.8072 6.191823 
7.972656       10.78497 
1 1 1 -12 5  3  o 229.1171 4.986814 534.1815       23.23443  509.3756       
28.75514  580.8377       39.43594  223.6790 6.321772 238.7533 8.122530 
-15.07434      10.29273 
1 1 1 -12 5  4  o 385.7120 5.163655 1513.920       40.50157  1479.007       
49.24707  1586.885       71.19443  381.1585 6.353650 394.5829 8.872711 
-13.42432      10.91301 
1 1 1 -12 5  5  o 134.0656 5.901309 182.9375       16.08856  168.9585       
20.21542  207.0884       26.57131  128.5595 7.769129 142.2374 9.236461 
-13.67787      12.06945 
1 1 1 -12 5  6  o 131.2031 6.012176 175.2131       16.04085  178.9081       
20.09672  168.7263       26.62753  132.3293 7.499061 128.2116 10.29990 
4.117722       12.74064 
1 1 1 -12 5  7  o 179.5918 5.206878 328.2007       19.01583  328.4095       
23.66183  327.8200       31.95387  179.6098 6.478387 179.3572 8.760989 
0.2525940      10.89607 
1 1 1 -12 5  8  o 257.6363 4.889814 675.3821       25.61834  694.0235       
32.02946  642.2793       42.68174  261.1184 6.031991 251.0688 8.359838 
10.04964       10.30882 
1 1 1 -12 5  9  o 85.20416 7.695923 74.55524       13.19046  77.98216       
18.28786  70.83933       19.04331  86.78483 10.58168 82.48240 11.67996 
4.302429       15.76050 
1 1 1 -12 5  10 f 296.4342 4.359557 894.0566       26.27980  907.5281       
37.31124  880.7938       37.02097  298.5619 6.145452 294.1287 6.189549 
4.433228       8.722219 
1 1 1 -12 5  11 o 247.1545 4.408973 621.5658       22.15937  619.5059       
31.51373  623.5804       31.16534  246.6485 6.283041 247.4637 6.193111 
-0.8151703     8.822201 
1 1 1 -12 5  12 o 189.7460 6.740520 366.8214       26.00863  0.000000       
0.000000  366.8214       26.00863  ?        ?        189.7460 6.740520 
0.000000       6.740520 
1 1 1 -12 5  13 o 77.06016 8.897908 61.42802       13.68710  65.56039       
19.39681  57.32985       19.31640  79.03442 12.48325 73.62758 13.39478 
5.406837       18.30988 
1 1 1 -12 5  14 o 224.7408 5.375201 514.4781       24.56564  480.6773       
30.23908  580.0804       42.12736  217.1110 6.849128 238.2937 8.693613 
-21.18266      11.06750 
1 1 1 -12 5  15 o 214.2172 4.746461 467.3489       20.67644  425.0301       
28.57939  513.8259       29.95057  204.1039 6.885734 224.4492 6.561990 
-20.34528      9.511731 
1 1 1 -12 5  16 o 42.28917 13.51574 18.08703       13.12856  13.21275       
18.02292  23.59726       19.16264  41.49830 15.65366 48.95610 16.37336 
-7.457806      22.65224 
1 1 1 -12 5  17 o 159.1644 5.543769 258.3304       17.94331  254.9301       
24.66578  262.1525       26.15060  157.9028 7.681636 159.8783 8.069483 
-1.975540      11.14110 
1 1 1 -12 5  18 o 369.4572 4.867453 1391.323       36.56936  1427.956       
52.38819  1356.509       51.07074  373.8240 6.891515 364.3517 6.892869 
9.472382       9.747031 
1 1 1 -12 5  19 o 110.7103 7.626941 126.0535       17.06602  108.3004       
23.25366  146.7786       25.12480  101.8222 11.42773 118.9404 10.49539 
-17.11825      15.51600 
1 1 1 -12 5  20 o 70.01801 14.15514 52.87409       19.46169  81.23323       
34.08334  39.15457       23.70637  85.59259 19.95049 60.29538 17.97818 
25.29721       26.85585 
1 1 1 -12 5  21 o 306.3037 5.175479 957.5747       32.23697  957.2678       
45.88374  957.8739       45.30176  305.6569 7.381987 305.7841 7.285322 
-0.1272583     10.37158 
1 1 1 -12 5  22 o 163.9650 6.665832 275.2126       22.22578  283.0491       
31.89564  267.8157       30.98800  165.4406 9.520821 160.9151 9.512161 
4.525436       13.45835 
1 1 1 -12 5  23 o 79.84891 13.59705 68.65431       21.28709  88.53780       
26.80967  34.73342       35.01698  90.40190 15.11734 60.09761 21.97529 
30.30429       26.67297 
1 1 1 -12 5  24 o 160.2865 7.774712 264.8735       25.34153  284.0963       
32.04100  232.7619       41.41224  165.1533 9.581601 147.4398 13.97926 
17.71349       16.94776 
1 1 1 -12 5  25 o 61.29048 19.83168 43.08945       28.19938  43.08945       
28.19938  0.000000       0.000000  61.29048 19.83168 ?        ?        
0.000000       19.83168 
1 1 1 -12 5  26 o 44.64984 17.46283 17.35747       22.99981  -8.850470      
28.23461  69.04894       39.65290  37.56654 17.04633 73.02318 23.50514 
-35.45664      29.03565 
1 1 1 -12 6  1  o 141.6452 5.421501 204.2450       15.61611  232.4460       
23.05613  180.3428       21.22621  151.0241 7.507387 132.7759 7.897053 
18.24820       10.89607 
1 1 1 -12 6  2  o 718.6605 6.507398 5259.494       95.10045  4907.975       
126.5528  5715.519       144.1421  693.7444 8.970583 748.5193 9.469705 
-54.77490      13.04403 
1 1 1 -12 6  3  o 542.5345 10.54008 3003.962       116.2848  0.000000       
0.000000  3003.962       116.2848  ?        ?        542.5345 10.54008 
0.000000       10.54008 
1 1 1 -12 6  4  o 356.9928 5.029126 1296.841       36.50929  1279.286       
44.99956  1330.654       62.45234  354.4919 6.242383 361.3495 8.499039 
-6.857574      10.54519 
1 1 1 -12 6  5  o 242.3863 5.892882 597.9923       29.04606  648.0576       
44.04517  559.4640       38.63849  252.1795 8.588889 234.3376 8.108243 
17.84193       11.81155 
1 1 1 -12 6  6  o 571.5969 7.781508 3328.034       90.44927  3318.327       
128.7280  3337.499       127.1164  570.2290 11.10126 571.9060 10.93013 
-1.677002      15.57902 
1 1 1 -12 6  7  o 474.5788 6.968169 2293.371       67.24785  2316.863       
97.12151  2271.735       93.20499  476.6308 10.02033 472.0096 9.710396 
4.621277       13.95345 
1 1 1 -12 6  8  o 537.0197 6.136734 2935.699       67.01606  2932.881       
82.45845  2941.183       115.0200  536.5994 7.556724 536.9083 10.53469 
-0.3088379     12.96471 
1 1 1 -12 6  9  o 509.1002 5.165918 2637.609       53.48133  2618.628       
75.33953  2656.889       75.93200  507.0418 7.306808 510.7321 7.311058 
-3.690308      10.33639 
1 1 1 -12 6  10 o 221.9669 4.452903 501.3103       20.09939  498.8526       
28.39177  503.7795       28.45802  221.3430 6.307761 222.4341 6.291464 
-1.091156      8.909005 
1 1 1 -12 6  11 o 81.16610 9.443643 68.12398       15.29573  66.09776       
25.65719  69.24115       19.05137  78.75025 16.54744 81.45608 11.84874 
-2.705826      20.35216 
1 1 1 -12 6  12 o 263.1898 6.279151 705.5937       33.60635  0.000000       
0.000000  705.5937       33.60635  ?        ?        263.1898 6.279151 
0.000000       6.279151 
1 1 1 -12 6  13 o 53.21180 12.33286 30.18108       13.08449  44.06771       
18.45873  16.15658       18.55014  64.22070 14.48006 43.85300 16.00064 
20.36769       21.57991 
1 1 1 -12 6  14 o 286.0051 4.539461 832.8006       26.40155  796.3513       
36.51141  872.7457       38.22218  279.4919 6.424036 292.5908 6.423966 
-13.09897      9.084909 
1 1 1 -12 6  15 o 187.5783 4.896552 358.3947       18.67774  365.6041       
26.52234  351.3015       26.30760  189.2903 6.890204 185.5430 6.972449 
3.747345       9.802549 
1 1 1 -12 6  16 o 132.1806 5.867666 178.1698       15.77192  154.3078       
21.84342  204.1603       22.79684  122.4728 8.829830 141.0962 7.977944 
-18.62340      11.90015 
1 1 1 -12 6  17 o 301.0930 4.627205 923.6715       28.33158  912.4847       
39.66022  935.3293       40.48638  298.9605 6.523638 302.6694 6.577926 
-3.708893      9.264284 
1 1 1 -12 6  18 o 393.3937 4.939344 1577.628       39.51374  1609.282       
56.57845  1547.489       55.20848  396.7984 7.011802 389.1158 6.977109 
7.682617       9.891685 
1 1 1 -12 6  19 o 31.19137 13.22105 0.8111157      14.53557  10.72619       
20.58155  -9.055640      20.53134  41.64856 16.44820 32.81056 14.74423 
8.837994       22.08927 
1 1 1 -12 6  20 o 233.2457 7.224320 556.9822       34.26589  0.000000       
0.000000  556.9822       34.26589  ?        ?        233.2457 7.224320 
0.000000       7.224320 
1 1 1 -12 6  21 o 85.91493 9.849635 77.04546       16.89753  90.51302       
24.03648  63.88665       23.75936  92.35112 13.17230 76.61514 15.77547 
15.73598       20.55176 
1 1 1 -12 6  22 o 102.2930 9.131736 108.5906       18.79577  109.0579       
27.11382  108.1582       26.07886  101.3308 13.49367 101.0601 12.99064 
0.2707443      18.73062 
1 1 1 -12 6  23 o 172.9635 6.381277 306.4540       22.44468  338.6175       
32.02907  275.4200       31.46168  181.2398 8.690392 162.9639 9.535336 
18.27589       12.90138 
1 1 1 -12 6  24 o 75.55789 12.45483 61.56663       18.46988  52.95947       
26.31600  69.92251       25.92902  68.26608 18.49678 79.09232 16.64801 
-10.82624      24.88548 
1 1 1 -12 6  25 o 92.42236 12.62328 92.71125       23.10432  96.63917       
28.33756  84.92262       39.90359  92.96282 15.53845 83.05592 22.89079 
9.906906       27.66643 
1 1 1 -12 6  26 o 59.47900 17.05565 41.79192       21.69817  46.34361       
38.99426  39.75048       26.11454  62.32433 23.12073 57.95721 19.10335 
4.367111       29.99177 
1 1 1 -12 7  1  o 214.5958 4.450404 468.6320       19.42102  466.2949       
27.90487  470.8275       27.04621  213.9625 6.413439 215.0131 6.185718 
-1.050583      8.910404 
1 1 1 -12 7  2  o 365.5471 4.433922 1359.667       32.95966  1303.914       
45.73449  1419.914       47.54205  357.8392 6.284988 373.4194 6.260797 
-15.58026      8.871226 
1 1 1 -12 7  3  o 384.7156 4.493006 1505.935       35.15024  1524.661       
50.00412  1487.643       49.42090  386.9644 6.354529 382.2375 6.358079 
4.726868       8.989172 
1 1 1 -12 7  4  o 258.3266 4.755860 679.0173       24.98329  721.6364       
31.83556  610.6927       40.30869  266.2583 5.879738 244.8136 8.096766 
21.44464       10.00644 
1 1 1 -12 7  5  o 232.6075 4.764164 550.5270       22.53522  520.1564       
27.54504  612.0006       39.18870  226.0535 5.992123 245.1002 7.862592 
-19.04666      9.885641 
1 1 1 -12 7  6  o 263.1093 4.773900 704.3690       25.54235  716.3416       
32.07924  683.6317       42.21890  265.2843 5.946495 259.0411 8.014691 
6.243195       9.979783 
1 1 1 -12 7  7  o 381.1305 5.123111 1478.170       39.70625  1482.547       
49.04317  1469.842       67.64766  381.6129 6.319811 379.7565 8.759839 
1.856415       10.80161 
1 1 1 -12 7  8  o 661.6321 6.108086 4456.325       82.18132  4492.987       
117.1697  4420.826       115.2968  663.9418 8.678288 658.6013 8.608809 
5.340515       12.22392 
1 1 1 -12 7  9  o 261.3929 4.271382 695.1525       22.70460  697.6835       
32.46618  692.7299       31.76364  261.7836 6.098700 260.8586 5.987890 
0.9250488      8.546868 
1 1 1 -12 7  10 o 405.4001 5.406781 1672.867       44.57322  1522.934       
74.32990  1757.058       55.69917  386.3738 9.460291 415.3662 6.594261 
-28.99237      11.53176 
1 1 1 -12 7  11 o 242.2006 6.111078 597.3779       30.09847  0.000000       
0.000000  597.3779       30.09847  ?        ?        242.2006 6.111078 
0.000000       6.111078 
1 1 1 -12 7  12 o 268.2206 5.177993 732.4316       28.24262  710.3427       
49.92025  742.8301       34.25119  263.7653 9.306958 270.0392 6.237311 
-6.273926      11.20373 
1 1 1 -12 7  13 o 376.5558 5.363240 1444.052       41.06842  1378.122       
70.75922  1477.543       50.43193  367.2303 9.475303 380.7513 6.513476 
-13.52090      11.49812 
1 1 1 -12 7  14 o 323.9362 5.239356 1068.874       34.51348  1123.502       
62.05455  1044.408       41.52937  331.4857 9.205711 320.0674 6.380613 
11.41827       11.20077 
1 1 1 -12 7  15 o 192.2417 5.688145 376.6950       22.23666  395.9620       
39.69393  367.8830       26.84435  196.3472 9.974169 189.8641 6.952784 
6.483139       12.15834 
1 1 1 -12 7  16 o 313.4849 5.301342 1001.664       33.79512  996.5418       
58.67954  1004.206       41.33953  311.9003 9.251656 313.6922 6.480528 
-1.791870      11.29559 
1 1 1 -12 7  17 o 116.8732 6.663505 139.9368       15.77125  168.2205       
22.83248  114.1287       21.81043  127.8385 8.837188 104.9009 10.35964 
22.93761       13.61683 
1 1 1 -12 7  18 o 146.1088 5.944798 217.8908       17.66302  243.4375       
25.91041  195.7126       24.14182  153.9373 8.307875 137.9143 8.651961 
16.02303       11.99488 
1 1 1 -12 7  19 o 93.29333 8.495948 89.98665       15.94145  90.89853       
22.61039  89.08530       22.47941  92.95071 12.26127 91.98920 12.32707 
0.9615097      17.38664 
1 1 1 -12 7  20 o 84.54681 14.61957 76.71724       24.22577  0.000000       
0.000000  76.71724       24.22577  ?        ?        84.54681 14.61957 
0.000000       14.61957 
1 1 1 -12 7  21 o 200.1745 5.583667 409.2665       22.72897  366.3968       
32.09200  452.4131       32.19548  188.8725 8.355580 210.0721 7.536596 
-21.19954      11.25238 
1 1 1 -12 7  22 o 145.8946 6.985009 218.0904       20.72324  206.7509       
29.57731  229.0248       29.04414  141.0377 10.38576 148.6907 9.657902 
-7.652969      14.18235 
1 1 1 -12 7  23 o 289.3994 7.735988 861.1411       45.52657  861.1411       
45.52657  0.000000       0.000000  289.3994 7.735988 ?        ?        
0.000000       7.735988 
1 1 1 -12 7  24 o 212.8300 6.028392 464.6180       26.09071  484.7982       
37.79269  446.2420       36.06367  216.4329 8.586837 207.6680 8.539825 
8.764877       12.11042 
1 1 1 -12 7  25 o 30.97011 14.37170 -15.52081      21.66614  4.341840       
26.92451  -52.01267      36.49449  41.70352 17.84431 34.39771 16.69037 
7.305813       24.43334 
1 1 1 -12 7  26 o 84.12338 17.05276 83.23262       28.17309  0.000000       
0.000000  83.23262       28.17309  ?        ?        84.12338 17.05276 
0.000000       17.05276 
1 1 1 -12 8  1  o 448.0564 5.505546 2043.973       50.16311  2031.720       
85.87472  2050.320       61.80381  446.1209 9.465886 448.5953 6.774997 
-2.474335      11.64060 
1 1 1 -12 8  2  o 702.6866 9.025699 5036.699       128.9716  0.000000       
0.000000  5036.699       128.9716  ?        ?        702.6866 9.025699 
0.000000       9.025699 
1 1 1 -12 8  3  o 299.1862 4.212736 910.7184       25.63051  938.3214       
36.86070  884.8800       35.66298  303.5878 5.970736 294.8172 5.948582 
8.770660       8.428245 
1 1 1 -12 8  4  o 737.8517 6.625132 5543.798       99.40656  5247.906       
133.8302  5907.973       148.4713  717.4005 9.173623 761.0793 9.593145 
-43.67883      13.27342 
1 1 1 -12 8  5  o 118.6289 5.671622 143.2384       13.68199  142.5859       
19.61148  143.8572       19.09727  118.0052 8.223963 118.5582 7.967428 
-0.5529327     11.45048 
1 1 1 -12 8  6  o 142.6126 4.984811 206.9592       14.45633  224.2621       
20.63851  190.2925       20.25554  148.4021 6.838909 136.4908 7.324501 
11.91129       10.02093 
1 1 1 -12 8  7  o 510.5141 5.123460 2652.205       53.18909  2558.613       
73.30689  2756.252       77.29275  501.2184 7.192277 520.2025 7.306593 
-18.98407      10.25257 
1 1 1 -12 8  8  o 311.8028 4.249553 989.1104       26.94478  1004.752       
38.67806  974.3612       37.55796  314.1605 6.054269 309.3780 5.969819 
4.782501       8.502523 
1 1 1 -12 8  9  o 529.9549 5.272202 2858.436       56.81754  2825.829       
79.83532  2891.901       80.87912  526.6637 7.454358 532.7837 7.465073 
-6.119995      10.54963 
1 1 1 -12 8  10 o 424.7296 4.748694 1835.802       41.01456  1822.719       
58.14202  1848.762       57.86567  423.0238 6.758867 426.0441 6.679055 
-3.020294      9.502213 
1 1 1 -12 8  11 o 163.2187 5.626711 271.2449       18.67566  254.9470       
31.19783  280.3468       23.31448  157.7202 9.775312 165.8763 6.911779 
-8.156082      11.97203 
1 1 1 -12 8  12 o 245.4825 4.413353 613.3203       22.03133  584.9905       
30.75135  643.1959       31.57915  239.6237 6.310781 251.2723 6.180225 
-11.64867      8.832957 
1 1 1 -12 8  13 o 76.32693 10.38216 60.68411       15.69636  64.16151       
29.15085  59.26424       18.62726  77.14091 18.76306 74.99251 12.66574 
2.148407       22.63788 
1 1 1 -12 8  14 o 411.5883 4.785212 1725.149       40.05121  1661.062       
55.44036  1795.104       57.92310  403.5580 6.755675 419.5185 6.789680 
-15.96051      9.578042 
1 1 1 -12 8  15 o 59.33580 13.04550 37.66307       15.31217  42.29603       
19.07801  29.27550       25.66975  62.70462 15.13449 55.12857 18.94550 
7.576054       24.24839 
1 1 1 -12 8  16 o 213.0441 4.784960 462.4383       20.73000  463.0948       
29.09990  461.7619       29.53832  212.9828 6.718858 212.6617 6.830383 
0.3211212      9.581085 
1 1 1 -12 8  17 o 188.3792 5.059597 361.7448       19.38208  380.2002       
27.41769  343.3089       27.40310  192.9003 6.989508 183.2551 7.353469 
9.645203       10.14528 
1 1 1 -12 8  18 o 157.0445 6.505050 251.9431       20.77422  238.5081       
25.24012  280.1584       36.57759  152.3796 8.175258 164.5399 10.99512 
-12.16037      13.70136 
1 1 1 -12 8  19 o 183.9158 5.405239 345.1651       20.21554  362.2854       
29.18927  329.3840       28.02447  188.0855 7.631618 179.3326 7.684694 
8.752823       10.83033 
1 1 1 -12 8  20 o 171.8464 8.037760 302.9278       28.08840  0.000000       
0.000000  302.9278       28.08840  ?        ?        171.8464 8.037760 
0.000000       8.037760 
1 1 1 -12 8  21 o 78.38588 10.94321 64.73574       16.96782  94.43402       
24.77923  38.51606       23.28284  94.29736 13.29088 59.66254 17.82308 
34.63482       22.23308 
1 1 1 -12 8  22 o 132.1935 7.532516 179.8730       20.16507  169.6389       
29.63647  188.6956       27.51679  127.3082 11.57415 134.7605 10.11495 
-7.452217      15.37118 
1 1 1 -12 8  23 o 239.3910 5.629478 586.2549       27.40484  566.9688       
38.54420  605.9716       38.97192  234.6660 8.077135 242.6698 7.897409 
-8.003769      11.29642 
1 1 1 -12 8  24 o 146.2285 7.379719 220.9058       21.87353  210.2114       
31.73715  230.5821       30.18860  141.2154 11.14236 148.4118 10.06229 
-7.196411      15.01339 
1 1 1 -12 8  25 o 142.7853 7.687789 212.0714       22.23994  220.4297       
32.18213  204.4307       30.76945  143.8634 11.08595 138.5594 11.01104 
5.304016       15.62502 
1 1 1 -12 8  26 o 73.38987 18.38165 65.30395       27.37380  0.000000       
0.000000  65.30395       27.37380  ?        ?        73.38987 18.38165 
0.000000       18.38165 
1 1 1 -12 9  1  o 205.0962 4.985991 428.1971       20.79508  432.4169       
36.71448  426.2039       25.23275  205.8529 8.770595 204.5610 6.065832 
1.291901       10.66385 
1 1 1 -12 9  2  o 417.3719 4.635104 1772.784       39.33998  1744.087       
55.22026  1802.360       56.05952  413.7945 6.562393 420.6515 6.553532 
-6.856995      9.274363 
1 1 1 -12 9  3  o 149.9371 4.985204 228.7962       15.19999  204.7723       
20.95782  255.4568       22.07797  141.5830 7.304083 158.3657 6.855619 
-16.78268      10.01744 
1 1 1 -12 9  4  o 483.2586 7.028432 2378.726       69.07000  2378.726       
69.07000  0.000000       0.000000  483.2586 7.028432 ?        ?        
0.000000       7.028432 
1 1 1 -12 9  5  o 284.6244 4.194538 824.1892       24.27771  767.0906       
33.38819  888.2483       35.36472  274.5029 5.981285 295.3923 5.887347 
-20.88934      8.392653 
1 1 1 -12 9  6  o 151.8423 4.842369 234.6120       14.95210  254.2590       
21.00681  214.4377       21.28689  158.0210 6.537230 145.0972 7.214425 
12.92377       9.735671 
1 1 1 -12 9  7  o 54.68079 10.92373 31.60303       11.72167  35.11487       
16.60883  28.11802       16.54523  57.44660 14.27927 51.81919 14.90335 
5.627411       20.63995 
1 1 1 -12 9  8  o 544.3713 7.557459 3019.149       83.66090  0.000000       
0.000000  3019.149       83.66090  ?        ?        544.3713 7.557459 
0.000000       7.557459 
1 1 1 -12 9  9  o 204.2007 4.427667 424.2809       18.38584  389.8632       
25.42709  461.9943       26.61670  195.6657 6.390438 213.0109 6.144704 
-17.34520      8.865387 
1 1 1 -12 9  10 o 365.2167 5.104906 1357.636       37.91314  1301.884       
63.13079  1389.086       47.41585  357.2800 8.689227 369.3190 6.313504 
-12.03903      10.74072 
1 1 1 -12 9  11 o 78.64143 8.207129 63.75631       12.93147  71.07515       
18.89635  57.30972       17.73461  82.56552 11.57243 73.86263 12.23546 
8.702896       16.84125 
1 1 1 -12 9  12 o 259.4329 4.400546 685.0360       23.21577  690.1927       
33.18992  680.0959       32.48552  260.2712 6.270882 258.3679 6.183008 
1.903351       8.806450 
1 1 1 -12 9  13 o 492.5373 5.972446 2471.988       59.81950  2442.333       
104.2576  2486.542       73.03800  488.4647 10.49598 493.7251 7.274652 
-5.260468      12.77052 
1 1 1 -12 9  14 o 284.5982 4.459669 824.7032       25.80990  832.4273       
36.62560  817.0836       36.37709  285.7273 6.303497 283.0797 6.319283 
2.647552       8.925660 
1 1 1 -12 9  15 o 273.0843 5.190257 759.9211       28.82286  746.0225       
35.31411  787.6548       49.88462  270.4181 6.421865 277.4447 8.841763 
-7.026581      10.92781 
1 1 1 -12 9  16 o 229.3076 4.637033 535.7007       21.62271  506.3256       
30.01082  567.4113       31.18101  222.7014 6.626793 235.7705 6.503531 
-13.06908      9.284950 
1 1 1 -12 9  17 o 241.1190 4.707669 592.4802       23.08282  561.4196       
31.94764  626.4047       33.38804  234.4400 6.701248 247.6490 6.629837 
-13.20903      9.426636 
1 1 1 -12 9  18 o 153.9766 6.523929 242.2308       20.42751  258.9968       
25.22329  210.2749       34.82278  159.0519 7.798507 142.1218 12.16628 
16.93010       14.45113 
1 1 1 -12 9  19 o 178.7388 5.470146 326.0646       19.88242  356.5086       
29.11428  299.4584       27.21743  186.5558 7.674428 170.9528 7.829236 
15.60294       10.96329 
1 1 1 -12 9  20 o 74.24150 15.09735 59.76286       22.01661  0.000000       
0.000000  59.76286       22.01661  ?        ?        74.24150 15.09735 
0.000000       15.09735 
1 1 1 -12 9  21 o 192.3375 5.610633 377.9226       21.94458  366.9814       
31.14707  388.7068       30.92280  189.0497 8.101957 194.6318 7.812922 
-5.582184      11.25537 
1 1 1 -12 9  22 o 257.7780 5.390313 678.8807       28.25604  701.2819       
39.55009  655.5261       40.38308  261.4320 7.439390 252.6261 7.860857 
8.805893       10.82301 
1 1 1 -12 9  23 o 231.9778 5.691303 550.6920       26.84785  605.1598       
38.62884  499.7952       37.34108  242.4848 7.833858 220.1893 8.339486 
22.29552       11.44187 
1 1 1 -12 9  24 o 93.44859 10.59867 92.42466       19.78454  55.24524       
28.13266  128.8057       27.82895  69.28417 19.26794 109.6435 12.71755 
-40.35937      23.08657 
1 1 1 -12 9  25 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -12 9  26 o 57.13272 19.35581 38.89600       26.78290  0.000000       
0.000000  38.89600       26.78290  ?        ?        57.13272 19.35581 
0.000000       19.35581 
1 1 1 -12 10 1  o 393.1711 5.155388 1573.831       41.21870  1471.030       
67.19795  1635.841       52.19021  379.6503 8.704041 400.6982 6.405015 
-21.04797      10.80669 
1 1 1 -12 10 2  o 266.9536 4.795578 725.3227       26.03324  679.9250       
42.97633  751.6367       32.71948  258.2152 8.184573 271.6809 5.922375 
-13.46564      10.10256 
1 1 1 -12 10 3  o 97.36080 6.680835 97.00563       13.14713  95.95467       
18.30103  98.12639       18.89907  96.51648 9.445504 97.58560 9.650104 
-1.069122      13.50341 
1 1 1 -12 10 4  o 147.3222 4.924699 220.8783       14.75365  196.4794       
20.32128  248.0740       21.45441  138.6868 7.230546 156.0658 6.760167 
-17.37900      9.898518 
1 1 1 -12 10 5  o 322.6467 4.221542 1059.144       27.69809  1029.248       
38.62145  1090.805       39.74472  317.9581 5.973203 327.3284 5.970961 
-9.370331      8.445800 
1 1 1 -12 10 6  o 252.0102 4.199625 646.1448       21.52188  645.1448       
30.33010  647.1589       30.54409  251.7371 5.924821 252.1280 5.957370 
-0.3909302     8.402010 
1 1 1 -12 10 7  o 497.9712 5.060461 2523.646       51.24432  2533.707       
72.85452  2513.795       72.09231  498.7307 7.183548 496.7730 7.136405 
1.957611       10.12579 
1 1 1 -12 10 8  o 49.98020 11.62302 26.54803       11.58989  20.13896       
15.98946  33.64315       16.82349  45.36599 14.94783 56.25937 14.58427 
-10.89338      20.88393 
1 1 1 -12 10 9  o 161.3335 5.374662 264.9502       17.63304  241.0507       
28.64218  279.5363       22.37600  153.4417 9.222154 165.6654 6.642006 
-12.22369      11.36505 
1 1 1 -12 10 10 o 244.0424 4.832966 606.1619       23.98449  603.6938       
39.97532  607.5500       29.98012  243.3259 8.078900 244.2530 6.035900 
-0.9271393     10.08468 
1 1 1 -12 10 11 o 235.9184 4.302410 566.4146       20.64073  554.3113       
28.96442  578.9031       29.42175  233.2783 6.105751 238.3994 6.068929 
-5.121109      8.608838 
1 1 1 -12 10 12 f 202.9180 4.565476 419.1443       18.83901  412.0244       
26.48899  426.4315       26.79846  201.0696 6.478397 204.5574 6.442332 
-3.487778      9.136371 
1 1 1 -12 10 13 o 100.0535 7.925979 102.8284       15.99440  88.49821       
28.39588  109.4877       19.35721  91.30426 15.86974 103.0666 9.337146 
-11.76231      18.41279 
1 1 1 -12 10 14 o 327.7786 4.506429 1094.043       30.03755  1098.824       
42.48947  1089.265       42.46955  328.2492 6.365407 326.8145 6.390355 
1.434723       9.019702 
1 1 1 -12 10 15 o 50.31434 14.15451 26.89642       15.09098  32.62756       
19.17258  17.56361       24.46618  55.44516 16.07125 47.97757 18.20451 
7.467587       24.28352 
1 1 1 -12 10 16 o 133.2299 5.906038 181.0803       16.00109  205.3950       
22.80505  157.5024       22.45687  141.4814 7.958806 123.6644 8.991579 
17.81709       12.00796 
1 1 1 -12 10 17 o 99.68172 7.228632 102.1135       14.55329  95.43104       
20.56594  108.8162       20.59701  95.71716 10.75192 102.4358 10.01598 
-6.718674      14.69434 
1 1 1 -12 10 18 f 161.6084 6.464575 266.8497       21.24493  253.9618       
25.96748  292.9387       36.94609  157.2265 8.149767 168.2460 10.85666 
-11.01950      13.57519 
1 1 1 -12 10 19 o 153.2779 5.815621 239.9329       18.12704  244.8516       
25.99861  235.2798       25.28721  154.2694 8.318155 151.2292 8.253894 
3.040237       11.71830 
1 1 1 -12 10 20 o 93.58974 10.49433 91.53825       19.62860  93.85479       
36.77522  90.61541       23.21138  91.80846 20.24246 92.54812 12.66576 
-0.7396622     23.87842 
1 1 1 -12 10 21 o 171.6625 5.957803 301.2530       20.79759  309.9306       
29.38900  292.5479       29.43552  173.6705 8.321608 168.4528 8.621840 
5.217758       11.98271 
1 1 1 -12 10 22 o 160.0345 6.689739 262.3846       21.77079  280.2888       
31.34933  245.7066       30.25683  164.5427 9.408157 153.9317 9.715793 
10.61104       13.52442 
1 1 1 -12 10 23 o 180.4876 6.397372 334.0185       23.48013  326.7137       
33.02415  341.4864       33.39072  177.4926 9.180972 181.7384 9.034988 
-4.245850      12.88104 
1 1 1 -12 10 24 o 35.71006 15.04884 3.326261       18.65789  20.81852       
28.06301  -10.53158      24.97808  49.88148 19.35023 35.50647 16.08013 
14.37502       25.15953 
1 1 1 -12 10 25 o 88.45609 11.33381 84.46704       19.91820  67.69567       
28.58469  100.2962       27.77016  75.50821 18.71124 94.63623 14.92469 
-19.12802      23.93443 
1 1 1 -12 10 26 o 44.03433 17.92763 14.75162       25.23687  0.000000       
0.000000  14.75162       25.23687  ?        ?        44.03433 17.92763 
0.000000       17.92763 
1 1 1 -12 11 1  o 272.9644 4.170503 758.2853       23.14973  772.5626       
33.24725  744.8495       32.25272  275.3924 5.936799 270.4140 5.865241 
4.978424       8.345456 
1 1 1 -12 11 2  o 318.3081 4.826339 1031.310       31.24043  996.9659       
51.86249  1050.869       39.13778  312.6478 8.157302 321.2178 5.991631 
-8.570007      10.12132 
1 1 1 -12 11 3  o 401.3603 5.196245 1639.788       42.41069  1527.865       
68.85406  1708.210       53.83538  387.0145 8.748848 409.5199 6.464596 
-22.50537      10.87811 
1 1 1 -12 11 4  o 240.1748 5.973375 587.3420       29.17418  587.3420       
29.17418  0.000000       0.000000  240.1748 5.973375 ?        ?        
0.000000       5.973375 
1 1 1 -12 11 5  o 210.9558 4.230614 452.7943       18.14874  428.2919       
25.25635  478.9542       26.09664  205.0953 6.055688 216.8935 5.916797 
-11.79819      8.466394 
1 1 1 -12 11 6  o 130.6886 5.205826 173.8358       13.83499  201.0131       
20.05524  149.1595       19.11021  140.4751 7.020644 120.7290 7.826158 
19.74615       10.51371 
1 1 1 -12 11 7  o 232.7371 4.184323 551.1133       19.80351  520.8323       
27.65784  582.9703       28.36848  226.1730 6.013482 239.2946 5.829774 
-13.12163      8.375455 
1 1 1 -12 11 8  o 546.0781 5.378598 3035.462       59.72763  3001.851       
84.03767  3069.770       84.90424  542.7368 7.614357 548.8436 7.607279 
-6.106750      10.76332 
1 1 1 -12 11 9  o 455.0164 5.548235 2107.822       51.33734  2134.801       
88.21137  2094.003       63.12984  457.3549 9.484618 453.3702 6.847473 
3.984650       11.69811 
1 1 1 -12 11 10 o 371.4820 5.115777 1404.810       38.64567  1389.057       
65.15755  1413.359       47.99985  368.9777 8.683867 372.4914 6.336833 
-3.513672      10.75012 
1 1 1 -12 11 11 o 154.7524 4.911371 243.8005       15.45580  230.2644       
21.56273  258.1039       22.16533  150.2960 7.055130 159.1340 6.849511 
-8.838058      9.833140 
1 1 1 -12 11 12 o 262.5126 4.344027 701.4576       23.18964  681.1526       
32.55915  722.3622       33.03627  258.5379 6.192946 266.2526 6.101629 
-7.714661      8.693817 
1 1 1 -12 11 13 o 194.3100 5.391421 384.6474       21.30344  408.6916       
38.66553  374.1669       25.52757  199.8780 9.512784 191.5550 6.553368 
8.322968       11.55161 
1 1 1 -12 11 14 o 152.5302 5.203748 237.0514       16.14075  261.4003       
22.87726  212.9176       22.77600  160.0344 7.029740 144.1620 7.798181 
15.87244       10.49899 
1 1 1 -12 11 15 o 138.0771 6.549498 194.5819       18.38997  199.8440       
22.47045  183.9084       32.00266  139.5849 7.949185 133.1406 11.94732 
6.444290       14.35019 
1 1 1 -12 11 16 f 145.5064 5.485765 215.9122       16.23195  220.4039       
22.88032  211.3609       23.03131  146.6022 7.701839 143.5189 7.922151 
3.083267       11.04893 
1 1 1 -12 11 17 o 124.7606 6.145132 158.9140       15.59050  178.2017       
22.25100  140.3135       21.85104  131.6271 8.356219 116.5647 9.295653 
15.06242       12.49942 
1 1 1 -12 11 18 o 173.6673 6.184145 308.0742       21.83982  304.0975       
26.32648  316.8513       39.11185  172.3548 7.511349 174.9123 11.05289 
-2.557465      13.36364 
1 1 1 -12 11 19 o 178.7766 5.361628 326.2232       19.49210  323.9312       
27.72510  328.4634       27.40960  177.7905 7.668548 179.0555 7.527724 
-1.264969      10.74585 
1 1 1 -12 11 20 o 112.1835 7.777737 129.7017       17.63371  115.1642       
24.81077  144.5409       25.06688  104.7210 11.85988 117.8138 10.57555 
-13.09280      15.89021 
1 1 1 -12 11 21 o 106.9344 8.378060 118.2424       18.07277  82.43891       
24.34703  162.1808       26.97151  87.67696 14.13628 124.7362 10.73779 
-37.05920      17.75203 
1 1 1 -12 11 22 o 305.5966 5.866969 955.2825       36.45976  980.3607       
45.50512  910.3179       60.93225  309.0977 7.239573 296.5745 10.10327 
12.52325       12.42930 
1 1 1 -12 11 23 o 142.2982 10.61774 211.9412       30.50311  211.9412       
30.50311  0.000000       0.000000  142.2982 10.61774 ?        ?        
0.000000       10.61774 
1 1 1 -12 11 24 o 52.19361 15.89855 30.08854       18.39425  39.08396       
26.60186  21.84727       25.46233  59.15417 19.27030 49.14359 18.58950 
10.01058       26.77525 
1 1 1 -12 11 25 o 100.4629 9.851076 107.3504       19.86632  135.6998       
29.04715  82.43491       27.23112  111.3027 13.08317 84.67365 16.40739 
26.62901       20.98504 
1 1 1 -12 11 26 o 110.9848 13.08151 137.2865       28.95669  0.000000       
0.000000  137.2865       28.95669  ?        ?        110.9848 13.08151 
0.000000       13.08151 
1 1 1 -12 12 1  o 302.8495 4.154789 933.4655       25.58746  897.1802       
35.61847  972.1599       36.78184  296.7579 5.902303 308.9144 5.855229 
-12.15643      8.313898 
1 1 1 -12 12 2  o 198.2315 4.947082 400.0347       19.94221  503.8073       
35.25749  351.2181       24.18208  222.2603 7.800779 185.6662 6.404856 
36.59410       10.09328 
1 1 1 -12 12 3  o 350.4663 4.921289 1250.231       35.07329  1251.694       
59.03662  1249.434       43.60204  350.3189 8.287176 350.2493 6.121785 
0.6958008E-01  10.30308 
1 1 1 -12 12 4  o 164.2727 5.216110 274.6962       17.42463  247.5964       
27.88251  292.0615       22.31980  155.5414 8.851850 169.3325 6.481846 
-13.79105      10.97131 
1 1 1 -12 12 5  o 225.1524 4.176963 515.8016       19.12444  554.7524       
27.76087  480.6194       26.38372  233.4194 5.848503 217.2577 5.971859 
16.16174       8.358712 
1 1 1 -12 12 6  o 51.50034 11.08697 28.13747       11.26752  35.25029       
16.13909  21.37392       15.73784  57.51893 13.94303 46.20235 14.80136 
11.31658       20.33441 
1 1 1 -12 12 7  o 250.1099 4.718084 636.6114       23.99650  654.7903       
39.98322  626.3770       30.00025  253.4615 7.757368 248.0255 5.948085 
5.435974       9.775299 
1 1 1 -12 12 8  o 172.0130 5.119723 301.1761       17.90850  301.2639       
29.10475  301.1227       22.71835  171.8831 8.326822 171.9402 6.497524 
-0.5711365E-01 10.56190 
1 1 1 -12 12 9  o 155.2458 5.271049 245.3580       16.64058  235.9842       
26.95772  251.1286       21.15131  151.8344 8.768267 157.0045 6.624815 
-5.170044      10.98957 
1 1 1 -12 12 10 o 234.7737 4.239461 560.9227       20.24005  546.2061       
28.42237  576.0640       28.82948  231.5688 6.035717 237.8190 5.961270 
-6.250244      8.483314 
1 1 1 -12 12 11 o 359.7238 4.453287 1317.137       32.57626  1270.112       
45.10743  1368.400       47.09650  353.0543 6.282827 366.4557 6.319980 
-13.40143      8.911569 
1 1 1 -12 12 12 o 173.6682 4.696582 307.0846       16.58646  306.2884       
23.24004  307.9113       23.67973  173.3276 6.593526 173.7785 6.700843 
-0.4508820     9.400845 
1 1 1 -12 12 13 o 65.48055 9.757580 44.83450       12.59609  40.51840       
17.76029  49.20277       17.86732  61.46301 14.45261 67.98247 13.40083 
-6.519455      19.70939 
1 1 1 -12 12 14 o 213.8284 4.565183 465.6793       19.85067  460.3839       
27.84028  471.1555       28.31183  212.4311 6.444720 214.8980 6.478643 
-2.466919      9.138229 
1 1 1 -12 12 15 o 225.7771 5.236340 519.6061       24.04137  527.3250       
29.73303  505.0292       40.85929  227.3026 6.432555 222.0340 9.049405 
5.268585       11.10268 
1 1 1 -12 12 16 o 234.1816 4.593719 558.8132       21.87603  557.3918       
30.66142  560.2870       31.22094  233.6378 6.453534 234.2281 6.554743 
-0.5902405     9.198519 
1 1 1 -12 12 17 f 174.6025 5.118502 310.8881       18.17376  325.6744       
25.93977  296.6327       25.46984  178.4568 7.147951 170.2855 7.355243 
8.171310       10.25635 
1 1 1 -12 12 18 o 237.2353 4.793296 573.8812       23.12411  571.8177       
32.45859  576.0078       32.95184  236.4768 6.749781 237.3260 6.827833 
-0.8492126     9.600982 
1 1 1 -12 12 19 o 143.1396 6.088142 209.3945       17.72131  232.7507       
25.59985  187.9039       24.55616  150.3359 8.407502 134.8972 9.003436 
15.43877       12.31860 
1 1 1 -12 12 20 f 199.5631 5.443838 406.7462       22.09209  410.2629       
31.13128  403.1786       31.35580  199.9886 7.654916 198.2260 7.778679 
1.762558       10.91355 
1 1 1 -12 12 21 o 154.9470 6.346653 245.6944       19.99767  270.6790       
28.20043  220.4223       28.36222  161.9814 8.592010 145.8521 9.616562 
16.12930       12.89577 
1 1 1 -12 12 22 o 238.7719 6.064874 583.5535       29.44804  598.0874       
36.47914  556.3635       49.89499  241.3250 7.433457 231.5708 10.59551 
9.754227       12.94299 
1 1 1 -12 12 23 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -12 12 24 o 36.64574 15.20690 5.525951       18.61573  50.03616       
26.63853  -36.95897      26.02542  65.74378 18.91117 29.62705 14.30778 
36.11674       23.71381 
1 1 1 -12 12 25 o 42.62344 15.94557 17.11342       18.62394  53.14380       
27.25397  -14.45085      25.50899  66.40089 19.13657 34.12560 15.75042 
32.27529       24.78476 
1 1 1 -12 13 1  o 262.5505 4.093899 701.5950       21.85755  683.6850       
30.54762  720.3840       31.28815  259.0459 5.798950 265.9088 5.786233 
-6.862885      8.191966 
1 1 1 -12 13 2  o 189.5388 4.353589 365.6453       16.78019  374.3127       
23.81503  357.0995       23.64741  191.6775 6.109822 187.2121 6.211526 
4.465393       8.712806 
1 1 1 -12 13 3  o 671.7874 7.069912 4599.845       96.58224  4464.062       
161.4779  4675.477       120.5153  660.2784 12.02637 676.8483 8.755872 
-16.56995      14.87612 
1 1 1 -12 13 4  o 334.4636 4.807067 1138.611       32.69493  1137.825       
55.28477  1139.034       40.54507  334.0209 8.139175 334.4312 5.961834 
-0.4103394     10.08909 
1 1 1 -12 13 5  o 138.9635 5.554844 196.6106       15.69727  211.8113       
26.36932  188.2675       19.53576  143.7927 9.064399 135.7407 7.102006 
8.052063       11.51529 
1 1 1 -12 13 6  f 60.29019 10.13003 38.12391       11.97918  23.59527       
19.74620  46.58484       15.06885  49.45824 16.62041 66.55552 11.55285 
-17.09728      20.24121 
1 1 1 -12 13 7  o 140.5198 5.483840 201.0312       15.67017  184.3003       
25.33977  211.3914       19.94011  134.0559 9.353970 144.0444 6.807376 
-9.988495      11.56880 
1 1 1 -12 13 8  o 133.7206 5.620543 182.0691       15.28368  179.6600       
24.83460  183.5377       19.39060  132.3488 9.286338 134.0112 7.141151 
-1.662369      11.71461 
1 1 1 -12 13 9  o 251.4285 4.168574 643.2999       21.31343  678.7512       
30.82867  610.8411       29.49879  258.1574 5.872442 244.8990 5.923326 
13.25833       8.340945 
1 1 1 -12 13 10 o 375.2222 4.453963 1433.020       33.98494  1470.929       
48.87394  1397.528       47.28917  379.9514 6.325544 370.3557 6.279009 
9.595612       8.912827 
1 1 1 -12 13 11 o 166.8749 4.644988 283.4995       15.76257  301.7084       
22.34558  265.4652       22.23810  172.0539 6.386686 161.3651 6.776989 
10.68887       9.312214 
1 1 1 -12 13 12 f 110.3254 5.902174 124.3963       13.19356  122.3937       
18.62085  126.4152       18.69639  109.1337 8.456553 110.9373 8.348815 
-1.803589      11.88343 
1 1 1 -12 13 13 o 245.8805 4.329866 615.5780       21.64961  622.4857       
30.48966  608.5536       30.74629  247.0882 6.068048 244.2939 6.189118 
2.794357       8.667548 
1 1 1 -12 13 14 o 155.7689 5.098777 247.2559       16.15096  234.8576       
22.52106  260.3843       23.17476  151.6366 7.303539 159.6811 7.136912 
-8.044495      10.21162 
1 1 1 -12 13 15 o 244.0020 4.520818 606.5416       22.43168  605.0084       
31.55312  608.1083       31.89602  243.4577 6.373343 244.0727 6.426373 
-0.6149750     9.050843 
1 1 1 -12 13 16 o 151.6428 5.384640 234.5341       16.60465  219.4334       
23.13548  250.5760       23.84566  146.2271 7.808601 156.5175 7.491956 
-10.29039      10.82144 
1 1 1 -12 13 17 f 86.04803 8.603760 76.67210       14.85320  91.01786       
20.59747  61.13021       21.43899  93.32175 11.06957 75.42496 14.50452 
17.89680       18.24600 
1 1 1 -12 13 18 o 41.82763 13.81159 17.47973       13.64832  23.56022       
18.88963  10.83820       19.74186  48.54528 16.25621 41.06199 16.14328 
7.483284       22.91003 
1 1 1 -12 13 19 o 191.0545 5.969804 373.0334       23.19363  361.9942       
38.35159  379.3991       29.12290  187.0571 10.11990 192.4069 7.443251 
-5.349792      12.56242 
1 1 1 -12 13 20 o 60.36022 12.99887 39.39703       15.48383  29.82671       
22.04063  48.72262       21.75700  53.60792 17.54436 66.60016 16.21629 
-12.99224      23.89085 
1 1 1 -12 13 21 o 130.3120 7.121618 174.6158       18.80039  188.9115       
26.62033  160.3898       26.55532  134.9079 9.769565 124.0102 10.63319 
10.89767       14.43985 
1 1 1 -12 13 22 o 173.1001 6.784443 307.3126       23.88158  327.2532       
29.76601  271.2870       40.00887  178.2708 8.210869 160.6136 12.34409 
17.65712       14.82548 
1 1 1 -12 13 23 o 95.93819 9.729427 96.57652       18.71892  111.1396       
25.60917  79.86944       27.42961  101.9724 12.61928 84.72536 16.51388 
17.24704       20.78351 
1 1 1 -12 13 24 o 50.20739 17.46492 26.43858       21.84634  34.60236       
26.27585  8.159801       39.31738  56.15990 19.17101 49.96954 21.47711 
6.190361       28.78878 
1 1 1 -12 13 25 o 150.7080 7.405070 236.3083       22.69431  262.2115       
33.18090  213.5398       31.10845  156.6829 10.47428 141.0300 10.93258 
15.65292       15.14040 
1 1 1 -12 14 1  o 410.4496 4.543641 1715.235       37.92409  1824.330       
55.79755  1621.568       51.70185  423.0071 6.486583 398.8263 6.374864 
24.18082       9.094759 
1 1 1 -12 14 2  o 113.6508 5.551959 131.5659       12.83128  117.5795       
18.02431  145.9370       18.27053  106.9985 8.349906 119.3683 7.565929 
-12.36974      11.26784 
1 1 1 -12 14 3  o 641.2549 5.936198 4188.813       77.40883  4075.325       
106.9961  4313.452       112.1294  631.9405 8.326077 650.0962 8.481850 
-18.15570      11.88551 
1 1 1 -12 14 4  o 333.9571 4.780009 1135.250       32.46167  1134.899       
55.15867  1135.435       40.15115  333.5506 8.132061 333.8849 5.913570 
-0.3342590     10.05489 
1 1 1 -12 14 5  o 329.2669 4.799780 1103.544       32.13815  1146.871       
55.41457  1081.585       39.45045  335.3286 8.126472 325.8792 5.953110 
9.449371       10.07368 
1 1 1 -12 14 6  f 52.34052 11.54922 29.11822       11.96301  19.81712       
19.44551  34.78218       15.17444  46.77310 16.46492 57.12303 13.30999 
-10.34993      21.17190 
1 1 1 -12 14 7  o 388.1588 5.085874 1533.796       40.14454  1591.875       
69.73725  1505.011       49.09486  394.9813 8.682343 384.3768 6.280979 
10.60443       10.71605 
1 1 1 -12 14 8  o 639.9507 5.955675 4171.246       77.50485  4224.174       
110.9163  4120.743       108.3457  643.4278 8.477038 635.5260 8.383532 
7.901794       11.92241 
1 1 1 -12 14 9  o 152.2906 4.738160 236.0883       14.67352  236.2080       
20.55831  235.9639       20.95021  152.2436 6.640440 152.1580 6.770834 
0.8558655E-01  9.483650 
1 1 1 -12 14 10 o 293.5598 4.219420 877.1071       25.18841  875.4203       
35.54857  878.8078       35.69547  293.1300 5.963626 293.6953 5.976744 
-0.5652771     8.443122 
1 1 1 -12 14 11 o 252.3825 4.235170 648.3811       21.73609  666.1158       
31.16874  631.5908       30.32748  255.6660 5.995076 248.9527 5.990569 
6.713364       8.475131 
1 1 1 -12 14 12 o 110.9790 5.940470 125.8985       13.35780  155.5519       
19.01755  97.02277       18.76653  123.2001 7.628400 96.89407 9.652843 
26.30607       12.30325 
1 1 1 -12 14 13 o 119.6396 5.799192 145.9278       14.10893  131.9412       
19.67934  160.7206       20.23849  113.2579 8.609020 125.1557 7.993728 
-11.89773      11.74797 
1 1 1 -12 14 14 o 297.5076 5.143698 902.0958       31.11895  915.3066       
55.00356  895.8764       37.73969  298.9340 9.048241 296.3101 6.263260 
2.623840       11.00450 
1 1 1 -12 14 15 o 210.9249 4.625433 453.3282       19.83955  461.3533       
27.82577  445.0302       28.29483  212.5696 6.437165 208.7439 6.665639 
3.825684       9.266490 
1 1 1 -12 14 16 o 63.75954 10.55512 42.91430       13.20669  50.05899       
18.40673  35.33389       18.95969  68.29491 13.72979 57.26268 15.77730 
11.03224       20.91483 
1 1 1 -12 14 17 f 303.2570 5.342276 938.3141       32.94493  942.8217       
40.16655  929.0477       57.58948  303.7316 6.503141 300.6613 9.419203 
3.070282       11.44606 
1 1 1 -12 14 18 o 106.2757 7.100192 116.1218       15.25630  117.9463       
21.32184  114.2077       21.83876  106.5510 9.955834 104.7344 10.39101 
1.816650       14.39068 
1 1 1 -12 14 19 o 111.9057 8.236875 129.2841       18.61240  104.4146       
30.78766  143.6081       23.36557  98.38919 15.93260 117.6032 9.861291 
-19.21400      18.73747 
1 1 1 -12 14 20 o 37.74919 14.38321 10.82420       15.31281  11.10905       
21.87082  10.55029       21.44657  42.49013 16.89998 41.91534 16.71512 
0.5747910      23.76983 
1 1 1 -12 14 21 o 48.12441 14.99271 24.44254       16.25003  32.76737       
23.04605  16.21102       22.91653  55.64251 17.92033 45.73561 17.55518 
9.906895       25.08631 
1 1 1 -12 14 22 o 105.7614 9.714367 116.7672       20.65909  110.9479       
25.42283  128.0811       35.44833  102.2079 12.49170 108.2703 16.63233 
-6.062332      20.80089 
1 1 1 -12 14 23 o 228.2520 5.715867 534.0173       26.53067  519.7490       
37.06291  549.0120       37.99450  224.2633 8.126993 230.4997 8.105854 
-6.236450      11.47837 
1 1 1 -12 14 24 o 33.29990 14.84718 -5.210075      20.38794  -11.66821      
25.18384  7.072462       34.73060  35.02911 15.97346 47.14227 20.22156 
-12.11316      25.76941 
1 1 1 -12 14 25 o 36.86077 15.11941 7.907294       18.11853  27.16793       
25.09084  -13.08028      26.19153  50.46294 18.57903 34.81855 16.03053 
15.64439       24.53891 
1 1 1 -12 15 1  o 53.05849 10.13099 29.77859       10.53227  48.12315       
14.94433  11.67487       14.84590  67.61356 11.26544 38.33223 14.25700 
29.28133       18.17064 
1 1 1 -12 15 2  o 210.9078 4.103732 452.7578       17.60042  446.3782       
24.59071  459.4586       25.20206  209.3080 5.777419 212.3480 5.836283 
-3.040039      8.212234 
1 1 1 -12 15 3  o 181.7563 4.247480 336.2407       15.69901  336.3722       
22.29134  336.1113       22.11325  181.6962 6.033076 181.6286 5.987104 
0.6759644E-01  8.499614 
1 1 1 -12 15 4  o 406.2401 4.504204 1679.809       37.20937  1639.037       
51.79726  1723.285       53.48743  401.0643 6.350989 411.2364 6.396005 
-10.17209      9.013542 
1 1 1 -12 15 5  o 511.6920 5.114532 2665.767       53.21890  2878.298       
79.81874  2495.669       71.40752  531.3110 7.387621 494.7905 7.096941 
36.52051       10.24419 
1 1 1 -12 15 6  o 112.2494 5.511260 128.3087       12.58016  125.6978       
17.89073  130.8622       17.69300  110.7221 7.999730 113.0133 7.745480 
-2.291260      11.13500 
1 1 1 -12 15 7  o 114.1615 5.554550 132.7227       12.89495  127.8549       
18.03909  137.8092       18.43995  111.6707 7.996653 115.9723 7.865561 
-4.301575      11.21666 
1 1 1 -12 15 8  o 436.6555 4.706497 1940.930       41.79152  1991.553       
60.05156  1893.387       58.19634  442.0497 6.680389 431.0237 6.639617 
11.02600       9.418711 
1 1 1 -12 15 9  o 197.7777 4.234200 398.1213       17.02943  414.7473       
24.03720  381.3674       24.12958  201.7720 5.858300 193.4641 6.133352 
8.307831       8.481608 
1 1 1 -12 15 10 o 367.0127 4.420926 1371.209       32.99482  1334.930       
45.96811  1409.764       47.38771  361.9092 6.246051 371.9121 6.265762 
-10.00290      8.847198 
1 1 1 -12 15 11 o 325.1841 4.326434 1076.545       28.60953  1089.681       
40.53445  1063.505       40.38594  326.9572 6.096518 322.9994 6.148612 
3.957855       8.658692 
1 1 1 -12 15 12 f 324.4689 4.345448 1071.989       28.67207  1093.583       
40.91843  1051.158       40.18829  327.4862 6.144330 321.0695 6.155298 
6.416779       8.697154 
1 1 1 -12 15 13 o 126.4035 5.619878 162.8941       14.44566  156.9115       
20.12675  169.2504       20.74582  123.6288 8.049647 128.4274 7.983193 
-4.798515      11.33703 
1 1 1 -12 15 14 o 352.7118 5.295707 1268.294       37.98353  1255.630       
66.47502  1274.433       46.28329  349.9637 9.340799 353.3388 6.441418 
-3.375122      11.34647 
1 1 1 -12 15 15 o 229.7762 4.546376 537.9978       21.24329  544.0134       
29.85612  531.8297       30.23252  230.8162 6.360857 228.1930 6.515092 
2.623199       9.105324 
1 1 1 -12 15 16 o 127.8734 6.007533 166.9525       15.62168  172.6344       
21.97850  161.1512       22.20806  129.5109 8.390393 125.0359 8.790118 
4.474991       12.15174 
1 1 1 -12 15 17 o 149.7957 6.498591 229.3718       19.79566  260.9452       
24.31600  167.3225       34.08789  159.6336 7.490597 126.1657 13.49572 
33.46788       15.43514 
1 1 1 -12 15 18 o 152.4507 5.684877 237.3782       17.62389  217.2820       
24.27280  259.7855       25.63049  145.2658 8.250878 159.1468 7.919677 
-13.88100      11.43671 
1 1 1 -12 15 19 o 126.1304 7.821240 163.8894       19.96180  199.2644       
33.97165  145.2340       24.67008  137.9041 12.24128 118.1073 10.37694 
19.79673       16.04774 
1 1 1 -12 15 20 o 51.79018 14.51685 29.04298       15.90356  1.058084       
22.58886  56.54825       22.39445  38.32946 16.37110 71.81961 15.76588 
-33.49015      22.72831 
1 1 1 -12 15 21 o 248.8959 5.191863 632.9005       26.27801  619.4639       
36.61932  647.1652       37.73105  245.6578 7.330410 251.0710 7.390111 
-5.413177      10.40907 
1 1 1 -12 15 22 o 173.8143 6.960989 310.2732       24.60412  309.5664       
30.38849  311.6184       41.92148  173.1531 8.630328 172.1022 12.05450 
1.050888       14.82543 
1 1 1 -12 15 23 o 97.75816 9.444420 100.2944       18.54116  92.01035       
26.08939  108.7479       26.35493  91.71307 14.46850 100.3974 13.23119 
-8.684288      19.60617 
1 1 1 -12 15 24 o 119.2304 10.10060 150.6673       24.25966  183.2750       
29.95403  88.50410       41.35828  130.8931 11.36633 83.95626 23.36697 
46.93684       25.98478 
1 1 1 -12 15 25 o 169.3084 6.734223 297.6912       23.18555  298.3575       
33.07019  297.0471       32.51550  167.3360 9.760789 167.0836 9.610350 
0.2524567      13.69788 
1 1 1 -12 16 1  o 106.6809 5.325224 115.9665       11.55250  113.0375       
16.32077  118.9078       16.35468  104.9230 7.703092 107.6510 7.518099 
-2.728020      10.76380 
1 1 1 -12 16 2  o 198.2497 4.131156 400.0860       16.65466  372.2239       
23.12686  430.1019       24.00411  191.1024 5.951127 205.4401 5.745779 
-14.33772      8.272236 
1 1 1 -12 16 3  f 233.4042 4.007158 554.4658       19.01939  536.1089       
26.70602  573.3586       27.09311  229.3882 5.725148 237.2327 5.616076 
-7.844467      8.019827 
1 1 1 -12 16 4  o 420.4793 4.572483 1799.877       39.09742  1758.149       
54.49511  1844.140       56.12513  415.3244 6.452361 425.3541 6.488664 
-10.02969      9.150723 
1 1 1 -12 16 5  o 88.16470 6.426394 79.63535       11.44228  75.25893       
16.10449  84.09686       16.26030  85.30630 9.441889 90.30147 8.973725 
-4.995163      13.02601 
1 1 1 -12 16 6  o 198.9294 4.193819 402.7559       16.96524  422.7367       
24.33842  383.8720       23.66087  203.7087 5.875317 194.1114 5.994159 
9.597321       8.393407 
1 1 1 -12 16 7  o 150.6252 4.611899 230.9580       14.12632  229.3593       
19.83168  232.6046       20.12685  150.0151 6.500894 151.0699 6.551586 
-1.054779      9.229567 
1 1 1 -12 16 8  o 207.2572 4.182528 437.2006       17.62787  465.3763       
25.35599  410.8436       24.52397  213.7290 5.833990 200.8048 6.005724 
12.92424       8.372823 
1 1 1 -12 16 9  f 120.5606 5.161028 148.0274       12.65299  141.9498       
17.29483  155.0269       18.56016  117.7441 7.258518 123.0457 7.452758 
-5.301506      10.40335 
1 1 1 -12 16 10 o 196.8991 4.375333 394.6957       17.51888  385.2183       
24.25505  405.0324       25.33081  194.4011 6.135530 199.3287 6.249248 
-4.927628      8.757730 
1 1 1 -12 16 11 o 163.1119 4.629364 270.9421       15.35530  269.0309       
21.34661  272.9915       22.10458  162.4144 6.463280 163.5913 6.644627 
-1.176865      9.269577 
1 1 1 -12 16 12 o 144.6051 5.072098 213.0577       14.91498  198.9498       
20.30996  229.5724       21.97412  139.4054 7.188847 149.9453 7.206547 
-10.53990      10.17909 
1 1 1 -12 16 13 o 108.1410 6.113422 119.6856       13.38886  127.5834       
18.86928  111.6774       19.00081  111.3521 8.394814 104.0284 9.072727 
7.323761       12.36071 
1 1 1 -12 16 14 o 241.8939 5.170258 596.5413       25.43247  539.3376       
43.05819  627.1908       31.51774  229.3298 9.233024 247.8760 6.252723 
-18.54625      11.15102 
1 1 1 -12 16 15 o 159.9314 5.114776 260.8260       16.63458  241.5673       
23.23844  281.0643       23.82212  153.6656 7.436676 165.8020 7.065439 
-12.13640      10.25790 
1 1 1 -12 16 16 o 83.57470 9.167144 72.57322       15.32397  69.72470       
18.88790  78.05923       26.21214  81.33453 11.76130 85.11160 15.72397 
-3.777077      19.63597 
1 1 1 -12 16 17 o 270.0681 5.359381 744.4221       29.43332  781.1169       
36.46016  675.7656       49.87197  276.4005 6.486768 256.2507 9.570618 
20.14975       11.56179 
1 1 1 -12 16 18 o 134.4398 6.204049 184.8066       16.96112  144.3427       
23.16742  231.5468       24.89942  117.9448 9.746664 149.9538 8.196499 
-32.00892      12.73499 
1 1 1 -12 16 19 o 49.25125 15.16826 25.67758       16.68706  34.76151       
28.26537  20.81760       20.67451  58.29009 19.88362 47.30502 16.94221 
10.98508       26.12272 
1 1 1 -12 16 20 o 39.61504 14.56508 13.53155       15.41283  -9.936158      
21.35101  39.06804       22.27223  33.06161 14.92944 59.74023 17.32331 
-26.67862      22.86887 
1 1 1 -12 16 21 o 140.3123 6.824868 201.9076       19.47338  183.8683       
26.74661  222.2566       28.40739  132.9014 9.969277 146.3030 9.601595 
-13.40157      13.84114 
1 1 1 -12 16 22 f 106.8290 9.920505 119.4900       21.30528  113.6533       
25.47876  133.0589       38.84790  103.3438 12.36972 109.3880 18.09686 
-6.044197      21.92045 
1 1 1 -12 16 23 o 167.5581 6.573369 288.9076       22.39777  307.5276       
32.27243  271.6048       31.11000  171.6285 9.281282 161.1463 9.535977 
10.48218       13.30703 
1 1 1 -12 16 24 o 108.9452 10.62232 126.8223       23.23371  121.8955       
28.51165  136.5601       40.08418  105.1807 13.65213 107.8171 18.97538 
-2.636391      23.37617 
1 1 1 -12 16 25 o 87.17159 12.57598 84.60792       21.64813  33.94100       
34.09511  118.8302       28.02105  55.29285 21.36242 102.7212 13.76026 
-47.42838      25.41059 
1 1 1 -12 17 1  o 422.0817 9.592299 1825.203       82.33237  1825.203       
82.33237  0.000000       0.000000  422.0817 9.592299 ?        ?        
0.000000       9.592299 
1 1 1 -12 17 2  o 139.5266 6.577918 198.5794       18.66365  0.000000       
0.000000  198.5794       18.66365  ?        ?        139.5266 6.577918 
0.000000       6.577918 
1 1 1 -12 17 3  o 126.8370 4.794010 163.8308       12.36506  157.1691       
17.44298  170.5600       17.53102  123.9313 6.949338 129.1471 6.698303 
-5.215813      9.651972 
1 1 1 -12 17 4  o 238.0544 4.779220 577.0460       23.13581  591.5844       
27.66821  543.2503       42.18449  240.9648 5.646456 230.5491 8.997834 
10.41571       10.62278 
1 1 1 -12 17 5  o 289.7696 4.786500 854.9503       28.20475  854.3840       
33.87629  856.2296       50.91999  289.5828 5.752698 289.5237 8.648738 
0.5908203E-01  10.38721 
1 1 1 -12 17 6  o 311.0905 4.886162 985.4261       30.91050  1046.771       
38.21758  869.3894       52.56176  320.5253 5.863399 291.7182 8.860433 
28.80707       10.62481 
1 1 1 -12 17 7  o 101.9565 5.735890 106.2412       11.84402  101.3388       
16.25310  111.7926       17.29539  99.30567 8.119438 104.3209 8.219398 
-5.015198      11.55352 
1 1 1 -12 17 8  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -12 17 9  o 601.9896 5.703485 3692.720       69.82014  3817.412       
101.2802  3579.796       96.38290  611.3768 8.146373 592.0886 8.005011 
19.28821       11.42119 
1 1 1 -12 17 10 o 145.0651 4.817726 214.3277       14.21204  221.4783       
19.60204  206.4033       20.63548  147.3606 6.541366 142.0342 7.167607 
5.326355       9.703817 
1 1 1 -12 17 11 o 114.9062 5.579661 134.5804       13.03775  159.9305       
18.54267  109.7937       18.33541  124.9376 7.330502 103.2264 8.819353 
21.71117       11.46810 
1 1 1 -12 17 12 o 336.6586 4.370342 1154.321       29.91965  1149.370       
42.02049  1159.412       42.61125  335.6602 6.156160 337.1125 6.215815 
-1.452332      8.748408 
1 1 1 -12 17 13 o 333.2290 4.415184 1131.167       29.91872  1136.281       
42.04945  1125.924       42.57843  333.6764 6.197026 332.1306 6.304190 
1.545776       8.840019 
1 1 1 -12 17 14 o 240.2738 5.185312 588.6826       25.33569  578.0106       
44.61392  593.7625       30.78058  237.3461 9.243511 241.1474 6.276865 
-3.801376      11.17325 
1 1 1 -12 17 15 o 286.7656 4.449461 838.0702       25.94693  865.1802       
37.11528  812.1556       36.28772  291.0352 6.271273 281.9640 6.328701 
9.071259       8.909619 
1 1 1 -12 17 16 o 187.2170 5.659403 357.8292       21.54603  343.6567       
25.98369  389.0226       38.54862  183.2799 6.971632 194.1857 9.793584 
-10.90579      12.02156 
1 1 1 -12 17 17 o 43.00526 13.63316 19.05182       13.37853  22.15448       
18.51155  15.65931       19.35693  47.36388 16.09156 43.55798 16.26397 
3.805897       22.87914 
1 1 1 -12 17 18 o 100.0297 7.605700 103.2153       15.35515  119.0068       
21.92493  88.01318       21.51187  106.8722 10.21272 91.34600 11.86067 
15.52622       15.65168 
1 1 1 -12 17 19 f 128.9873 6.769669 170.9151       17.69480  186.1435       
25.74517  157.2805       24.36064  133.9775 9.511392 123.0166 9.819921 
10.96089       13.67104 
1 1 1 -12 17 20 o 192.2286 5.525048 377.7394       21.59760  367.8787       
30.83753  387.2329       30.25796  189.1432 8.017470 194.1489 7.663960 
-5.005661      11.09126 
1 1 1 -12 17 21 o 103.4500 8.860781 111.2455       18.46046  120.1860       
26.62979  102.9740       25.61390  106.4380 12.54414 98.21429 13.15531 
8.223755       18.17739 
1 1 1 -12 17 22 o 108.5700 9.346423 123.1367       20.43397  129.6669       
25.59619  111.6616       33.93036  110.6779 11.54251 100.2237 17.27172 
10.45419       20.77358 
1 1 1 -12 17 23 o 50.04851 15.86463 27.38399       18.11683  33.22969       
25.52187  21.44651       25.72143  55.33008 18.89392 48.90455 18.63947 
6.425529       26.54072 
1 1 1 -12 17 24 f 32.61619 14.18202 -0.2590286     17.54418  15.25205       
25.16481  -14.92793      24.47211  44.80344 18.02263 33.19653 15.35855 
11.60690       23.67911 
1 1 1 -12 17 25 o 95.97689 11.51403 101.3062       22.02364  115.1003       
37.06262  93.77662       27.38248  96.05651 19.63672 89.62026 15.59123 
6.436249       25.07364 
1 1 1 -12 18 1  o 293.0202 4.747477 874.7740       28.28862  859.8957       
50.46938  881.5896       34.15892  289.8578 8.562320 294.0262 5.713033 
-4.168365      10.29330 
1 1 1 -12 18 2  o 193.5802 4.082411 381.5349       16.07049  418.6116       
23.20991  347.3903       22.27324  202.6437 5.632340 184.5757 5.934133 
18.06798       8.181515 
1 1 1 -12 18 3  o 43.31705 12.63011 19.67335       11.81003  7.165601       
13.39968  63.20560       24.99829  34.04273 13.32498 76.64747 16.52483 
-42.60474      21.22793 
1 1 1 -12 18 4  o 299.5925 8.630893 917.4073       52.58212  0.000000       
0.000000  917.4073       52.58212  ?        ?        299.5925 8.630893 
0.000000       8.630893 
1 1 1 -12 18 5  o 272.5224 4.722264 756.2797       26.17001  767.6868       
31.43316  730.5113       47.24389  274.4824 5.631474 267.3578 8.689631 
7.124573       10.35486 
1 1 1 -12 18 6  o 122.1053 5.781667 151.9357       14.35618  168.8088       
17.18029  112.8895       26.13498  128.4962 6.597137 104.0833 12.60478 
24.41286       14.22683 
1 1 1 -12 18 7  o 317.3916 4.841371 1025.884       31.24750  1006.786       
37.44287  1069.702       56.71562  314.3083 5.858167 323.5455 8.620171 
-9.237183      10.42235 
1 1 1 -12 18 8  o 266.2993 4.096778 721.8862       22.18522  697.2314       
30.84700  748.3030       31.93032  261.5590 5.799517 270.9698 5.794701 
-9.410767      8.198351 
1 1 1 -12 18 9  o 208.3998 4.145863 442.1457       17.56968  426.3771       
24.16909  459.8171       25.58595  204.5253 5.811146 212.3839 5.924184 
-7.858551      8.298516 
1 1 1 -12 18 10 o 201.4006 4.239248 413.0095       17.36205  426.8148       
24.41914  398.8958       24.69041  204.6059 5.868956 197.7755 6.139096 
6.830368       8.493124 
1 1 1 -12 18 11 o 67.20859 8.541327 46.94354       11.40985  39.13158       
15.49251  56.20304       16.86691  60.47647 12.98536 73.02840 11.75679 
-12.55192      17.51690 
1 1 1 -12 18 12 o 204.5242 4.361686 426.0773       18.14055  415.5037       
24.93409  437.9680       26.44144  201.8007 6.076023 207.1600 6.276646 
-5.359314      8.735807 
1 1 1 -12 18 13 f 118.3825 5.685617 142.9708       13.68726  143.7037       
18.81710  142.1473       19.94557  118.2486 7.870331 117.5162 8.401774 
0.7324066      11.51225 
1 1 1 -12 18 14 o 75.52707 9.879740 59.60391       14.81024  69.15821       
26.44253  55.23669       17.87747  79.79753 16.82521 72.04927 12.66406 
7.748260       21.05864 
1 1 1 -12 18 15 o 169.8364 4.951819 294.1664       17.10201  298.4277       
24.08417  289.8324       24.28891  170.8153 6.933517 168.3139 7.096376 
2.501419       9.921301 
1 1 1 -12 18 16 o 38.76613 15.31849 9.226445       17.86080  9.226445       
17.86080  0.000000       0.000000  38.76613 15.31849 ?        ?        
0.000000       15.31849 
1 1 1 -12 18 17 o 233.1989 4.757512 554.7665       22.56097  569.6372       
31.95752  539.9914       31.85480  235.9301 6.660982 229.6729 6.820460 
6.257187       9.533486 
1 1 1 -12 18 18 o 158.5692 6.442209 257.3625       20.77328  259.5627       
33.48273  255.9857       26.48736  158.0592 10.47656 157.5909 8.294453 
0.4683228      13.36250 
1 1 1 -12 18 19 o 173.7069 5.610516 308.4739       19.81853  330.1454       
28.22103  287.3865       27.83815  179.2661 7.741468 167.1525 8.189853 
12.11360       11.26961 
1 1 1 -12 18 20 o 163.7233 6.049695 274.3785       20.14166  271.7937       
28.59223  276.9248       28.37819  162.1494 8.703047 163.7224 8.553329 
-1.572998      12.20256 
1 1 1 -12 18 21 o 142.7365 8.002739 210.5082       23.13504  173.8687       
39.93124  229.0214       28.38434  126.7164 15.84252 148.4416 9.452306 
-21.72520      18.44808 
1 1 1 -12 18 22 o 94.96202 10.59656 95.31087       20.11392  98.26101       
24.85310  89.71021       34.24353  95.49810 13.14626 88.36106 19.57312 
7.137039       23.57819 
1 1 1 -12 18 23 o 153.2944 6.921995 242.6027       21.57788  222.9772       
29.89482  263.9478       31.17702  145.3730 10.17674 158.4647 9.721966 
-13.09174      14.07419 
1 1 1 -12 18 24 o 98.89562 9.803255 104.4550       19.45535  100.6716       
27.71139  108.1325       27.32082  94.21415 14.96442 98.26290 14.07466 
-4.048752      20.54336 
1 1 1 -12 18 25 o 89.78999 11.77810 89.44915       20.98703  115.9669       
35.52785  75.23611       26.01023  96.82462 18.72117 79.02694 16.70764 
17.79768       25.09238 
1 1 1 -12 19 1  o 271.6432 4.132326 751.5242       22.82679  697.6223       
46.22009  768.9126       26.25173  260.9738 8.709284 274.7008 4.699444 
-13.72705      9.896282 
1 1 1 -12 19 2  o 223.5095 5.760950 509.4460       26.18434  0.000000       
0.000000  509.4460       26.18434  ?        ?        223.5095 5.760950 
0.000000       5.760950 
1 1 1 -12 19 3  o 242.3084 4.649826 598.0448       22.91166  588.7960       
27.06520  621.4338       43.04022  240.3378 5.537806 246.4718 8.587283 
-6.134064      10.21806 
1 1 1 -12 19 4  o 145.2819 5.258182 215.0689       15.53454  200.2540       
18.01925  257.9513       30.65677  140.1216 6.323830 158.4337 9.560189 
-18.31213      11.46246 
1 1 1 -12 19 5  o 249.8075 4.684910 635.5446       23.79897  623.5555       
28.15161  665.5747       44.55434  247.3533 5.596725 255.1474 8.587116 
-7.794083      10.24997 
1 1 1 -12 19 6  o 265.8625 4.724092 719.8641       25.54036  760.1861       
31.21217  638.1514       44.43217  273.1138 5.619904 249.8208 8.746160 
23.29298       10.39609 
1 1 1 -12 19 7  o 157.1119 5.208761 251.4870       16.64160  236.9218       
19.40617  291.9630       32.35055  152.4262 6.260786 168.6315 9.472268 
-16.20529      11.35435 
1 1 1 -12 19 8  o 293.3034 4.127307 875.8373       24.61702  869.5812       
34.38322  882.4169       35.26080  292.0695 5.789072 294.2034 5.893767 
-2.133942      8.261346 
1 1 1 -12 19 9  o 214.8511 4.114417 469.9917       17.97618  469.7123       
24.91018  470.2953       25.96705  214.6519 5.706774 214.7610 5.945876 
-0.1090851     8.241403 
1 1 1 -12 19 10 o 338.6502 4.305900 1167.935       29.65286  1185.582       
42.30029  1150.884       41.57995  340.9245 6.101459 335.9011 6.087249 
5.023407       8.618725 
1 1 1 -12 19 11 o 398.4242 4.591203 1617.205       37.19835  1609.456       
52.39884  1625.079       52.81645  397.0801 6.489214 398.9979 6.509493 
-1.917755      9.191485 
1 1 1 -12 19 12 o 215.5459 4.295593 473.2751       18.82844  452.6488       
25.88333  496.4565       27.43963  210.6038 6.043696 220.5495 6.118157 
-9.945755      8.599891 
1 1 1 -12 19 13 o 92.62363 6.756613 88.13012       12.63852  84.94339       
17.44461  91.65077       18.33581  90.44231 9.633286 93.96194 9.737498 
-3.519630      13.69741 
1 1 1 -12 19 14 o 144.2257 5.181782 212.1824       15.19753  204.9517       
21.10234  219.9737       21.90526  141.3259 7.368247 146.4250 7.380412 
-5.099121      10.42888 
1 1 1 -12 19 15 o 281.8183 4.438218 809.6005       25.43486  845.3532       
36.59082  776.1743       35.38035  287.6114 6.256258 275.5792 6.313413 
12.03220       8.888192 
1 1 1 -12 19 16 o 173.3041 7.233444 307.6321       25.49208  307.6321       
25.49208  0.000000       0.000000  173.3041 7.233444 ?        ?        
0.000000       7.233444 
1 1 1 -12 19 17 o 33.86537 13.18199 7.680508       13.05769  -8.757232      
17.97025  26.06765       19.00598  30.32804 13.69567 50.18726 16.28540 
-19.85921      21.27876 
1 1 1 -12 19 18 o 180.8434 6.065306 334.5894       22.30524  339.3031       
37.48143  332.0047       27.75488  180.8126 10.23581 179.8302 7.589711 
0.9823151      12.74267 
1 1 1 -12 19 19 o 198.7682 5.313040 403.7589       21.47540  419.9700       
30.68881  388.2027       30.06249  202.2212 7.462802 194.3853 7.605189 
7.835831       10.65516 
1 1 1 -12 19 20 o 86.48141 9.816937 78.38313       16.95845  51.32214       
23.45316  108.0349       24.55018  67.90442 17.01814 100.9787 12.20320 
-33.07426      20.94123 
1 1 1 -12 19 21 o 167.9527 13.19161 299.2842       44.69180  299.2842       
44.69180  0.000000       0.000000  167.9527 13.19161 ?        ?        
0.000000       13.19161 
1 1 1 -12 19 22 o 87.51604 11.89242 82.10602       20.61641  74.38531       
25.27175  97.46745       35.64696  81.69741 15.78292 91.86387 19.67503 
-10.16646      25.22315 
1 1 1 -12 19 23 o 37.13792 15.09466 7.991301       17.85332  32.42690       
25.22452  -16.53705      25.27235  54.35098 18.77463 33.61476 15.57162 
20.73622       24.39184 
1 1 1 -12 19 24 o 106.1275 9.241777 119.8669       19.74594  112.0136       
28.75821  126.8718       27.16022  99.34100 14.67783 107.1585 12.71182 
-7.817535      19.41724 
1 1 1 -12 19 25 o 80.86176 13.32331 74.78033       21.14503  100.7306       
35.31110  60.27266       26.40215  88.32219 20.11085 69.00385 18.45609 
19.31834       27.29604 
1 1 1 -12 20 1  o 181.3452 4.287401 335.0282       15.81072  335.0476       
32.44387  335.0221       18.10622  180.7808 8.825287 181.2884 4.911412 
-0.5075684     10.09988 
1 1 1 -12 20 2  o 36.83877 12.21468 13.32104       10.67067  22.64462       
12.24936  -16.01841      21.72943  46.11148 12.67203 31.69807 14.59662 
14.41341       19.32981 
1 1 1 -12 20 3  o 172.1935 4.842608 302.1196       16.95694  296.5481       
19.75189  317.7339       33.06617  170.5289 5.695860 175.8492 9.279666 
-5.320343      10.88830 
1 1 1 -12 20 4  o 254.8609 3.898271 661.2944       20.20350  691.4271       
29.11702  633.3166       28.05661  260.4347 5.497898 249.2461 5.535482 
11.18861       7.801823 
1 1 1 -12 20 5  o 268.2668 3.958354 732.6874       21.59399  703.5521       
29.86405  764.6118       31.26085  262.7095 5.590125 273.8694 5.613138 
-11.15991      7.921920 
1 1 1 -12 20 6  o 240.3839 3.985963 588.2954       19.48454  633.1145       
28.21305  547.4252       26.94149  249.2192 5.566948 231.7249 5.717387 
17.49429       7.979939 
1 1 1 -12 20 7  o 176.6001 5.015839 317.7617       18.01299  341.9387       
21.52600  261.2851       32.90008  183.1331 5.780227 159.3040 10.20965 
23.82912       11.73235 
1 1 1 -12 20 8  o 153.7167 5.096832 240.7779       15.93209  235.8067       
18.39466  255.7052       31.87524  152.0612 5.948699 157.6099 9.997064 
-5.548752      11.63307 
1 1 1 -12 20 9  o 126.3937 4.919800 162.7806       12.64516  157.7128       
17.04626  168.9819       18.85636  124.1085 6.779891 128.4161 7.250468 
-4.307602      9.926541 
1 1 1 -12 20 10 o 284.3875 4.172273 823.6683       24.12873  827.9244       
33.71194  819.1981       34.54985  284.9014 5.818859 283.3682 5.995751 
1.533173       8.355127 
1 1 1 -12 20 11 o 169.8468 4.575097 293.9366       15.80189  314.2957       
21.97568  272.1398       22.73833  175.4802 6.158328 163.2143 6.850924 
12.26593       9.211958 
1 1 1 -12 20 12 o 282.4979 4.233658 813.0219       24.32106  825.5450       
34.11314  800.0759       34.68431  284.4037 5.898412 279.9467 6.092650 
4.456970       8.480073 
1 1 1 -12 20 13 f 202.6905 4.469670 418.7119       18.42299  403.4433       
25.23441  436.1390       26.95912  198.7373 6.243992 206.6067 6.416672 
-7.869476      8.953274 
1 1 1 -12 20 14 o 97.30383 6.617545 97.24696       13.01638  89.19656       
18.26815  105.5486       18.55098  92.58553 9.854326 100.9492 9.135745 
-8.363640      13.43762 
1 1 1 -12 20 15 o 189.7801 4.758121 367.3441       18.36275  381.9836       
25.97906  352.7275       25.95864  193.2459 6.610918 185.6528 6.875893 
7.593079       9.538455 
1 1 1 -12 20 16 o 58.72374 14.93169 37.58967       17.87094  37.58967       
17.87094  0.000000       0.000000  58.72374 14.93169 ?        ?        
0.000000       14.93169 
1 1 1 -12 20 17 o 158.7340 5.403687 257.4098       17.44261  246.7965       
24.22035  268.8449       25.14054  155.0524 7.681581 161.8388 7.639068 
-6.786453      10.83338 
1 1 1 -12 20 18 o 73.89909 11.55571 58.09181       16.79673  74.80636       
26.76190  47.22794       21.57556  82.50080 16.52775 65.39441 16.28608 
17.10639       23.20351 
1 1 1 -12 20 19 o 124.8032 6.885761 160.2564       17.40786  173.9880       
24.57536  146.4281       24.66173  129.4151 9.402433 118.3939 10.34731 
11.02121       13.98115 
1 1 1 -12 20 20 o 83.32956 9.991656 72.98413       16.59359  62.75833       
22.99506  84.09449       23.96899  75.52374 15.49236 88.33496 13.79429 
-12.81122      20.74357 
1 1 1 -12 20 21 o 197.4247 6.697877 400.4354       26.88995  434.6382       
48.97329  385.6734       32.17372  203.1159 11.90876 193.2591 8.186717 
9.856735       14.45133 
1 1 1 -12 20 22 o 35.21476 14.93122 2.643538       18.54869  11.34796       
23.03943  -13.39187      31.27099  42.56507 17.20160 39.18350 17.84138 
3.381573       24.78326 
1 1 1 -12 20 23 o 136.0796 7.823616 193.2151       21.55859  212.6992       
29.98244  172.3578       31.02098  141.3821 10.50351 126.1896 12.24277 
15.19252       16.13100 
1 1 1 -12 20 24 o 79.03990 12.21645 69.49440       19.00234  61.74752       
26.89633  77.21487       26.85046  70.75926 18.48803 80.43166 16.95078 
-9.672394      25.08259 
1 1 1 -12 21 1  o 103.5674 5.767696 109.8162       12.09902  125.9888       
26.30387  105.4763       13.62604  109.7906 11.97581 101.3783 6.646353 
8.412262       13.69650 
1 1 1 -12 21 2  o 214.4977 6.278008 469.7755       27.38394  500.8268       
39.94164  442.2343       37.61634  221.0089 8.887197 207.6749 8.907201 
13.33401       12.58255 
1 1 1 -12 21 3  o 160.9773 4.119913 263.9276       13.48665  275.8287       
19.03331  251.9266       19.11294  164.4406 5.691857 157.1279 5.981674 
7.312653       8.256976 
1 1 1 -12 21 4  f 156.2756 4.111530 248.7131       13.06610  244.1862       
18.55459  253.1663       18.40287  154.7161 5.897451 157.5486 5.744067 
-2.832489      8.232512 
1 1 1 -12 21 5  o 88.10808 5.687867 79.49247       10.13657  81.23471       
14.06352  77.60873       14.62342  88.78985 7.870529 86.68834 8.400811 
2.101509       11.51168 
1 1 1 -12 21 6  o 236.1566 3.900656 567.8285       18.73222  574.2126       
26.26694  561.2215       26.72162  237.3265 5.442667 234.6080 5.601037 
2.718491       7.809881 
1 1 1 -12 21 7  o 212.4343 4.052936 459.5340       17.50837  452.0120       
23.84138  468.3392       25.79501  210.5494 5.568342 214.2792 5.919764 
-3.729752      8.127117 
1 1 1 -12 21 8  f 191.2600 4.744181 372.7169       18.45172  358.4067       
21.54804  412.0552       35.72667  187.4702 5.652287 200.5955 8.758302 
-13.12535      10.42383 
1 1 1 -12 21 9  o 95.78692 5.791142 93.93223       11.22729  93.72153       
15.16957  94.18745       16.69547  95.40018 7.890208 95.51177 8.690961 
-0.1115952     11.73832 
1 1 1 -12 21 10 o 66.52705 8.100416 45.95945       10.73243  39.10611       
14.27083  54.88211       16.28341  60.54496 12.01501 72.12639 11.48726 
-11.58143      16.62280 
1 1 1 -12 21 11 o 157.3897 4.575797 252.4471       14.64517  247.1129       
19.81639  258.8670       21.73980  155.5624 6.264241 159.1681 6.716576 
-3.605743      9.184396 
1 1 1 -12 21 12 o 99.27818 6.092978 101.0265       12.24138  108.5604       
16.79412  92.48613       17.88078  102.6193 8.113974 94.42343 9.438716 
8.195831       12.44692 
1 1 1 -12 21 13 o 42.31942 12.41088 18.90385       11.37427  10.38314       
15.37505  29.20452       16.90486  37.63008 14.39464 52.23587 15.07644 
-14.60580      20.84477 
1 1 1 -12 21 14 o 27.14232 11.58808 -0.4493695E-01 11.30928  -18.88839      
15.81282  19.68623       16.18100  24.66855 11.70418 44.63318 15.04513 
-19.96463      19.06158 
1 1 1 -12 21 15 o 49.21374 12.34514 26.13972       12.33354  19.27043       
17.07239  33.63831       17.83727  44.67796 15.44497 55.67929 15.28759 
-11.00134      21.73149 
1 1 1 -12 21 16 o 89.93886 9.004128 84.09850       16.24676  96.61643       
19.85385  58.72423       28.26671  96.15061 10.31524 72.62916 18.94182 
23.52145       21.56842 
1 1 1 -12 21 17 o 75.42564 9.319878 59.55755       13.99080  66.08933       
19.67879  52.88150       19.89493  78.60720 12.74735 69.66608 14.51436 
8.941116       19.31739 
1 1 1 -12 21 18 o 87.00323 9.864964 79.30061       17.14499  87.74252       
27.06135  73.63980       22.15992  89.84499 15.36376 82.70361 13.65270 
7.141380       20.55338 
1 1 1 -12 21 19 o 279.9763 4.925421 800.8059       28.04246  807.1216       
39.76774  794.5593       39.54921  280.4112 6.974036 278.2142 6.990481 
2.196991       9.874412 
1 1 1 -12 21 20 o 104.4785 8.292101 113.2898       17.47264  95.72780       
24.54784  131.3239       24.87551  94.50932 13.12732 111.6823 11.10014 
-17.17299      17.19127 
1 1 1 -12 21 21 o 81.31372 12.92760 71.52277       20.66081  66.10451       
38.53495  73.70872       24.47622  74.95038 23.04468 81.66162 15.30149 
-6.711243      27.66212 
1 1 1 -12 21 22 o 87.00311 10.80998 80.84492       18.71321  71.50281       
25.70616  91.37686       27.29410  79.35612 16.46899 90.52482 15.37696 
-11.16870      22.53172 
1 1 1 -12 21 23 o 86.11020 12.95620 81.98638       21.98451  79.58690       
26.30075  87.55096       40.05207  83.05836 16.15320 82.55833 23.00109 
0.5000229      28.10651 
1 1 1 -12 21 24 o 37.95942 15.27280 10.79529       18.07567  48.05013       
26.48316  -21.69632      24.73227  61.82799 19.11981 31.07893 14.71425 
30.74906       24.12626 
1 1 1 -12 22 1  o 71.06229 9.788780 52.90203       13.77011  50.41622       
21.50397  54.62983       17.92792  68.04819 15.83708 71.55013 12.79111 
-3.501938      20.35745 
1 1 1 -12 22 2  o 134.8419 4.798238 185.3685       13.15703  224.9105       
29.59722  175.6300       14.68811  147.5618 9.921029 131.1965 5.505442 
16.36528       11.34622 
1 1 1 -12 22 3  o 247.4943 3.860822 623.8216       19.43106  672.9122       
28.25025  579.7443       26.76888  256.8465 5.408753 238.3875 5.521986 
18.45908       7.729615 
1 1 1 -12 22 4  o 219.4241 3.894738 490.3167       17.37857  500.3997       
24.62431  480.3109       24.52998  221.4992 5.466893 216.9961 5.558965 
4.503098       7.796730 
1 1 1 -12 22 5  o 369.4926 6.013410 1393.204       45.18330  1393.204       
45.18330  0.000000       0.000000  369.4926 6.013410 ?        ?        
0.000000       6.013410 
1 1 1 -12 22 6  o 155.2345 4.211806 245.4507       13.29561  248.1089       
18.28792  242.4705       19.36384  155.9527 5.766601 154.1329 6.177952 
1.819794       8.451081 
1 1 1 -12 22 7  o 186.3047 4.127472 353.5152       15.63721  403.1954       
22.39176  306.2227       21.84702  198.8302 5.538019 173.2106 6.202496 
25.61958       8.315084 
1 1 1 -12 22 8  o 208.0152 4.670583 440.9398       19.75685  441.2073       
23.37557  440.2707       36.96579  207.9857 5.526847 207.2755 8.770020 
0.7101440      10.36626 
1 1 1 -12 22 9  o 103.5041 5.430373 109.5666       11.38990  102.4406       
15.33715  118.3294       17.00757  99.78214 7.616104 107.2458 7.853096 
-7.463684      10.93966 
1 1 1 -12 22 10 o 177.2556 4.304870 320.1262       15.51713  319.2891       
21.34712  321.0641       22.59508  176.8587 5.935556 177.3097 6.266568 
-0.4510040     8.631379 
1 1 1 -12 22 11 o 67.87209 8.173095 47.87451       11.05372  42.45459       
14.53502  55.30846       17.02273  63.13034 11.75463 72.22217 12.01258 
-9.091831      16.80695 
1 1 1 -12 22 12 o 90.88598 6.578967 84.88328       12.07700  91.28579       
16.42623  77.35039       17.81738  93.91203 8.700143 86.03413 10.39481 
7.877892       13.55524 
1 1 1 -12 22 13 o 78.32191 7.729420 63.47210       12.15011  60.84201       
16.98307  66.22968       17.38984  75.90499 11.35113 79.32259 11.08345 
-3.417603      15.86477 
1 1 1 -12 22 14 o 176.0954 4.747290 316.3224       16.99985  341.3142       
24.15747  291.8051       23.92703  182.6597 6.503650 168.8170 6.969812 
13.84271       9.532877 
1 1 1 -12 22 15 f 147.9198 7.871125 225.2284       23.59115  221.8392       
34.98535  228.0544       31.94711  145.6581 11.91568 148.0942 10.67988 
-2.436066      16.00135 
1 1 1 -12 22 16 o 90.65237 7.677385 84.96990       14.01989  74.51521       
19.16469  97.00628       20.56336  83.94389 11.53155 96.19727 10.69280 
-12.25339      15.72618 
1 1 1 -12 22 17 o 134.0822 6.026527 184.0082       16.43197  175.9754       
23.14815  192.1673       23.32955  130.3586 8.783423 136.3365 8.456505 
-5.977905      12.19266 
1 1 1 -12 22 18 o 43.09402 14.03083 19.11242       14.10340  -1.879652      
19.37315  42.78099       20.57115  34.26332 14.90058 62.15696 16.13390 
-27.89365      21.96201 
1 1 1 -12 22 19 f 60.11219 12.90799 39.34615       15.30753  60.25134       
21.98613  19.67891       21.32523  74.05357 15.11158 46.61906 17.13358 
27.43451       22.84556 
1 1 1 -12 22 20 o 122.8688 7.217402 155.8324       17.95407  183.9463       
25.89131  129.7916       24.91840  132.7747 9.655418 110.8956 11.20343 
21.87911       14.78999 
1 1 1 -12 22 21 o 69.09361 15.55332 53.50714       21.32607  47.44628       
40.17028  55.88578       25.16529  65.72559 23.60782 69.93867 17.68382 
-4.213081      29.49656 
1 1 1 -12 22 22 f 56.83998 14.89654 36.59400       17.42689  48.82891       
25.53531  25.92760       23.84238  64.58183 18.49755 50.27714 18.17118 
14.30468       25.92973 
1 1 1 -12 22 23 o 145.2235 8.610104 222.3233       25.31366  216.2358       
30.62191  235.4608       44.98495  141.8651 10.69326 143.8650 15.62797 
-1.999832      18.93619 
1 1 1 -12 22 24 o 56.08949 15.06731 37.53279       17.55132  17.25811       
25.39274  56.07988       24.28681  44.48488 18.03024 67.16090 17.57817 
-22.67602      25.18098 
1 1 1 -12 23 1  o 258.8120 4.890902 683.2965       25.74097  620.3564       
43.30683  717.6806       32.00896  245.7482 8.665918 265.0389 5.938962 
-19.29066      10.50568 
1 1 1 -12 23 2  o 96.84151 5.921506 96.13531       11.60522  96.02660       
25.48750  96.16373       13.03485  95.19009 13.54934 96.75145 6.665842 
-1.561356      15.10026 
1 1 1 -12 23 3  f 121.6043 4.454456 150.7140       11.01527  155.3916       
15.46528  145.8977       15.69310  123.3426 6.165855 119.3119 6.492489 
4.030716       8.953781 
1 1 1 -12 23 4  o 139.8566 5.269720 199.5122       14.98724  185.4855       
28.78073  204.7309       17.55530  133.7857 10.66758 141.5977 6.096780 
-7.812042      12.28690 
1 1 1 -12 23 5  o 63.29964 9.085733 41.92935       11.36002  47.86800       
21.23694  39.54897       13.44533  66.39583 15.93231 61.00925 11.25193 
5.386578       19.50499 
1 1 1 -12 23 6  o 106.0231 4.910511 114.5966       10.58714  123.1100       
14.66314  105.3249       15.30227  109.5766 6.611445 101.1946 7.489315 
8.381989       9.990047 
1 1 1 -12 23 7  o 262.4120 3.965909 701.3600       21.16303  706.7335       
29.51786  695.6763       30.35792  263.2029 5.514966 261.1031 5.717530 
2.099731       7.943866 
1 1 1 -12 23 8  o 58.69158 8.224888 35.96257       9.546933  39.98500       
12.51409  30.36175       14.76659  61.52672 10.37072 53.09631 13.61226 
8.430408       17.11273 
1 1 1 -12 23 9  f 106.2255 6.048188 115.5882       13.01083  113.2566       
14.88704  123.1289       26.77238  105.0104 7.011787 108.4198 12.36417 
-3.409409      14.21400 
1 1 1 -12 23 10 o 127.3075 4.901244 165.2723       12.68855  168.1823       
17.57741  162.1060       18.33520  128.0774 6.772943 125.6668 7.204940 
2.410561       9.888576 
1 1 1 -12 23 11 o 174.9882 4.389111 312.1160       15.61841  330.6830       
21.68870  292.1167       22.50970  179.9344 5.927450 169.0327 6.548588 
10.90169       8.832817 
1 1 1 -12 23 12 o 91.29362 6.640471 85.69595       12.24349  86.95335       
16.88740  84.30265       17.77662  91.50404 9.200196 89.93873 9.882607 
1.565315       13.50220 
1 1 1 -12 23 13 o 113.6683 5.789810 132.3466       13.33874  150.7381       
18.76154  113.5485       18.96780  121.0088 7.663879 104.6924 8.996842 
16.31640       11.81855 
1 1 1 -12 23 14 o 95.39204 6.836556 93.65655       13.17381  78.81723       
18.30538  109.5993       18.97376  86.68395 10.60579 102.7650 9.175909 
-16.08104      14.02427 
1 1 1 -12 23 15 f 33.35513 14.58381 -3.021127      18.77653  14.62439       
28.59001  -16.40464      24.89901  48.23569 19.27813 34.14260 15.68620 
14.09309       24.85363 
1 1 1 -12 23 16 o 250.6018 4.655417 641.0272       23.72434  663.3209       
34.30788  620.5970       32.84263  254.4153 6.631309 246.1055 6.562436 
8.309784       9.329514 
1 1 1 -12 23 17 o 129.9775 7.009892 173.8964       18.45959  175.0378       
30.87149  173.2612       23.03034  128.9462 11.90779 129.2842 8.812535 
-0.3380280     14.81406 
1 1 1 -12 23 18 o 84.53737 8.958798 74.64243       15.16634  71.86040       
20.98967  77.68172       21.93869  81.73924 13.06786 85.03837 13.10776 
-3.299126      18.50898 
1 1 1 -12 23 19 o 167.7433 5.831368 288.2079       19.89147  285.5421       
28.28948  290.8148       27.97475  166.1096 8.402194 167.9019 8.193304 
-1.792328      11.73572 
1 1 1 -12 23 20 f 123.8212 7.181832 158.3590       18.00579  180.4586       
26.02699  138.0732       24.93611  131.3464 9.815315 114.4323 10.84537 
16.91405       14.62746 
1 1 1 -12 23 21 f 126.0215 8.845368 165.9467       22.52432  154.6743       
41.76593  170.5698       26.74734  116.8106 18.17365 127.1102 10.44005 
-10.29963      20.95892 
1 1 1 -12 23 22 o 60.68287 14.74821 41.93440       18.02126  43.88202       
25.62489  40.02846       25.34917  61.09158 18.79346 58.68988 18.78321 
2.401703       26.57072 
1 1 1 -12 23 23 o 66.43394 16.14559 52.37951       21.59840  79.31763       
27.10951  5.565897       35.73749  81.66843 16.88148 45.54443 20.01118 
36.12400       26.18074 
1 1 1 -12 23 24 o 43.49590 15.68964 20.85470       17.76240  20.53972       
26.36748  21.11640       24.03402  45.98193 18.46533 45.50153 17.83584 
0.4804077      25.67267 
1 1 1 -12 24 1  o 61.70565 8.307364 39.79211       10.15924  10.01438       
22.30982  47.58228       11.41100  42.30560 16.98654 67.53321 8.497246 
-25.22761      18.99331 
1 1 1 -12 24 2  o 40.73128 11.18025 17.70260       9.541673  -19.78927      
22.07800  26.31369       10.58085  30.76750 14.35440 49.53873 10.80727 
-18.77123      17.96791 
1 1 1 -12 24 3  o 259.2960 4.632023 685.5504       24.42407  683.6643       
45.44987  686.3163       28.96121  258.0324 8.661777 259.2924 5.492568 
-1.260010      10.25645 
1 1 1 -12 24 4  o 278.7956 4.678349 792.4864       26.52344  855.3566       
50.40469  768.4116       31.19103  288.7028 8.585557 274.3664 5.590458 
14.33643       10.24524 
1 1 1 -12 24 5  o 101.0947 6.102499 104.7648       12.48668  129.9129       
24.13047  95.56842       14.59229  111.7527 10.75100 96.33119 7.508421 
15.42155       13.11337 
1 1 1 -12 24 6  o 195.1927 4.761487 388.4532       18.89982  391.9504       
35.33924  387.0523       22.36740  195.4052 8.893437 194.7320 5.648417 
0.6732635      10.53555 
1 1 1 -12 24 7  o 92.06938 5.529860 86.81702       10.30536  73.07223       
13.99882  103.0781       15.22641  84.02485 8.301346 100.0643 7.538212 
-16.03948      11.21325 
1 1 1 -12 24 8  o 190.8700 4.025531 371.1634       15.62472  372.2545       
21.74197  369.9980       22.46937  190.9722 5.598571 190.3651 5.804330 
0.6071472      8.064381 
1 1 1 -12 24 9  o 110.1434 5.980826 124.2721       13.34565  129.9436       
15.27011  105.9295       27.46155  112.5309 6.703354 99.96884 13.88334 
12.56205       15.41694 
1 1 1 -12 24 10 o 105.0418 5.488293 112.9406       11.68263  121.9007       
15.78834  102.0980       17.36786  108.8920 7.170106 99.34286 8.684496 
9.549110       11.26192 
1 1 1 -12 24 11 o 167.3908 4.499517 285.6996       15.31612  273.2652       
20.66453  300.8571       22.81538  163.4987 6.215269 171.5049 6.541835 
-8.006287      9.023590 
1 1 1 -12 24 12 o 92.38401 6.277318 87.67710       11.72298  80.88164       
15.97511  95.60648       17.25655  88.21842 9.032344 96.00592 8.941875 
-7.787498      12.70985 
1 1 1 -12 24 13 o 36.32682 12.40403 12.72591       11.00003  15.28726       
14.87966  9.639118       16.33474  40.62666 14.39184 37.76719 14.73169 
2.859470       20.59484 
1 1 1 -12 24 14 o 107.8843 6.307833 119.5180       13.77827  139.5241       
19.38149  99.07686       19.59105  116.2073 8.255386 97.41772 10.03287 
18.78956       12.99269 
1 1 1 -12 24 15 f 143.2084 8.175904 211.6578       23.71106  168.1028       
34.52193  250.5543       32.62354  125.8315 13.71335 155.1688 10.39908 
-29.33730      17.21037 
1 1 1 -12 24 16 o 103.6608 7.007697 110.7737       14.68530  119.8138       
20.63123  101.4895       20.90785  107.2149 9.563169 98.31496 10.62681 
8.899940       14.29627 
1 1 1 -12 24 17 o 47.61234 14.49954 24.27490       15.30079  9.766091       
24.47858  33.57878       19.60209  43.26774 17.64049 55.38062 16.30730 
-12.11288      24.02321 
1 1 1 -12 24 18 o 138.1593 6.237798 195.7077       17.52520  200.4670       
24.57083  190.7794       25.00359  139.0147 8.736186 135.4776 9.128979 
3.537033       12.63563 
1 1 1 -12 24 19 o 75.88155 10.41946 61.03712       15.65364  82.94526       
22.01149  38.61966       22.26588  87.90406 12.68045 58.92843 17.38801 
28.97563       21.52061 
1 1 1 -12 24 20 o 42.57097 14.83734 17.94709       15.77098  23.95527       
22.59418  12.23843       22.02381  49.28931 17.70512 42.53459 16.94596 
6.754723       24.50789 
1 1 1 -12 24 21 o 87.13926 11.88028 81.97271       20.50328  107.3091       
39.32476  72.51398       24.02758  94.82764 20.95135 80.41069 15.25222 
14.41695       25.91504 
1 1 1 -12 24 22 o 53.18508 15.64566 32.50260       18.05144  29.41090       
26.66035  35.11988       24.52973  52.37529 19.17118 55.25065 18.52470 
-2.875359      26.65893 
1 1 1 -12 24 23 o 67.75211 13.79183 52.91032       18.35583  35.04893       
26.33567  69.78533       25.59816  54.14016 19.15008 75.94404 16.99925 
-21.80388      25.60664 
1 1 1 -12 24 24 o 128.3634 8.801739 177.1355       22.83653  200.1478       
37.75433  163.8583       28.67749  130.7944 14.43521 120.8677 11.81878 
9.926712       18.65634 
1 1 1 -12 25 1  o 98.15305 5.544907 98.74990       11.02221  98.30554       
23.04118  98.88176       12.55151  96.52787 11.99693 98.10032 6.325499 
-1.572449      13.56238 
1 1 1 -12 25 2  o 43.95490 10.53121 20.76004       9.289722  -33.08359      
22.23156  32.15047       10.22522  27.56555 13.29003 55.11119 9.464914 
-27.54564      16.31593 
1 1 1 -12 25 3  o 38.14099 11.72177 15.11060       9.971384  25.53869       
23.36035  12.78727       11.02636  51.45531 18.05087 36.42638 12.41896 
15.02893       21.91037 
1 1 1 -12 25 4  o 213.3329 4.655987 464.1297       20.19859  465.9109       
38.02292  463.4294       23.84066  212.9284 8.781333 213.0454 5.502938 
-0.1169739     10.36311 
1 1 1 -12 25 5  o 50.86835 9.051930 27.37334       9.020359  30.18349       
12.93393  24.71210       12.58659  52.92385 12.25867 47.93141 12.70719 
4.992435       17.65638 
1 1 1 -12 25 6  o 210.8295 4.720746 453.2845       20.23920  450.6758       
38.28098  454.2966       23.84426  209.4101 8.989468 210.9442 5.558594 
-1.534103      10.56922 
1 1 1 -12 25 7  o 238.6584 4.798543 580.9060       23.28829  627.9841       
43.80492  562.3575       27.49591  247.2736 8.711514 234.6586 5.762091 
12.61502       10.44472 
1 1 1 -12 25 8  o 181.7230 4.049817 336.5150       14.96569  314.7083       
20.21810  362.9442       22.25802  175.5507 5.663517 188.5039 5.806504 
-12.95320      8.111160 
1 1 1 -12 25 9  o 123.4122 5.454257 155.5005       13.68816  146.0541       
15.55255  187.9668       28.83264  119.3385 6.432451 134.5132 10.62722 
-15.17472      12.42233 
1 1 1 -12 25 10 o 282.9767 4.120923 816.1816       23.71356  806.2603       
32.91272  826.8919       34.19616  280.9237 5.761345 284.4595 5.911605 
-3.535736      8.254706 
1 1 1 -12 25 11 o 66.33123 8.036927 45.81144       10.61948  61.34530       
14.34427  26.97179       15.79703  76.61507 9.404351 50.16061 14.60205 
26.45446       17.36841 
1 1 1 -12 25 12 o 84.51676 6.879719 73.64394       11.72140  82.27173       
15.98700  63.61472       17.23657  88.95858 8.959405 77.57082 11.25567 
11.38776       14.38614 
1 1 1 -12 25 13 o 81.26929 7.470554 68.33321       12.20790  85.21438       
17.00942  50.39967       17.53159  90.42176 9.387306 68.37704 13.08508 
22.04472       16.10406 
1 1 1 -12 25 14 o 50.20689 13.23379 27.37048       13.70252  17.66432       
16.41785  49.65306       24.87570  43.06548 15.13130 66.82808 17.93177 
-23.76260      23.46283 
1 1 1 -12 25 15 o 123.5944 7.167167 157.3450       17.93615  173.7074       
33.77892  150.9203       21.16659  128.0070 13.16420 120.6711 8.683791 
7.335846       15.77037 
1 1 1 -12 25 16 o 72.96957 9.417619 55.97620       13.64831  49.94811       
18.84093  62.63216       19.79786  67.56048 14.16640 76.13815 13.26922 
-8.577667      19.41028 
1 1 1 -12 25 17 o 239.1856 5.471135 585.4639       26.61117  586.2900       
43.58196  584.9727       33.60257  238.0476 9.003088 238.6228 6.924830 
-0.5751495     11.35821 
1 1 1 -12 25 18 o 44.45146 14.19159 20.77639       14.47733  34.20491       
20.14302  6.427423       20.82193  55.72515 16.56215 39.05697 16.13483 
16.66817       23.12223 
1 1 1 -12 25 19 f 159.5754 5.918781 261.1571       19.20656  283.1292       
27.34865  239.7742       26.97948  165.5248 8.124963 151.8859 8.772377 
13.63887       11.95699 
1 1 1 -12 25 20 o 118.9162 7.494567 146.6546       18.03065  180.6985       
26.05177  115.3535       24.98033  131.1572 9.839440 103.7533 12.06511 
27.40395       15.56860 
1 1 1 -12 25 21 o 115.5467 9.443160 140.8796       21.99449  113.6381       
41.04972  151.8495       26.04920  96.74330 21.43041 119.3068 10.85563 
-22.56351      24.02305 
1 1 1 -12 25 22 o 51.36015 15.36004 30.44823       17.28525  27.04600       
25.28229  33.43436       23.68580  50.33512 18.62809 53.72554 18.20231 
-3.390423      26.04477 
1 1 1 -12 25 23 o 31.84477 13.92316 0.2680643      17.11314  -1.518396      
25.47314  1.737590       23.10332  37.09340 16.56299 36.74734 16.11915 
0.3460579      23.11189 
1 1 1 -12 26 1  f 125.2475 4.729597 160.1211       12.04605  169.1794       
27.87577  158.0412       13.35765  127.2518 10.87688 124.3718 5.281491 
2.879959       12.09134 
1 1 1 -12 26 2  o 131.1155 5.180043 175.5698       13.81143  180.4585       
27.95048  173.9904       15.88648  131.6245 10.53059 130.4274 5.989731 
1.197083       12.11488 
1 1 1 -12 26 3  f 113.6377 5.506616 131.9281       12.72503  139.5189       
26.57685  129.6703       14.49447  115.4148 11.47593 112.3945 6.367871 
3.020309       13.12428 
1 1 1 -12 26 4  o 383.8036 4.293802 1501.943       33.51216  1525.360       
47.64433  1479.014       47.14631  386.2474 6.065886 380.3239 6.095968 
5.923523       8.599755 
1 1 1 -12 26 5  o 44.00033 9.773623 20.72921       8.517634  15.16077       
11.68204  27.04948       12.44571  38.88470 12.77504 50.04802 12.31311 
-11.16332      17.74300 
1 1 1 -12 26 6  o 74.15602 6.344742 56.64637       9.475674  50.97816       
12.97995  63.11398       13.86505  69.75803 9.388542 77.84483 8.919685 
-8.086800      12.95012 
1 1 1 -12 26 7  o 77.98229 7.978485 63.03951       12.47409  100.7434       
25.00820  50.55178       14.39234  97.57055 12.92204 69.19652 10.56290 
28.37403       16.68993 
1 1 1 -12 26 8  o 202.0137 3.987194 415.9153       16.37946  394.8534       
22.16807  441.2388       24.30760  196.6167 5.544419 207.8089 5.752102 
-11.19221      7.989197 
1 1 1 -12 26 9  f 103.1335 5.291907 108.8899       11.06110  98.81336       
14.34070  123.6885       17.37906  97.92951 7.252778 109.5090 7.856351 
-11.57947      10.69229 
1 1 1 -12 26 10 o 40.68611 11.42565 17.65658       9.842136  28.83100       
12.69140  0.7972324      15.58898  51.63942 12.26757 32.12367 13.65720 
19.51575       18.35790 
1 1 1 -12 26 11 f 196.2912 4.259840 392.9177       17.00378  396.3408       
23.72000  389.2992       24.38786  196.8741 5.924814 195.0749 6.147815 
1.799133       8.538094 
1 1 1 -12 26 12 o 198.5767 4.335865 402.2191       17.50876  405.8902       
24.19427  398.1828       25.36978  199.1964 5.972822 197.2239 6.325660 
1.972549       8.699919 
1 1 1 -12 26 13 o 105.7655 6.021982 114.8419       12.89836  117.7199       
17.87357  111.7144       18.63214  106.6319 8.308339 103.7163 8.920959 
2.915649       12.19065 
1 1 1 -12 26 14 o 74.67154 9.493779 58.54020       14.09011  80.99538       
17.37693  15.43660       24.07529  87.91298 9.891875 45.85609 17.88532 
42.05689       20.43854 
1 1 1 -12 26 15 o 157.6817 6.254085 254.8255       20.05379  231.4341       
36.17626  265.2019       24.09463  148.2161 12.10840 160.6109 7.377237 
-12.39482      14.17875 
1 1 1 -12 26 16 o 50.24444 13.97007 27.57857       14.79057  26.65178       
23.02753  28.22942       19.29741  51.42062 17.92838 51.39328 16.38216 
0.2733612E-01  24.28584 
1 1 1 -12 26 17 o 191.6020 5.173820 375.5578       20.15872  386.6832       
28.82271  364.9044       28.20480  193.8309 7.312407 188.2763 7.366748 
5.554565       10.37980 
1 1 1 -12 26 18 o 67.90530 11.36965 49.52150       15.14505  37.78194       
21.00261  62.23882       21.85975  58.21744 16.80518 75.12558 14.83531 
-16.90814      22.41652 
1 1 1 -12 26 19 o 138.8389 6.536206 198.2345       18.45391  185.7803       
25.78737  211.3070       26.41964  133.2272 9.582375 142.2895 9.179639 
-9.062286      13.26980 
1 1 1 -12 26 20 o 39.52417 14.93257 13.39501       16.41715  8.799116       
23.35689  17.88269       23.08028  41.39240 17.09333 45.70507 17.59918 
-4.312664      24.53392 
1 1 1 -12 26 21 o 48.25506 16.59154 25.18510       19.68835  19.26019       
39.49786  27.14397       22.71097  52.61767 22.01885 50.25771 17.78274 
2.359962       28.30292 
1 1 1 -12 26 22 o 129.4889 7.710321 176.2513       20.21091  213.8155       
29.39750  142.5819       27.83181  140.8843 10.33324 113.6247 12.23837 
27.25955       16.01729 
1 1 1 -12 26 23 o 53.25404 15.15847 34.33704       17.20272  22.28051       
24.58713  45.89895       24.07751  46.07148 18.04526 59.81399 18.18285 
-13.74250      25.61732 
1 1 1 -12 27 1  o 62.72116 7.871747 41.07578       9.818909  14.88286       
22.48761  47.24582       10.91429  44.66930 17.32354 67.27614 8.143645 
-22.60684      19.14221 
1 1 1 -12 27 2  f 178.8047 4.730306 326.3745       17.19964  308.4660       
32.89516  333.1124       20.17750  172.5702 9.409303 180.5148 5.496714 
-7.944519      10.89719 
1 1 1 -12 27 3  o 194.3378 4.028215 385.0745       15.91921  407.5474       
36.04616  379.6293       17.74330  198.8544 8.913994 192.8890 4.523510 
5.965469       9.996071 
1 1 1 -12 27 4  o 37.38295 10.08978 14.93443       7.848466  11.60423       
10.74649  18.74108       11.48954  35.14479 12.24793 42.07117 12.50954 
-6.926373      17.50715 
1 1 1 -12 27 5  o 175.6118 3.941257 314.3554       14.07472  299.2849       
19.35191  331.2797       20.50765  171.1378 5.560662 180.0467 5.601179 
-8.908890      7.892665 
1 1 1 -12 27 6  o 76.86606 5.965948 60.77431       9.252298  68.11241       
12.96355  53.15528       13.20936  81.05764 7.967592 71.22472 9.345666 
9.832916       12.28104 
1 1 1 -12 27 7  o 142.6834 4.341387 207.6236       12.59661  222.5148       
17.59114  191.9521       18.04616  147.5289 5.863616 136.9402 6.480408 
10.58868       8.739432 
1 1 1 -12 27 8  o 109.3063 6.091847 122.5838       13.48701  101.6092       
24.33266  131.8853       16.20387  98.00874 12.49291 113.2177 7.073503 
-15.20895      14.35643 
1 1 1 -12 27 9  o 108.2402 5.076751 119.6303       11.17445  114.7041       
15.11198  125.5734       16.59853  105.5457 7.081964 110.3858 7.437781 
-4.840103      10.27009 
1 1 1 -12 27 10 f 167.7298 5.015658 287.2691       17.10762  296.9608       
20.22212  262.8723       32.08446  170.4079 5.835599 159.1621 9.963152 
11.24579       11.54637 
1 1 1 -12 27 11 o 170.0575 4.428012 295.0562       15.31285  299.6847       
21.32303  290.1273       22.00431  171.1178 6.127768 168.3116 6.428984 
2.806244       8.881518 
1 1 1 -12 27 12 f 59.18014 9.488020 37.05657       11.03256  40.39188       
15.02729  33.15688       16.24902  61.11321 12.51304 55.06325 14.36184 
6.049961       19.04832 
1 1 1 -12 27 13 o 115.9156 6.481824 138.1466       15.21764  149.1567       
18.58235  115.7274       26.51648  120.2067 7.641553 104.3546 12.76138 
15.85214       14.87434 
1 1 1 -12 27 14 o 112.2808 6.896173 129.9102       15.66962  147.0482       
19.42468  97.97854       26.51462  119.2034 8.060716 95.33612 14.10206 
23.86732       16.24325 
1 1 1 -12 27 15 o 267.5383 5.358285 732.3517       29.15166  700.6902       
52.50778  746.4592       35.04963  259.7138 9.942079 269.7470 6.389625 
-10.03317      11.81830 
1 1 1 -12 27 16 o 94.28086 8.493574 92.59396       16.10934  123.5265       
25.73802  72.67180       20.65549  107.8646 11.93391 82.14186 12.78130 
25.72272       17.48656 
1 1 1 -12 27 17 o 64.98985 11.48402 45.49973       14.62210  39.57366       
20.25898  51.94375       21.12578  59.50116 16.27395 68.26544 15.56376 
-8.764278      22.51826 
1 1 1 -12 27 18 o 75.16396 10.39636 60.05786       15.46523  73.62023       
21.89583  46.55650       21.84652  82.22869 13.56768 64.23093 16.60425 
17.99776       21.44255 
1 1 1 -12 27 19 o 94.80257 8.718368 94.13883       16.61930  126.6047       
23.44343  61.33953       23.56351  109.3135 10.68274 73.66990 16.17225 
35.64360       19.38201 
1 1 1 -12 27 20 o 80.41980 10.76640 69.47043       17.16510  79.09535       
25.67575  61.69240       23.08123  83.61543 15.67623 73.52546 15.90004 
10.08997       22.32835 
1 1 1 -12 27 21 o 46.21938 16.62058 22.38674       19.91608  2.170143       
39.29411  29.37566       23.10353  46.78674 20.75024 51.33612 17.95461 
-4.549381      27.43976 
1 1 1 -12 27 22 o 31.71230 14.34744 -5.874950      19.82777  -10.89600      
24.02641  4.845735       35.10775  33.31035 15.34265 44.34779 19.64381 
-11.03745      24.92541 
1 1 1 -12 27 23 o 70.16879 12.75171 57.10353       17.52526  83.89565       
25.58604  33.42427       24.05380  82.90665 15.75209 51.51506 18.29305 
31.39159       24.14051 
1 1 1 -12 28 1  o 64.82274 8.113743 43.94282       10.46118  46.38795       
21.32034  43.16748       12.00575  64.61159 16.24411 63.90969 9.529140 
0.7018967      18.83283 
1 1 1 -12 28 2  o 96.10794 5.452979 94.75662       10.61334  97.72456       
25.13709  94.11275       11.70812  95.59575 13.29033 95.68238 6.048455 
-0.8663177E-01 14.60194 
1 1 1 -12 28 3  o 62.54862 7.385212 40.72353       9.212396  16.91556       
22.81885  45.35958       10.06948  45.95849 17.54684 66.00684 7.643233 
-20.04835      19.13924 
1 1 1 -12 28 4  o 161.4211 4.824295 266.0515       15.83600  248.6339       
31.08247  272.1577       18.40367  154.7001 9.932878 163.1529 5.547001 
-8.452820      11.37679 
1 1 1 -12 28 5  o 168.6498 3.879174 289.9664       13.30383  287.4852       
18.44792  292.6550       19.20374  167.7166 5.409037 169.1897 5.581623 
-1.473053      7.772529 
1 1 1 -12 28 6  o 184.2580 3.906862 346.1236       14.63881  319.2348       
19.83282  378.3060       21.69741  176.7223 5.518764 192.3739 5.546388 
-15.65167      7.824268 
1 1 1 -12 28 7  o 170.0330 4.065593 294.8077       14.05752  290.6658       
19.22546  299.5663       20.60703  168.6157 5.606957 171.1240 5.921791 
-2.508255      8.155095 
1 1 1 -12 28 8  o 152.1370 5.213461 236.4626       16.12918  187.2002       
29.78016  256.9118       19.18700  133.8352 11.04077 158.4643 5.954212 
-24.62909      12.54397 
1 1 1 -12 28 9  o 98.61723 5.389973 99.68980       10.76820  93.96387       
14.28850  107.2169       16.38240  95.38319 7.425046 101.8090 7.976791 
-6.425774      10.89773 
1 1 1 -12 28 10 o 78.44356 7.591998 63.79797       11.95907  80.52717       
14.06856  20.22081       22.70605  88.14175 7.934068 47.75545 17.65746 
40.38631       19.35808 
1 1 1 -12 28 11 o 53.08234 10.09992 30.12472       10.50399  28.30716       
14.18904  32.32857       15.62424  50.97837 13.48085 54.36825 14.03574 
-3.389877      19.46112 
1 1 1 -12 28 12 o 110.7108 5.646974 125.7331       12.67100  133.9658       
17.53838  116.7438       18.32660  113.8848 7.616999 106.0515 8.571205 
7.833267       11.46666 
1 1 1 -12 28 13 o 145.6539 5.718151 217.1847       16.93671  211.6271       
20.49430  229.1564       30.07939  143.5306 7.021616 148.2518 10.03653 
-4.721191      12.24888 
1 1 1 -12 28 14 o 125.0448 5.719835 160.1400       14.54456  156.7339       
20.12002  163.8682       21.04968  123.0113 8.088359 125.7366 8.278819 
-2.725365      11.57413 
1 1 1 -12 28 15 o 75.30998 9.184821 59.62282       13.77472  64.93044       
19.72414  54.56969       19.24547  77.46630 12.98005 70.57893 13.90378 
6.887375       19.02096 
1 1 1 -12 28 16 o 107.4104 7.912529 119.7264       17.16107  193.3847       
28.73741  78.90007       21.39475  135.7097 10.49480 85.60199 12.67356 
50.10771       16.45478 
1 1 1 -12 28 17 o 57.20033 14.35325 36.32997       16.66844  44.76168       
20.59709  20.32869       28.37433  63.12114 16.01949 49.90072 19.42946 
13.22042       25.18190 
1 1 1 -12 28 18 o 30.71610 13.13987 0.6298421      14.59307  -6.942732      
20.19109  8.911580       21.11537  32.67641 14.65714 40.19962 16.38609 
-7.523201      21.98489 
1 1 1 -12 28 19 o 85.17380 9.736148 76.89401       16.56040  72.79988       
23.59097  80.87154       23.25257  80.73820 14.91816 85.71343 13.80964 
-4.975235      20.32874 
1 1 1 -12 28 20 o 150.4142 6.691677 234.0507       20.46799  268.0460       
30.25844  205.3738       27.79094  159.4110 9.375474 139.1880 9.882852 
20.22296       13.62242 
1 1 1 -12 28 21 o 84.99160 12.37916 80.23073       20.76690  79.00937       
40.97942  80.65277       24.08917  76.31662 23.81412 83.86250 14.65915 
-7.545876      27.96432 
1 1 1 -12 28 22 o 142.0629 8.323091 214.9365       23.93961  203.2295       
29.27522  238.5666       41.59192  136.1842 10.65611 143.4349 14.45656 
-7.250702      17.95953 
1 1 1 -12 28 23 o 54.86075 15.00060 37.35427       17.21550  47.74272       
24.53488  27.27904       24.16218  59.62104 18.39743 47.55380 18.07972 
12.06724       25.79422 
1 1 1 -12 29 1  o 169.5979 4.854566 293.9827       16.74258  251.7517       
32.15750  309.6872       19.61007  155.2462 10.24372 173.9317 5.544331 
-18.68552      11.64789 
1 1 1 -12 29 2  o 46.75429 9.303582 23.39384       8.534370  11.12136       
21.96197  25.57672       9.262319  42.24988 16.89262 48.86197 9.664088 
-6.612087      19.46164 
1 1 1 -12 29 3  o 67.10766 6.835535 46.68708       9.197927  31.58868       
23.21432  49.49876       10.01782  54.66464 18.01103 69.04041 7.243320 
-14.37576      19.41295 
1 1 1 -12 29 4  o 117.8415 5.361476 141.9922       12.84795  177.2670       
27.06658  131.7323       14.59732  130.3071 10.29835 113.1992 6.367159 
17.10793       12.10771 
1 1 1 -12 29 5  f 234.1953 3.753771 559.1824       17.87711  571.6366       
25.21955  546.6041       25.34502  236.4848 5.244241 231.2144 5.390466 
5.270355       7.520584 
1 1 1 -12 29 6  o 105.9724 6.919844 115.7010       14.83030  0.000000       
0.000000  115.7010       14.83030  ?        ?        105.9724 6.919844 
0.000000       6.919844 
1 1 1 -12 29 7  f 25.57756 10.18436 3.601016       7.950583  1.775498       
10.52304  6.029217       12.13641  27.25725 11.38223 31.80640 12.60859 
-4.549150      16.98622 
1 1 1 -12 29 8  o 213.9733 4.806105 467.5777       20.91241  415.2357       
38.38947  489.6640       24.93721  200.3935 9.420568 218.7954 5.604775 
-18.40196      10.96178 
1 1 1 -12 29 9  o 80.63571 6.369277 67.03722       10.35903  70.02847       
13.92799  63.33407       15.49705  82.00137 8.474745 77.55600 10.06333 
4.445366       13.15644 
1 1 1 -12 29 10 o 141.8540 5.386661 205.7828       15.53862  211.3003       
18.06548  190.0938       30.46318  143.6115 6.185985 134.6190 11.23053 
8.992477       12.82151 
1 1 1 -12 29 11 o 252.4157 4.207190 650.1859       21.59533  623.9473       
29.59099  680.0845       31.58751  246.8377 5.895173 257.6607 6.028589 
-10.82304      8.431901 
1 1 1 -12 29 12 o 62.27114 10.06084 41.23800       12.30571  46.29502       
14.88733  30.32964       21.86498  65.64536 11.57524 53.42575 17.47380 
12.21961       20.95996 
1 1 1 -12 29 13 o 188.5962 5.161951 363.8384       19.79695  341.9819       
24.16127  408.4882       34.53340  182.5199 6.509659 198.7963 8.542396 
-16.27641      10.74003 
1 1 1 -12 29 14 o 86.43078 7.489930 77.52827       13.03415  86.33009       
18.35887  68.58269       18.50819  90.51086 10.14938 80.06534 11.71409 
10.44553       15.49935 
1 1 1 -12 29 15 o 27.29216 11.95674 -2.240846      12.67710  -14.12811      
17.85129  9.853311       18.00596  28.06259 13.03042 38.69707 15.35223 
-10.63448      20.13660 
1 1 1 -12 29 16 f 49.59063 13.58751 27.06688       14.10779  32.17874       
19.72835  21.71709       20.18225  53.98785 16.46943 47.00133 16.74927 
6.986519       23.49000 
1 1 1 -12 29 17 o 39.82455 14.83715 13.87208       16.09212  26.41578       
20.03613  -8.924418      27.01065  49.93381 16.74217 37.52994 16.88383 
12.40387       23.77738 
1 1 1 -12 29 18 o 70.78173 10.72477 53.77513       14.95332  63.94540       
21.15569  43.62119       21.13870  75.96124 14.21828 61.86525 16.49951 
14.09600       21.78057 
1 1 1 -12 29 19 o 129.4677 10.23900 177.7734       26.73698  177.7734       
26.73698  0.000000       0.000000  129.4677 10.23900 ?        ?        
0.000000       10.23900 
1 1 1 -12 29 20 o 68.48285 12.83682 52.43212       17.22001  77.88196       
26.18384  33.03530       22.85894  81.83702 16.30631 53.58207 17.88310 
28.25495       24.20126 
1 1 1 -12 29 21 o 46.61222 16.75195 24.07160       20.22934  60.20829       
38.86488  10.64319       23.69166  66.43892 23.28427 40.93542 17.08506 
25.50349       28.88003 
1 1 1 -12 29 22 o 73.49538 14.07415 63.99457       20.26856  80.96858       
24.85843  30.32844       35.00888  81.68275 15.53321 51.41799 21.04496 
30.26476       26.15666 
1 1 1 -12 30 1  f 102.1515 6.036644 107.3940       12.48414  136.7406       
27.05456  99.45477       14.07187  113.4914 11.89968 98.05883 7.105077 
15.43260       13.85946 
1 1 1 -12 30 2  o 110.1946 4.743664 124.1022       10.62981  125.9031       
27.85686  123.7953       11.49998  108.5636 12.86868 110.0090 5.140645 
-1.445343      13.85746 
1 1 1 -12 30 3  o 82.75440 5.691986 70.45322       9.520446  77.59388       
24.58340  69.19331       10.32625  84.24234 14.89515 81.90968 6.246586 
2.332664       16.15194 
1 1 1 -12 30 4  o 40.35711 10.56905 17.57111       8.776599  14.66544       
22.39174  18.09853       9.539952  44.32853 17.25999 40.97332 11.15140 
3.355213       20.54899 
1 1 1 -12 30 5  o 118.0929 4.278011 142.3416       10.27347  137.4485       
13.82644  148.3729       15.35055  115.6997 5.896159 120.1388 6.305349 
-4.439156      8.632620 
1 1 1 -12 30 6  o 168.2570 5.373162 289.5733       18.38462  289.5733       
18.38462  0.000000       0.000000  168.2570 5.373162 ?        ?        
0.000000       5.373162 
1 1 1 -12 30 7  o 159.7765 4.024441 260.4348       13.07585  250.3172       
17.71545  272.5438       19.38064  156.4035 5.569989 163.1477 5.841651 
-6.744232      8.071534 
1 1 1 -12 30 8  o 82.12643 5.821275 69.40116       9.658937  69.37302       
12.90973  69.43694       14.55790  81.71344 7.866323 81.50284 8.929821 
0.2106018      11.90045 
1 1 1 -12 30 9  o 60.95551 10.52087 39.68467       12.56984  62.38398       
25.16177  32.13593       14.51016  74.74902 16.94435 54.17799 13.27454 
20.57104       21.52498 
1 1 1 -12 30 10 o 79.08784 6.742975 64.67691       10.74099  64.67527       
13.81141  64.67942       17.08587  78.63507 8.787403 78.01214 11.08170 
0.6229324      14.14293 
1 1 1 -12 30 11 f 60.99643 9.011309 39.29871       10.84093  53.34161       
14.41966  21.04222       16.44127  70.90649 10.30182 45.31145 15.16618 
25.59504       18.33414 
1 1 1 -12 30 12 o 124.5969 6.015489 159.1870       15.24157  158.7662       
18.51920  160.0706       26.83278  123.9580 7.380161 123.3601 10.80538 
0.5979385      13.08522 
1 1 1 -12 30 13 o 88.51654 9.391928 82.24316       16.64734  82.24316       
16.64734  0.000000       0.000000  88.51654 9.391928 ?        ?        
0.000000       9.391928 
1 1 1 -12 30 14 o 162.5777 5.055916 270.5192       16.71523  264.3925       
23.13435  277.2112       24.17798  160.2167 7.100650 164.0101 7.249332 
-3.793381      10.14751 
1 1 1 -12 30 15 o 148.2460 6.178911 225.7454       18.62715  203.9020       
29.21726  240.7036       24.17797  139.2525 10.39262 152.4218 7.826881 
-13.16924      13.01025 
1 1 1 -12 30 16 f 42.32806 13.84701 18.73553       13.73022  -9.748931      
18.92433  50.39536       19.95128  30.51588 13.88879 67.14794 14.99068 
-36.63206      20.43573 
1 1 1 -12 30 17 o 122.3584 7.756346 155.5471       19.19953  185.1727       
24.03213  103.2756       31.92212  133.0965 8.930971 95.62695 17.04049 
37.46953       19.23904 
1 1 1 -12 30 18 o 174.4871 5.737721 312.9948       20.35890  329.0803       
29.08044  297.5325       28.51164  177.9792 8.034897 169.1169 8.290562 
8.862289       11.54526 
1 1 1 -12 30 19 o 146.8639 7.762666 225.1651       23.10108  236.1053       
28.38851  203.7202       39.74594  149.5125 9.384731 135.2515 14.68709 
14.26099       17.42940 
1 1 1 -12 30 20 f 117.1912 9.551476 146.7460       22.56433  126.6628       
27.51475  187.9919       39.43113  106.7074 12.94500 128.0445 15.45616 
-21.33706      20.16100 
1 1 1 -12 30 21 o 51.19308 18.57555 31.42145       24.95107  25.02201       
38.65825  35.99076       32.66606  51.26850 21.63659 54.33546 20.93310 
-3.066967      30.10542 
1 1 1 -12 30 22 o 33.45990 14.29423 5.003546       17.22758  0.9299213E-01  
24.07008  10.16104       24.66787  35.80423 16.03566 39.80162 17.05663 
-3.997391      23.41092 
1 1 1 -12 31 1  o 124.0843 4.895297 157.5380       12.35229  165.1454       
29.07385  155.8623       13.64502  124.7796 11.59038 123.3318 5.440612 
1.447769       12.80380 
1 1 1 -12 31 2  o 62.06117 6.953483 40.11186       8.624699  57.14409       
25.17188  37.84636       9.180391  70.96170 17.54320 60.09991 7.687848 
10.86179       19.15377 
1 1 1 -12 31 3  o 155.5967 4.054832 247.1381       12.82994  222.2156       
30.76533  252.3848       14.11599  145.5811 10.46190 157.1819 4.416286 
-11.60081      11.35584 
1 1 1 -12 31 4  o 162.5696 4.031497 269.7414       13.32776  274.3877       
32.57535  268.8072       14.60619  162.1339 9.927979 162.2246 4.427607 
-0.9065247E-01 10.87053 
1 1 1 -12 31 5  o 113.8525 5.602634 132.7448       12.97139  132.7448       
12.97139  0.000000       0.000000  113.8525 5.602634 ?        ?        
0.000000       5.602634 
1 1 1 -12 31 6  o 103.4208 4.623935 109.2784       9.724588  101.0303       
13.04105  119.6093       14.59508  98.99910 6.514217 107.7136 6.696379 
-8.714493      9.342191 
1 1 1 -12 31 7  o 30.32050 10.49034 8.727051       7.876674  13.64919       
10.32735  1.881857       12.17881  36.64953 12.01009 29.08149 12.20171 
7.568035       17.12086 
1 1 1 -12 31 8  o 144.4997 4.272727 213.1840       12.55520  218.1664       
17.10622  207.3659       18.48534  145.9314 5.764397 142.1504 6.394813 
3.780960       8.609408 
1 1 1 -12 31 9  o 83.40282 8.008812 72.40254       13.41612  53.17375       
26.13807  79.28049       15.63246  68.47212 18.38461 87.06536 8.957164 
-18.59324      20.45054 
1 1 1 -12 31 10 o 115.9363 5.136199 137.5205       12.10912  128.4804       
16.03383  149.5216       18.47402  111.5270 7.106797 120.2175 7.595938 
-8.690491      10.40215 
1 1 1 -12 31 11 o 123.2273 5.829143 155.6823       14.60707  148.8848       
17.56376  170.9300       26.30549  120.0318 7.229372 127.6559 10.21905 
-7.624031      12.51770 
1 1 1 -12 31 12 o 84.56870 7.989846 74.52597       13.57761  80.97242       
16.53629  61.18763       23.78640  87.78423 9.410092 73.84353 16.27858 
13.94070       18.80271 
1 1 1 -12 31 13 o 121.1055 5.693190 150.4133       14.02075  173.3256       
19.49819  125.8807       20.17583  129.4068 7.440772 109.7026 9.126898 
19.70422       11.77563 
1 1 1 -12 31 14 f 135.6850 5.551728 188.7896       15.31833  178.3645       
21.34926  199.8516       21.99180  131.0421 8.050601 138.8171 7.822400 
-7.775024      11.22507 
1 1 1 -12 31 15 o 75.51151 9.985639 60.56572       14.95733  30.21689       
22.76365  83.62366       19.84181  53.00304 17.84501 88.45509 11.28816 
-35.45205      21.11557 
1 1 1 -12 31 16 o 87.14550 9.800029 80.34212       17.06570  118.6365       
21.64782  17.47049       27.73791  105.9458 10.17307 47.89534 19.03782 
58.05046       21.58541 
1 1 1 -12 31 17 o 149.3484 8.552681 232.9214       25.86689  232.9214       
25.86689  0.000000       0.000000  149.3484 8.552681 ?        ?        
0.000000       8.552681 
1 1 1 -12 31 18 o 30.54753 13.21751 -0.1340639     15.09037  -3.665185      
20.47139  4.068016       22.33177  33.77503 14.97848 38.30431 16.31692 
-4.529282      22.14941 
1 1 1 -12 31 19 o 143.0399 6.780072 212.3418       19.72163  256.2783       
28.73966  173.2393       27.11260  155.6354 9.120576 126.9850 10.59625 
28.65034       13.98090 
1 1 1 -12 31 20 o 30.22579 13.45867 -2.944651      16.69311  15.39166       
25.47864  -16.73569      22.09625  43.87582 17.95518 30.22531 14.18481 
13.65051       22.88225 
1 1 1 -12 31 21 o 40.24380 15.13226 16.93943       16.81428  31.41813       
24.22060  3.470573       23.36067  50.43066 18.30121 36.97403 16.21387 
13.45664       24.45044 
1 1 1 -12 31 22 o 134.5633 7.465806 193.6641       20.34919  188.6225       
29.27048  198.3801       28.30976  128.8214 11.28738 132.9988 10.55407 
-4.177460      15.45294 
1 1 1 -12 32 1  o 40.92305 10.35882 18.21684       8.628358  5.901568       
23.73547  20.09209       9.262012  40.53551 17.02211 42.93267 10.65822 
-2.397152      20.08357 
1 1 1 -12 32 2  o 100.6028 5.255479 103.9623       10.71430  94.33270       
27.29985  105.7157       11.64894  92.53120 15.02374 101.3654 5.674048 
-8.834160      16.05950 
1 1 1 -12 32 3  o 44.99498 9.003270 21.73274       7.950289  39.37931       
23.75487  19.50680       8.436827  59.23357 18.07269 42.42888 9.950623 
16.80469       20.63097 
1 1 1 -12 32 4  o 43.06583 9.542395 20.02110       8.136981  8.139833       
22.90424  21.73723       8.704821  41.16110 16.95476 44.85431 9.816042 
-3.693211      19.59129 
1 1 1 -12 32 5  o 63.62750 8.596462 42.63845       10.83809  48.57416       
24.61771  41.21135       12.07085  65.40321 17.96061 62.20056 9.873005 
3.202648       20.49536 
1 1 1 -12 32 6  f 203.0390 3.742174 420.6160       15.45094  389.1739       
21.01941  457.5772       22.78965  194.9634 5.301711 211.4043 5.301179 
-16.44089      7.497375 
1 1 1 -12 32 7  o 94.69876 4.963696 91.98457       9.525475  94.33448       
12.77458  89.04180       14.29547  95.58527 6.612741 92.60822 7.659730 
2.977051       10.11928 
1 1 1 -12 32 8  o 67.77823 6.734349 47.68492       9.159016  64.80650       
12.25815  26.04582       13.78074  78.88800 7.740936 48.74357 13.45955 
30.14443       15.52680 
1 1 1 -12 32 9  o 144.0041 5.726827 212.5986       16.77028  181.2173       
32.36195  224.1196       19.60855  130.4976 12.34149 147.6723 6.529727 
-17.17464      13.96244 
1 1 1 -12 32 10 o 36.90085 12.22342 13.83269       10.68688  5.005399       
12.92067  32.95039       19.01468  31.67261 12.85299 54.50649 16.06429 
-22.83388      20.57330 
1 1 1 -12 32 11 o 118.0819 7.317534 144.3315       17.48456  144.3315       
17.48456  0.000000       0.000000  118.0819 7.317534 ?        ?        
0.000000       7.317534 
1 1 1 -12 32 12 o 196.5777 5.126273 395.7742       20.49215  396.0970       
25.26428  395.1532       35.03579  196.2853 6.329475 195.0371 8.833713 
1.248276       10.86723 
1 1 1 -12 32 13 o 108.9194 6.908759 122.7488       15.22308  112.6013       
18.59797  143.3513       26.49993  103.7032 8.905444 116.1067 11.36960 
-12.40343      14.44211 
1 1 1 -12 32 14 o 75.99989 11.34660 62.13690       16.99887  59.58293       
22.13529  65.80836       26.53974  72.83876 15.42436 75.72797 17.57329 
-2.889206      23.38229 
1 1 1 -12 32 15 o 116.1645 6.743336 139.5644       15.86086  139.8024       
22.50651  139.3297       22.35554  115.2382 9.694240 115.0625 9.643251 
0.1757126      13.67372 
1 1 1 -12 32 16 o 28.74389 12.52473 -1.324159      13.74348  -3.098230      
19.53330  0.4150756      19.34056  33.39877 14.73015 34.70447 14.98990 
-1.305695      21.01605 
1 1 1 -12 32 17 o 130.9868 7.582605 178.6485       20.11110  184.1533       
24.57595  167.4895       34.99065  132.2748 9.193660 123.2685 14.21962 
9.006371       16.93284 
1 1 1 -12 32 18 o 153.3313 6.112368 242.8261       19.05864  223.7192       
26.48876  263.3338       27.44251  145.6160 8.989388 158.2883 8.557364 
-12.67227      12.41119 
1 1 1 -12 32 19 o 70.15906 12.39748 55.19521       17.04068  64.03603       
24.67079  47.12878       23.56552  73.00544 16.94440 62.12468 17.76194 
10.88076       24.54790 
1 1 1 -12 32 20 o 110.1320 8.519341 129.7486       18.93128  152.0924       
28.45083  111.9949       25.36060  116.3910 12.20201 99.22700 12.87159 
17.16398       17.73604 
1 1 1 -12 32 21 o 46.94996 16.72978 27.13467       20.13497  14.58410       
26.01804  45.87429       31.79241  42.03403 17.74543 56.83630 20.91533 
-14.80227      27.42902 
1 1 1 -12 33 1  o 124.2644 4.428886 157.9744       11.19161  167.3135       
29.87734  156.4501       12.07043  125.0384 11.89352 123.5969 4.802463 
1.441521       12.82651 
1 1 1 -12 33 2  o 39.23826 10.09807 16.73431       8.104610  40.37744       
25.40545  14.05559       8.551413  59.62381 18.77439 36.25909 10.79463 
23.36472       21.65645 
1 1 1 -12 33 3  o 138.6776 4.348855 196.6105       12.26401  111.4472       
28.96268  215.2167       13.53758  100.8096 14.54929 145.0461 4.589693 
-44.23656      15.25605 
1 1 1 -12 33 4  o 126.9950 4.230343 164.8067       10.92480  142.3239       
29.23838  168.4549       11.77786  115.1290 12.70006 128.3486 4.512568 
-13.21959      13.47793 
1 1 1 -12 33 5  o 44.41495 9.368008 21.27563       8.194867  43.12906       
24.70598  18.57404       8.686649  61.59937 18.35020 41.34301 10.35474 
20.25636       21.07013 
1 1 1 -12 33 6  o 82.39194 5.011288 69.74555       8.356368  68.71068       
11.06715  71.11800       12.74506  81.43420 6.743783 82.63608 7.671929 
-1.201874      10.21455 
1 1 1 -12 33 7  o 117.8429 4.757698 142.0661       11.40123  147.6015       
14.17938  131.9412       19.17680  119.9362 5.813737 112.5326 8.441556 
7.403633       10.24985 
1 1 1 -12 33 8  o 119.3899 4.971701 145.9087       12.07046  146.3350       
15.04042  145.1372       20.23190  119.1796 6.227549 118.0324 8.485787 
1.147163       10.52573 
1 1 1 -12 33 9  o 266.4534 4.563788 726.0544       24.72852  742.5187       
31.25677  698.5079       40.43032  269.0189 5.713599 260.0019 7.646792 
9.017059       9.545609 
1 1 1 -12 33 10 o 34.34054 12.02261 11.29897       10.36039  16.58987       
12.54312  -0.6110223E-01 18.37939  40.07250 13.24099 33.84794 14.61631 
6.224556       19.72208 
1 1 1 -12 33 11 o 32.64508 13.15030 5.964078       13.41813  5.964078       
13.41813  0.000000       0.000000  32.64508 13.15030 ?        ?        
0.000000       13.15030 
1 1 1 -12 33 12 o 50.60180 11.28388 28.01636       11.31537  28.74114       
15.22463  27.12193       16.91289  50.84612 14.18645 49.65377 15.26697 
1.192352       20.84072 
1 1 1 -12 33 13 o 31.49316 12.43580 6.484594       11.76337  4.154514       
15.90927  9.294977       17.47220  33.69088 14.02579 37.74798 15.07628 
-4.057098      20.59167 
1 1 1 -12 33 14 o 157.9248 5.756468 256.2542       18.48664  244.4711       
29.02236  264.2994       23.98118  152.6710 9.393719 159.8506 7.377427 
-7.179520      11.94439 
1 1 1 -12 33 15 o 164.6067 5.358527 278.1248       17.93678  278.9531       
25.29523  277.2870       25.43824  164.0769 7.581229 163.5590 7.648233 
0.5178986      10.76896 
1 1 1 -12 33 16 o 87.99113 8.740814 81.60937       15.43321  111.9036       
22.95692  56.62771       20.84703  102.0800 11.24573 70.71220 14.96439 
31.36778       18.71895 
1 1 1 -12 33 17 o 35.20407 14.48401 6.436539       16.69090  -3.095609      
20.19160  27.00377       29.65946  33.64297 14.89997 52.06648 19.97481 
-18.42352      24.91992 
1 1 1 -12 33 18 o 23.50222 11.19949 -17.06747      14.79695  -10.94148      
20.73055  -23.43011      21.12717  31.07327 14.28972 27.92590 13.32816 
3.147371       19.54062 
1 1 1 -12 33 19 o 127.6209 8.037553 172.4630       20.75261  202.1943       
34.28003  155.2631       26.07331  134.3871 12.69424 119.1155 10.88434 
15.27163       16.72162 
1 1 1 -12 33 20 o 41.67399 15.87501 18.40426       18.65127  65.23262       
32.26281  -5.101848      22.85799  67.80450 21.12561 33.58242 15.27663 
34.22207       26.07042 
1 1 1 -12 33 21 o 43.45807 16.22831 22.63772       19.27311  -13.82909      
24.37341  83.48702       31.48439  31.42295 14.79443 76.24757 20.04196 
-44.82462      24.91095 
1 1 1 -12 34 1  o 86.43200 5.401478 77.00648       9.446165  107.8898       
27.89637  73.00674       10.03924  98.80633 14.29972 84.03436 5.912462 
14.77197       15.47382 
1 1 1 -12 34 2  o 145.3314 4.280941 216.0497       12.65174  219.0093       
30.46036  215.4327       13.90818  143.8424 10.48571 145.0309 4.715834 
-1.188492      11.49736 
1 1 1 -12 34 3  o 21.92081 9.153884 1.176275       6.806155  8.522988       
23.25966  0.4883112      7.117698  41.19724 17.03885 21.82455 9.251256 
19.37269       19.38835 
1 1 1 -12 34 4  o 66.42562 5.900423 45.69131       7.887236  29.44057       
24.75149  47.52794       8.321010  52.83171 18.57795 67.71427 6.108656 
-14.88256      19.55648 
1 1 1 -12 34 5  o 183.5116 4.069772 344.1305       15.18746  378.9780       
37.76357  337.4067       16.58809  190.0822 9.803053 181.6111 4.491615 
8.471146       10.78306 
1 1 1 -12 34 6  o 21.94813 8.907578 2.173104       6.206421  -0.3672773     
7.688342  6.925418       10.51564  22.03587 9.484619 30.73599 11.86687 
-8.700123      15.19147 
1 1 1 -12 34 7  o 67.53620 6.327466 47.32626       8.588662  48.05396       
10.64053  45.96577       14.54903  67.69170 7.877251 65.13860 11.39880 
2.553108       13.85582 
1 1 1 -12 34 8  o 125.4865 4.742725 161.1914       12.10254  158.8006       
15.14919  165.4091       20.12137  124.3036 5.993136 126.1413 7.883741 
-1.837730      9.903084 
1 1 1 -12 34 9  o 136.0065 5.036544 189.5315       13.92976  192.2659       
17.17994  184.2839       23.79929  136.7197 6.179296 132.7735 8.865541 
3.946274       10.80655 
1 1 1 -12 34 10 o 59.33618 13.24052 39.07122       15.57083  12.53656       
26.86732  52.49074       19.10672  45.16652 18.45546 68.65672 14.15558 
-23.49020      23.25907 
1 1 1 -12 34 11 o 49.69573 12.52830 27.34170       12.65739  31.69890       
14.70313  14.87018       24.87516  53.30811 13.53788 45.09645 17.99604 
8.211662       22.51958 
1 1 1 -12 34 12 o 161.3688 4.893223 266.8236       16.05706  283.0591       
22.23279  249.1214       23.21529  165.6834 6.598776 155.1713 7.357180 
10.51213       9.882912 
1 1 1 -12 34 13 o 143.8876 5.963360 212.9951       17.44881  215.1079       
26.59884  211.3991       23.11830  143.1891 9.183265 142.4692 8.012172 
0.7199554      12.18718 
1 1 1 -12 34 14 o 33.58018 13.43674 7.024973       13.90713  32.54944       
21.34275  -11.80968      18.33373  53.84093 17.23547 29.05738 13.39065 
24.78355       21.82592 
1 1 1 -12 34 15 o 23.57627 11.15572 -15.18375      14.17669  -23.72778      
21.77163  -8.894350      18.67945  28.73891 13.66388 30.32647 13.80106 
-1.587555      19.42089 
1 1 1 -12 34 16 o 48.89408 16.73494 26.11122       20.02288  0.000000       
0.000000  26.11122       20.02288  ?        ?        48.89408 16.73494 
0.000000       16.73494 
1 1 1 -12 34 17 o 30.00941 13.69332 -8.616259      18.54513  -11.85587      
23.93581  -3.750911      29.33317  33.42789 15.36596 39.58115 17.71650 
-6.153252      23.45180 
1 1 1 -12 34 18 o 81.57305 9.874397 72.12049       16.04621  72.11829       
22.51446  72.12277       22.87538  78.87762 14.57324 78.70706 14.83650 
0.1705551      20.79666 
1 1 1 -12 34 19 o 38.63039 14.71941 14.65175       16.03731  30.04507       
23.02975  0.1588432      22.34605  49.86379 17.87882 35.31351 15.65558 
14.55028       23.76445 
1 1 1 -12 34 20 o 66.36657 12.83385 52.11724       16.69392  45.19535       
24.21818  58.38376       23.04316  57.61510 18.35100 66.93953 16.91975 
-9.324429      24.96071 
1 1 1 -12 34 21 o 48.55732 16.20674 31.37847       18.77422  34.12889       
23.56987  26.60447       31.05266  49.56021 18.04323 46.31715 19.46098 
3.243069       26.53842 
1 1 1 -12 35 1  o 149.0143 4.093769 227.1831       12.40517  214.6629       
33.74262  229.1398       13.33935  141.2345 11.85837 149.5863 4.385221 
-8.351822      12.64322 
1 1 1 -12 35 2  o 190.6639 3.734916 371.4733       14.48107  370.8002       
38.64654  371.5832       15.61901  187.2644 10.18687 190.6143 4.029460 
-3.349854      10.95485 
1 1 1 -12 35 3  o 130.5910 3.767805 174.2569       10.00583  167.5067       
28.79744  175.1837       10.67065  125.0789 11.44888 130.8953 4.008808 
-5.816406      12.13044 
1 1 1 -12 35 4  o 63.73371 6.676696 42.36031       8.524853  60.76572       
26.24627  40.18960       9.013550  72.14751 17.95967 61.90890 7.300015 
10.23861       19.38659 
1 1 1 -12 35 5  o 91.39168 14.09080 92.17726       25.34572  92.17726       
25.34572  0.000000       0.000000  91.39168 14.09080 ?        ?        
0.000000       14.09080 
1 1 1 -12 35 6  o 34.80460 11.61511 12.32517       9.643119  3.532024       
24.04608  14.01031       10.52666  39.51948 16.88543 36.81715 12.12836 
2.702328       20.78978 
1 1 1 -12 35 7  o 119.4799 4.370695 146.0575       10.61932  131.1031       
13.18386  173.6836       17.91913  112.7958 5.767038 129.5396 6.826512 
-16.74381      8.936442 
1 1 1 -12 35 8  o 57.98824 7.750486 35.44236       8.910759  38.78412       
10.91059  28.74849       15.44185  60.30051 9.188063 50.71483 14.33602 
9.585686       17.02769 
1 1 1 -12 35 9  o 65.55993 7.878217 45.19895       10.29280  39.20315       
12.59447  57.25698       17.86054  60.15976 10.68639 72.26260 12.61316 
-12.10285      16.53151 
1 1 1 -12 35 10 o 124.2608 6.589862 159.7227       16.59231  153.9136       
33.99017  161.5400       19.01132  118.2631 14.43304 124.6425 7.536010 
-6.379417      16.28202 
1 1 1 -12 35 11 o 33.54959 13.00311 8.457457       12.66360  4.951320       
14.30579  21.15294       27.22213  32.65057 13.41851 49.01018 19.04531 
-16.35961      23.29764 
1 1 1 -12 35 12 o 72.01245 9.320027 55.13821       13.32803  39.26904       
19.00559  70.49391       18.69559  58.62873 15.64895 80.62531 11.74820 
-21.99657      19.56808 
1 1 1 -12 35 13 o 69.96430 9.969752 52.44880       13.78323  52.73105       
20.98352  52.23459       18.27984  67.96439 15.52304 68.42213 13.61676 
-0.4577408     20.64899 
1 1 1 -12 35 14 o 110.9322 6.683520 127.6550       15.00658  130.0866       
20.97236  125.1039       21.48182  110.9367 9.384536 108.5751 9.836263 
2.361656       13.59491 
1 1 1 -12 35 15 o 40.13629 13.95555 16.51167       13.94815  27.93225       
19.43490  4.381108       20.02989  49.99727 16.48010 36.66917 15.53013 
13.32810       22.64462 
1 1 1 -12 35 16 o 105.7567 9.309353 118.9905       19.81662  119.1464       
38.70837  118.9351       23.06894  98.57626 19.99380 104.8422 10.98337 
-6.265961      22.81199 
1 1 1 -12 35 17 o 54.14921 15.14997 34.53559       17.33777  19.84180       
20.78944  68.09822       31.41984  44.43674 16.80013 72.76285 20.40775 
-28.32611      26.43333 
1 1 1 -12 35 18 o 30.44545 13.31347 0.7602404E-01  15.65274  -4.280332      
22.01796  4.527323       22.25660  33.70902 15.19690 37.14799 16.06274 
-3.438972      22.11238 
1 1 1 -12 35 19 o 35.67533 14.32015 10.70737       15.85046  13.31947       
22.94676  8.323716       21.92033  40.42832 16.83884 37.76664 16.12877 
2.661678       23.31703 
1 1 1 -12 35 20 o 31.22919 13.43098 4.110355       15.39366  6.473997       
23.05326  2.208410       20.67952  36.71140 16.10257 33.82548 15.02505 
2.885921       22.02374 
1 1 1 -12 36 1  o 39.32444 9.547848 16.92132       7.558664  -38.64248      
22.79586  23.78494       8.011924  26.31000 12.85978 46.96553 8.709622 
-20.65554      15.53163 
1 1 1 -12 36 2  o 85.09075 4.659744 74.45811       8.032343  91.26033       
27.47776  72.88818       8.399220  89.59889 15.65048 84.12926 4.931077 
5.469635       16.40893 
1 1 1 -12 36 3  o 114.6895 9.475809 139.1310       21.90203  180.1257       
30.35518  94.61339       31.63259  129.3602 11.66482 89.99737 17.91424 
39.36279       21.37728 
1 1 1 -12 36 4  o 37.05283 15.21122 7.332458       18.35882  8.423301       
24.31768  5.886689       27.99566  41.49107 17.31248 42.67282 18.22577 
-1.181755      25.13763 
1 1 1 -12 36 5  o 77.93079 17.42817 70.70073       26.92701  70.70073       
26.92701  0.000000       0.000000  77.93079 17.42817 ?        ?        
0.000000       17.42817 
1 1 1 -12 36 6  f 133.8219 5.693499 184.2117       15.49380  139.1910       
31.97506  198.0260       17.71208  112.2200 14.33953 138.5742 6.285444 
-26.35414      15.65659 
1 1 1 -12 36 7  o 76.45834 5.571092 60.40764       8.602375  59.92932       
10.96178  61.17446       13.87931  75.74909 7.202967 75.92977 9.174911 
-0.1806793     11.66455 
1 1 1 -12 36 8  o 155.4296 4.375952 247.3242       13.83114  245.5672       
19.92105  248.9595       19.21824  154.2951 6.349046 155.4494 6.079573 
-1.154266      8.790426 
1 1 1 -12 36 9  o 166.6862 4.574581 284.6403       15.50610  306.8107       
23.41990  267.3361       20.69069  172.3232 6.683284 160.9914 6.320054 
11.33179       9.198335 
1 1 1 -12 36 10 o 24.58239 11.29577 -8.349343      12.91871  3.147444       
30.28231  -10.90723      14.28372  43.06656 18.67899 25.15432 11.67155 
17.91223       22.02566 
1 1 1 -12 36 11 o 98.62958 6.271999 100.7363       12.51418  96.57385       
16.79150  105.9366       18.76851  95.75743 8.718653 100.0808 9.329588 
-4.323334      12.76934 
1 1 1 -12 36 12 o 64.91019 10.38615 45.54341       13.24720  34.71956       
19.08516  55.60649       18.40223  55.04039 16.05783 70.67900 13.29138 
-15.63861      20.84501 
1 1 1 -12 36 13 o 129.0856 6.451041 172.1825       16.93398  202.5851       
26.57563  151.4003       21.97223  138.4414 9.497302 119.7958 9.087166 
18.64560       13.14440 
1 1 1 -12 36 14 o 30.58659 12.79570 3.252425       13.33305  7.249278       
17.88083  -1.752864      20.00982  36.47603 14.99751 33.98692 14.95247 
2.489113       21.17786 
1 1 1 -12 36 15 o 41.31035 14.23886 18.01360       14.50494  21.61024       
20.04139  14.05724       21.01974  45.66914 16.63622 41.77610 16.58306 
3.893040       23.48961 
1 1 1 -12 36 16 o 130.5322 8.293349 180.0685       21.89977  187.5001       
42.11275  177.3139       25.63926  126.2167 16.82677 128.5125 9.886763 
-2.295837      19.51636 
1 1 1 -12 36 17 o 90.15620 10.64909 89.27435       19.14661  89.07027       
22.80090  89.76244       35.26058  88.46942 13.06710 82.12067 21.02461 
6.348755       24.75446 
1 1 1 -12 36 18 o 97.35514 8.885772 102.6572       17.39774  129.5831       
24.81894  76.64371       24.39479  107.2993 11.55690 79.09159 15.72133 
28.20767       19.51210 
1 1 1 -12 36 19 o 39.49894 14.72466 17.50811       15.85370  12.45294       
22.58072  22.42232       22.26368  39.20736 16.54081 43.87773 17.17550 
-4.670368      23.84525 
1 1 1 -12 36 20 o 35.67038 14.79485 11.23829       17.60811  13.58477       
22.51729  7.545003       28.24973  38.67583 16.42768 38.56794 17.31584 
0.1078911      23.86853 
1 1 1 -12 37 1  o 80.71584 5.425666 67.37887       8.853862  0.000000       
0.000000  67.37887       8.853862  ?        ?        80.71584 5.425666 
0.000000       5.425666 
1 1 1 -12 37 2  o 50.95763 19.95453 24.64224       30.06002  0.000000       
0.000000  24.64224       30.06002  ?        ?        50.95763 19.95453 
0.000000       19.95453 
1 1 1 -12 37 3  o 48.90512 19.48887 20.57461       29.13622  0.000000       
0.000000  20.57461       29.13622  ?        ?        48.90512 19.48887 
0.000000       19.48887 
1 1 1 -12 37 4  o 45.12256 18.46451 13.99646       26.94302  0.000000       
0.000000  13.99646       26.94302  ?        ?        45.12256 18.46451 
0.000000       18.46451 
1 1 1 -12 37 5  f 77.36286 13.13843 66.42979       19.93008  58.38165       
29.62591  73.08302       26.93644  69.26955 19.94864 79.03606 17.24445 
-9.766502      26.36891 
1 1 1 -12 37 6  o 41.76541 15.97409 15.35056       18.93242  29.72876       
27.42022  2.251280       26.17232  52.93096 19.43216 40.05341 17.36866 
12.87755       26.06299 
1 1 1 -12 37 7  f 47.93353 10.07055 25.11442       9.504154  17.79356       
25.07648  26.34243       10.27039  46.06601 18.16747 48.96571 10.62007 
-2.899708      21.04383 
1 1 1 -12 37 8  o 143.9688 4.106305 212.1316       12.02184  217.0591       
16.19783  206.0885       17.93792  145.2600 5.483520 141.2991 6.242823 
3.960815       8.309141 
1 1 1 -12 37 9  o 61.76328 7.591349 40.21274       9.333841  56.77160       
12.20936  16.92511       14.47905  73.29737 8.339787 40.72062 14.21527 
32.57676       16.48108 
1 1 1 -12 37 10 o 108.7883 5.521040 122.0821       12.17387  110.1188       
16.20462  137.5820       18.44505  102.5583 7.829073 114.6435 7.961225 
-12.08527      11.16582 
1 1 1 -12 37 11 o 87.40687 6.863972 79.60290       12.10224  61.31997       
16.30686  102.0207       18.05692  75.19020 10.98934 98.15379 9.152144 
-22.96358      14.30130 
1 1 1 -12 37 12 o 43.16681 13.37111 20.52796       12.94594  36.07447       
19.14641  7.433891       17.57147  55.80510 16.02701 36.36893 14.90026 
19.43617       21.88339 
1 1 1 -12 37 13 o 50.65824 12.36646 28.84077       12.62808  32.61837       
17.39380  24.63035       18.36321  53.18808 15.27601 47.32805 16.02721 
5.860035       22.14109 
1 1 1 -12 37 14 o 96.21788 7.646297 97.26096       14.83755  96.69181       
20.30970  97.91245       21.72907  94.48095 10.76289 94.66864 11.52495 
-0.1876907     15.76909 
1 1 1 -12 37 15 o 60.37148 12.47572 41.25153       14.80967  55.25782       
20.61113  26.30231       21.29361  68.64504 15.16925 48.48561 17.21213 
20.15943       22.94261 
1 1 1 -12 37 16 o 115.0838 8.998032 141.9049       20.89023  137.0954       
40.19622  143.6846       24.45176  103.8539 19.75506 114.6919 10.60401 
-10.83806      22.42113 
1 1 1 -12 37 17 o 36.31946 14.37962 11.37189       15.76697  13.53628       
21.86484  9.027119       22.75768  40.50700 16.61138 38.90662 16.52004 
1.600372       23.42754 
1 1 1 -12 37 18 o 169.6622 6.084888 302.0372       20.99370  328.7715       
30.23299  277.1422       29.17446  174.4310 8.523263 159.3671 9.039502 
15.06396       12.42411 
1 1 1 -12 37 19 o 86.14523 9.756198 83.67403       16.78951  111.6664       
24.30713  58.13356       23.21819  96.57710 12.68351 64.86333 17.28868 
31.71376       21.44224 
1 1 1 -12 38 1  o 38.20862 9.146615 16.01599       7.012339  0.000000       
0.000000  16.01599       7.012339  ?        ?        38.20862 9.146615 
0.000000       9.146615 
1 1 1 -12 38 2  o 165.9315 11.60851 298.3388       38.92351  0.000000       
0.000000  298.3388       38.92351  ?        ?        165.9315 11.60851 
0.000000       11.60851 
1 1 1 -12 38 3  o 114.8501 9.832875 140.7642       22.74342  150.2161       
32.44691  131.6349       31.88847  115.9442 14.04849 107.8387 14.94303 
8.105446       20.50986 
1 1 1 -12 38 4  o 55.06815 16.26249 35.33163       19.46948  24.35058       
26.72318  47.75446       28.42342  49.56653 18.97342 62.62487 19.87348 
-13.05834      27.47628 
1 1 1 -12 38 5  o 39.56652 15.78475 11.63074       19.13256  9.658708       
26.62438  13.73654       27.51253  42.93432 18.02879 45.07491 18.57640 
-2.140594      25.88668 
1 1 1 -12 38 6  o 48.56200 16.37721 26.10834       19.17323  38.08844       
27.16098  14.20894       27.06933  57.12669 19.49128 45.09931 18.48743 
12.02737       26.86438 
1 1 1 -12 38 7  o 110.6448 9.755844 130.3604       21.72597  153.1982       
31.36187  109.2875       30.12571  117.8214 13.32373 97.86842 15.66550 
19.95302       20.56525 
1 1 1 -12 38 8  o 59.51477 6.608264 37.10116       7.862644  31.42300       
9.638846  48.39333       13.59283  53.99173 9.102789 66.82315 10.33671 
-12.83142      13.77347 
1 1 1 -12 38 9  o 116.5629 4.784658 139.4882       11.34130  143.7793       
15.00222  133.7651       17.32551  117.7730 6.286830 113.0955 7.577182 
4.677444       9.845706 
1 1 1 -12 38 10 o 107.0234 5.557457 118.3073       12.05339  105.6921       
16.03963  134.6737       18.26934  100.3251 7.926560 113.2931 7.980919 
-12.96792      11.24835 
1 1 1 -12 38 11 o 78.93783 8.113457 65.80814       12.83859  53.83907       
18.26844  77.48829       18.04661  69.09879 13.48515 84.61651 10.72893 
-15.51772      17.23250 
1 1 1 -12 38 12 o 73.73508 9.410585 58.32209       13.78872  82.09592       
20.32251  38.04134       18.77024  86.46544 11.87131 57.02430 15.69279 
29.44114       19.67719 
1 1 1 -12 38 13 o 72.61559 9.214457 56.59983       13.30042  51.64145       
17.75945  62.93314       20.07127  67.41577 13.42613 74.40533 13.77261 
-6.989555      19.23397 
1 1 1 -12 38 14 o 59.96764 11.86666 40.41775       13.95862  52.73693       
19.17367  26.52603       20.36069  67.35216 14.43329 48.36372 16.85853 
18.98843       22.19301 
1 1 1 -12 38 15 o 136.6844 6.287636 194.4827       17.47663  200.4885       
24.65495  188.4174       24.77686  136.9427 8.901811 132.4798 9.255128 
4.462860       12.84132 
1 1 1 -12 38 16 o 84.49938 12.01405 80.94643       20.06266  63.36529       
39.25499  87.16245       23.34144  65.48473 23.35676 86.42889 13.74050 
-20.94415      27.09870 
1 1 1 -12 38 17 o 40.72881 14.48826 19.05064       15.09475  36.50474       
21.71170  2.721331       21.00047  52.75666 17.42010 34.75542 15.30372 
18.00124       23.18758 
1 1 1 -12 38 18 o 78.96462 10.49811 71.21162       16.43978  45.92802       
23.30695  96.24689       23.19220  56.99047 17.98660 89.35426 13.15755 
-32.36379      22.28539 
1 1 1 -12 38 19 o 67.75031 12.27869 55.93892       16.29376  59.45435       
24.09319  52.97601       22.11890  63.69496 17.87282 60.80710 17.14688 
2.887856       24.76799 
1 1 1 -12 39 1  o 47.35728 17.12859 24.53929       21.19062  7.620452       
30.05220  41.26997       29.88462  43.25329 18.68388 57.95578 20.41037 
-14.70249      27.67076 
1 1 1 -12 39 2  o 72.21899 20.12203 66.13602       30.65168  0.000000       
0.000000  66.13602       30.65168  ?        ?        72.21899 20.12203 
0.000000       20.12203 
1 1 1 -12 39 3  o 79.02444 19.62840 77.79145       31.40044  0.000000       
0.000000  77.79145       31.40044  ?        ?        79.02444 19.62840 
0.000000       19.62840 
1 1 1 -12 39 4  f 20.59660 10.30089 -46.31564      18.01380  -49.92027      
26.15718  -43.06380      24.84423  26.91458 13.27786 27.01804 13.25153 
-0.1034565     18.75912 
1 1 1 -12 39 5  o 56.12114 16.46055 37.12936       20.00704  15.31790       
27.99414  59.90179       28.60417  45.67907 18.77158 69.53033 19.46157 
-23.85126      27.03932 
1 1 1 -12 39 6  o 102.5273 10.90696 113.7881       22.39105  109.8655       
32.00343  117.5493       31.33849  96.89106 16.85489 101.0908 15.75832 
-4.199730      23.07406 
1 1 1 -12 39 7  o 126.7275 9.050851 170.1904       23.17103  140.3847       
32.95997  199.3145       32.58090  111.2516 14.94712 135.2021 11.97413 
-23.95053      19.15192 
1 1 1 -12 39 8  f 31.32504 9.503417 10.50291       6.582112  0.7072114      
7.733596  36.24804       12.53752  22.69791 9.633556 57.24018 11.17207 
-34.54227      14.75197 
1 1 1 -12 39 9  o 25.68786 10.34347 3.694580       8.297715  1.967359       
10.09428  7.293673       14.57129  26.42888 11.09965 33.89576 13.68627 
-7.466887      17.62147 
1 1 1 -12 39 10 o 39.64357 12.31075 17.25968       10.96626  38.80136       
14.75700  -9.307586      16.38822  58.58716 12.74867 27.70853 12.72864 
30.87863       18.01519 
1 1 1 -12 39 11 o 82.60403 8.051810 72.18797       13.35332  65.61522       
19.41353  78.09001       18.39639  76.44586 12.95055 84.61235 10.94848 
-8.166489      16.95835 
1 1 1 -12 39 12 o 25.00377 11.52116 -8.474805      13.56611  1.431945       
15.60682  -39.10007      27.44030  31.37935 13.50972 29.57568 14.37868 
1.803669       19.72965 
1 1 1 -12 39 13 o 54.45063 12.04658 33.65210       12.98546  48.93021       
17.34517  14.16953       19.58694  65.17235 13.53046 40.56181 16.03733 
24.61053       20.98259 
1 1 1 -12 39 14 o 116.8764 6.680547 143.1464       15.81190  166.5938       
22.36910  119.7311       22.35373  124.7307 8.877029 104.4726 10.67178 
20.25811       13.88123 
1 1 1 -12 39 15 o 121.6747 6.842968 155.9067       16.86279  194.2828       
24.36430  120.6219       23.36241  134.2429 8.976805 103.9808 11.22690 
30.26211       14.37450 
1 1 1 -12 39 16 o 66.13514 13.99343 52.85005       18.23229  21.94172       
34.87218  64.47728       21.38846  47.31146 20.27757 72.39645 15.02041 
-25.08499      25.23475 
1 1 1 -12 39 17 o 66.43645 11.92937 52.06993       15.52436  43.40597       
22.65844  59.73539       21.31282  55.82655 17.74693 67.90174 15.74174 
-12.07519      23.72248 
1 1 1 -12 39 18 o 25.62478 11.94654 -7.980964      15.24893  2.680974       
22.53782  -16.98245      20.70861  34.16836 15.39229 27.35956 13.09543 
6.808800       20.20923 
1 1 1 -12 39 19 o 31.41465 13.43060 6.957958       15.22942  8.312258       
21.70768  5.645274       21.37156  34.98519 15.47404 33.86473 15.14258 
1.120457       21.65049 
1 1 1 -12 40 1  o 79.01336 13.33895 71.45647       20.66942  69.34247       
28.22888  73.89978       30.34797  73.93494 18.74850 75.71735 19.56838 
-1.782410      27.10033 
1 1 1 -12 40 2  o 83.30283 19.07737 87.19281       31.62147  0.000000       
0.000000  87.19281       31.62147  ?        ?        83.30283 19.07737 
0.000000       19.07737 
1 1 1 -12 40 3  o 30.15162 14.65791 -39.74982      28.50648  0.000000       
0.000000  -39.74982      28.50648  ?        ?        30.15162 14.65791 
0.000000       14.65791 
1 1 1 -12 40 4  o 89.26701 17.29365 95.60606       30.25887  0.000000       
0.000000  95.60606       30.25887  ?        ?        89.26701 17.29365 
0.000000       17.29365 
1 1 1 -12 40 5  f 46.12304 17.08753 22.30599       21.28473  22.15611       
35.23104  22.39214       26.71033  50.69027 20.96803 47.94255 18.79993 
2.747715       28.16195 
1 1 1 -12 40 6  o 47.14656 16.81537 24.35368       20.34599  2.196656       
29.16381  45.36321       28.39859  41.06063 18.05833 60.41685 19.92160 
-19.35622      26.88816 
1 1 1 -12 40 7  f 50.64918 16.96903 29.67588       20.58263  45.64164       
29.88696  15.27208       28.38738  60.53249 20.44701 45.51174 18.82344 
15.02075       27.79212 
1 1 1 -12 40 8  o 47.08409 18.85200 19.91947       27.39446  0.000000       
0.000000  19.91947       27.39446  ?        ?        47.08409 18.85200 
0.000000       18.85200 
1 1 1 -12 40 9  o 39.01388 11.93101 16.83849       10.34512  16.03139       
11.12253  22.01418       28.16581  38.39831 12.45811 48.24219 19.18144 
-9.843884      22.87208 
1 1 1 -12 40 10 o 30.96409 12.44949 6.195573       12.00129  1.539675       
13.45675  24.29376       26.53115  29.46373 12.61138 48.66277 18.83221 
-19.19904      22.66493 
1 1 1 -12 40 11 o 40.31200 16.26095 12.75680       20.54738  -16.39769      
31.60981  34.08988       27.03933  36.97503 17.22543 53.59436 19.35404 
-16.61933      25.90935 
1 1 1 -12 40 12 o 154.6208 6.298046 248.8000       19.80273  273.2838       
23.53744  189.4823       36.63625  161.5041 7.166782 128.4830 14.26282 
33.02115       15.96216 
1 1 1 -12 40 13 o 54.57350 14.05407 35.34420       15.69118  27.78852       
18.37526  55.68945       30.15285  48.30670 16.02944 64.37637 20.47339 
-16.06968      26.00197 
1 1 1 -12 40 14 o 41.73096 14.80377 19.59246       15.74892  12.72954       
18.97393  34.79319       28.23807  38.68134 15.61795 52.44954 19.63203 
-13.76820      25.08659 
1 1 1 -12 40 15 o 52.69176 15.30172 34.87237       17.36597  54.22733       
20.96478  -7.441615      30.99817  65.45984 15.90586 37.24153 17.24954 
28.21831       23.46365 
1 1 1 -12 40 16 o 90.65138 13.99341 100.4136       24.96535  96.24873       
35.76428  104.3718       34.86553  79.13097 21.61429 84.39062 20.51599 
-5.259644      29.80072 
1 1 1 -12 40 17 o 33.01676 13.61991 9.201684       14.80700  23.10141       
22.12024  -2.082847      19.93097  42.68658 16.99042 31.15227 14.20740 
11.53431       22.14779 
1 1 1 -12 40 18 o 30.46308 13.07044 5.818435       14.51661  22.79058       
22.35788  -6.551135      19.08709  41.38610 16.86456 28.58803 13.34065 
12.79806       21.50317 
1 1 1 -12 41 1  o 58.21398 17.15711 42.81258       21.68966  23.30006       
31.33040  60.77102       30.05685  48.25616 19.84792 66.91415 20.30978 
-18.65799      28.39766 
1 1 1 -12 41 2  o 41.46327 16.51841 15.51054       20.92563  11.84140       
29.52906  19.21178       29.65798  43.63762 18.68008 46.49680 19.23622 
-2.859177      26.81376 
1 1 1 -12 41 3  f 99.23472 12.62523 111.0296       24.90047  94.03903       
37.41488  124.5385       33.36179  83.27308 21.82867 101.6687 16.71778 
-18.39565      27.49500 
1 1 1 -12 41 4  o 108.5995 14.41800 135.9947       31.05375  0.000000       
0.000000  135.9947       31.05375  ?        ?        108.5995 14.41800 
0.000000       14.41800 
1 1 1 -12 41 5  o 95.63737 16.39829 109.0281       30.74381  0.000000       
0.000000  109.0281       30.74381  ?        ?        95.63737 16.39829 
0.000000       16.39829 
1 1 1 -12 41 6  o 60.56532 20.09332 46.92107       28.87405  0.000000       
0.000000  46.92107       28.87405  ?        ?        60.56532 20.09332 
0.000000       20.09332 
1 1 1 -12 41 7  o 47.91418 18.88254 23.04161       27.07089  0.000000       
0.000000  23.04161       27.07089  ?        ?        47.91418 18.88254 
0.000000       18.88254 
1 1 1 -12 41 8  o 30.53835 14.66748 -29.48930      26.48215  0.000000       
0.000000  -29.48930      26.48215  ?        ?        30.53835 14.66748 
0.000000       14.66748 
1 1 1 -12 41 9  f 37.03986 10.57872 15.28121       8.363738  16.08653       
10.03673  13.45125       15.12973  38.04693 11.77129 37.77116 14.31953 
0.2757645      18.53678 
1 1 1 -12 41 10 o 88.22944 6.373958 81.48870       11.35904  80.87975       
14.82986  82.35310       17.66868  86.94464 8.496282 86.81651 10.20263 
0.1281281      13.27706 
1 1 1 -12 41 11 o 33.54496 13.91491 6.384481       15.57845  -14.91300      
34.20082  11.96010       17.49923  38.27099 17.85870 37.86469 15.09906 
0.4062996      23.38621 
1 1 1 -12 41 12 o 34.23266 13.60253 9.444036       14.15616  17.50619       
16.38148  -14.33062      28.13097  40.59398 15.00031 34.62759 16.17132 
5.966381       22.05721 
1 1 1 -12 41 13 o 101.2605 7.307539 108.9540       14.94634  109.2281       
20.78209  108.6603       21.51141  99.21227 10.45840 98.59529 10.91200 
0.6169739      15.11456 
1 1 1 -12 41 14 o 47.52488 13.73815 27.53552       14.02705  34.03368       
20.10073  21.36725       19.58387  51.25522 16.75353 43.09881 16.30300 
8.156406       23.37667 
1 1 1 -12 41 15 o 100.4351 7.927426 109.4219       16.05920  68.20442       
22.27310  154.0491       23.17610  72.99146 15.48538 117.3925 9.797957 
-44.40106      18.32477 
1 1 1 -12 41 16 o 90.13030 9.090248 91.08224       16.43333  100.0829       
23.85977  82.95929       22.66660  89.88151 13.46887 80.82755 14.31427 
9.053955       19.65474 
1 1 1 -12 41 17 o 30.90273 13.10819 6.880459       14.30499  2.126939       
21.34068  10.75907       19.27698  32.68155 14.82591 35.11182 15.06333 
-2.430271      21.13555 
1 1 1 -12 41 18 o 60.32378 13.08783 47.64167       15.59336  62.66661       
23.30302  35.45886       20.98359  63.41741 17.49885 47.27339 17.05293 
16.14402       24.43383 
1 1 1 -12 42 1  o 49.65789 17.29646 31.18508       21.43030  35.99673       
31.48585  27.03213       29.25140  52.47049 20.45677 48.28287 19.42791 
4.187622       28.21211 
1 1 1 -12 42 2  o 41.61837 16.69666 16.43693       21.53520  36.70699       
31.58688  -1.168215      29.43737  53.37716 20.57865 38.65574 17.48597 
14.72142       27.00444 
1 1 1 -12 42 3  o 91.20618 13.06874 95.84998       23.54593  128.5565       
35.13322  69.18135       31.72494  101.2596 17.70679 70.82713 20.71467 
30.43243       27.25120 
1 1 1 -12 42 4  o 63.24440 17.08861 50.40764       22.49848  73.98293       
37.13234  36.73244       28.28074  71.62321 22.71346 53.91139 19.74340 
17.71182       30.09490 
1 1 1 -12 42 5  f 94.05336 16.65264 107.8596       30.68432  0.000000       
0.000000  107.8596       30.68432  ?        ?        94.05336 16.65264 
0.000000       16.65264 
1 1 1 -12 42 6  o 67.22684 19.67985 59.79427       28.62267  0.000000       
0.000000  59.79427       28.62267  ?        ?        67.22684 19.67985 
0.000000       19.67985 
1 1 1 -12 42 7  f 55.59970 19.57757 39.44727       27.49460  0.000000       
0.000000  39.44727       27.49460  ?        ?        55.59970 19.57757 
0.000000       19.57757 
1 1 1 -12 42 8  o 55.84023 19.58019 40.03276       27.48485  0.000000       
0.000000  40.03276       27.48485  ?        ?        55.84023 19.58019 
0.000000       19.58019 
1 1 1 -12 42 9  o 47.37399 13.44983 26.43464       13.56130  20.00432       
34.70593  27.59338       14.73258  48.03467 20.39866 48.18514 14.12291 
-0.1504707     24.81052 
1 1 1 -12 42 10 o 99.33952 8.177306 105.6693       16.37227  101.7131       
36.37968  106.6740       18.33383  86.28958 20.94391 99.16396 9.196402 
-12.87438      22.87403 
1 1 1 -12 42 11 o 53.83535 14.49983 35.31025       16.22884  29.47365       
35.22522  36.88295       18.28504  50.74236 20.97604 54.40192 15.67350 
-3.659561      26.18498 
1 1 1 -12 42 12 o 58.25563 17.37670 44.62172       22.14349  39.72132       
36.19511  47.55289       27.99334  54.01889 21.65510 58.37033 19.78830 
-4.351440      29.33463 
1 1 1 -12 42 13 o 82.30050 11.04685 77.24966       18.02138  125.7345       
39.87040  64.80072       20.20292  92.63414 21.56835 72.85236 14.14701 
19.78178       25.79402 
1 1 1 -12 42 14 f 39.22950 15.12005 17.29966       17.04846  -29.01403      
36.08022  30.61253       19.34418  34.32229 16.64036 47.98654 16.44875 
-13.66425      23.39793 
1 1 1 -12 42 15 o 53.09329 15.35987 38.09795       17.52799  50.18478       
35.86376  34.30478       20.09099  53.59698 21.53108 49.26543 16.76386 
4.331547       27.28763 
1 1 1 -12 42 16 o 34.11856 14.28214 10.94539       16.62526  -2.910788      
37.22932  14.39687       18.58087  37.32886 17.78174 36.54453 15.18107 
0.7843323      23.38066 
1 1 1 -12 42 17 o 30.55439 12.97674 7.529392       14.04800  -13.97399      
21.24636  24.23251       18.72534  27.43998 13.16828 40.98718 15.83253 
-13.54720      20.59302 
1 1 1 -12 43 1  o 46.17918 17.19714 27.03243       21.61383  27.03751       
31.53274  27.02794       29.68410  47.35958 19.73370 47.08464 19.33728 
0.2749405      27.62878 
1 1 1 -12 43 2  o 87.27943 13.06090 89.93031       22.46870  141.2340       
35.64180  56.09562       28.94452  104.5699 17.37055 62.30048 20.08505 
42.26940       26.55457 
1 1 1 -12 43 3  o 83.87491 13.86469 83.91167       22.82171  41.29057       
34.53903  116.9393       30.40442  54.51845 21.37832 97.07486 15.95662 
-42.55641      26.67670 
1 1 1 -12 43 4  o 78.58006 14.52247 74.44139       22.35140  76.35455       
34.74372  73.09054       29.19479  72.07375 21.82702 73.32138 19.31228 
-1.247627      29.14418 
1 1 1 -12 43 5  f 38.44788 16.03279 10.84631       20.83728  20.44096       
31.96373  3.755235       27.47889  46.55259 19.66177 39.02713 17.32849 
7.525459       26.20804 
1 1 1 -12 43 6  o 79.02422 14.35789 74.64054       22.22304  84.91982       
34.94715  67.66187       28.79498  77.16080 21.48107 70.63548 19.43602 
6.525322       28.96887 
1 1 1 -12 43 7  f 89.96729 12.83983 93.64599       22.82426  95.31568       
37.97144  92.70144       28.55956  80.89248 22.34418 85.83109 16.96411 
-4.938606      28.05429 
1 1 1 -12 43 8  o 49.67502 17.16880 30.93381       21.09544  72.05766       
34.90746  7.274421       26.47726  69.96979 22.00296 39.72615 17.34510 
30.24364       28.01754 
1 1 1 -12 43 9  o 27.82149 13.24868 -18.84321      20.63287  -15.02183      
33.11126  -21.26898      26.38095  36.74077 17.28143 31.43134 14.97134 
5.309427       22.86457 
1 1 1 -12 43 10 o 67.50672 7.998852 49.35208       10.76703  46.50890       
14.14333  53.27106       16.60492  63.64261 11.34425 67.36551 12.58402 
-3.722897      16.94253 
1 1 1 -12 43 11 o 92.80962 6.680651 91.44463       12.52416  77.99493       
16.62381  109.0990       19.04588  83.54802 9.982258 99.31368 9.548316 
-15.76566      13.81361 
1 1 1 -12 43 12 o 87.04616 7.526110 81.73000       13.19101  94.98695       
18.22816  67.15459       19.11311  92.04181 9.894167 74.78017 13.04312 
17.26164       16.37124 
1 1 1 -12 43 13 o 47.62173 13.02417 28.21514       12.97612  38.19190       
18.53373  18.62234       18.17359  53.27925 15.89854 40.03675 15.56048 
13.24250       22.24617 
1 1 1 -12 43 14 o 75.24388 9.372914 64.36089       14.03068  65.72435       
19.84645  62.99854       19.83829  71.56993 14.13792 69.67035 14.47531 
1.899582       20.23401 
1 1 1 -12 43 15 o 46.18393 13.80737 28.57930       13.96905  9.764487       
20.05749  46.30119       19.46622  34.77370 15.14200 56.57577 16.13219 
-21.80207      22.12528 
1 1 1 -12 43 16 o 22.92638 10.86665 -9.491688      13.56367  1.258157       
20.77309  -17.48077      17.90806  31.25526 14.34786 24.29766 11.76640 
6.957602       18.55558 
1 1 1 -12 44 1  o 60.39838 16.91697 50.85493       21.60557  45.85000       
33.57523  54.39212       28.22602  53.02281 20.98661 58.84786 19.87076 
-5.825047      28.90130 
1 1 1 -12 44 2  o 56.10936 17.26220 43.72076       21.61874  48.93380       
33.89768  40.14664       28.06786  55.28188 21.31666 52.15203 19.56254 
3.129845       28.93256 
1 1 1 -12 44 3  o 42.77034 16.91093 21.18264       21.77945  50.44272       
36.94953  5.604034       26.96097  56.17546 22.08517 38.18387 17.04560 
17.99158       27.89816 
1 1 1 -12 44 4  o 57.45430 16.46899 43.64199       20.23452  51.98415       
32.64550  38.43765       25.78501  58.21396 21.22851 52.50594 18.90839 
5.708019       28.42845 
1 1 1 -12 44 5  o 73.25301 15.35221 67.47445       22.13748  25.36643       
33.43620  100.3386       29.53901  47.36599 20.06310 87.74883 17.16886 
-40.38284      26.40640 
1 1 1 -12 44 6  o 30.03082 13.93753 -9.163447      20.38593  16.68533       
32.35595  -26.17916      26.25181  44.26336 19.25305 29.95465 14.44184 
14.30871       24.06754 
1 1 1 -12 44 7  o 44.81610 16.90726 24.30196       21.02682  17.60276       
33.71593  28.56590       26.89860  44.92105 19.59423 47.76381 18.82265 
-2.842758      27.17032 
1 1 1 -12 44 8  o 35.01156 15.33780 4.382953       20.85781  -3.399660      
33.55549  9.283376       26.62672  38.90136 17.99317 39.65145 17.35103 
-0.7500916     24.99624 
1 1 1 -12 44 9  o 29.21819 13.71613 -12.22309      20.68553  45.40366       
34.22317  -45.39521      25.96539  54.82574 21.34068 26.28995 13.01713 
28.53578       24.99741 
1 1 1 -12 44 10 o 77.60836 6.271574 63.97269       9.813171  79.27592       
13.62042  47.45491       14.15060  85.39389 7.934256 63.78131 11.32496 
21.61258       13.82776 
1 1 1 -12 44 11 o 21.76273 10.05589 -5.894669      10.44197  -17.57772      
14.13992  8.118793       15.48608  21.83371 10.54465 33.09007 13.81206 
-11.25636      17.37707 
1 1 1 -12 44 12 o 35.74048 12.87511 14.84576       11.95623  25.10381       
16.43484  3.313150       17.42597  43.75218 15.15220 31.62103 13.93121 
12.13115       20.58319 
1 1 1 -12 44 13 o 25.64031 11.50436 -1.112745      12.44850  -11.30362      
17.44059  9.471264       17.77381  26.12522 12.36527 34.10326 14.54280 
-7.978039      19.08908 
1 1 1 -12 44 14 o 79.79689 8.848934 72.68332       14.11736  77.09751       
20.64644  68.80737       19.34680  76.81831 13.72031 72.63200 13.59853 
4.186310       19.31753 
1 1 1 -12 44 15 f 33.92699 13.45973 13.77301       13.84023  -9.261286      
19.97349  35.04834       19.19574  27.60079 13.11246 47.15282 16.37294 
-19.55203      20.97641 
1 1 1 -12 44 16 o 53.16401 13.22794 39.03241       14.24296  49.19296       
21.66459  31.29790       18.90202  53.48796 17.38866 43.74288 16.12259 
9.745075       23.71294 
1 1 1 -12 45 1  f 39.83885 15.91139 20.23491       19.46153  -29.05542      
31.02048  52.22834       24.99183  30.50797 14.93058 57.05539 18.68251 
-26.54741      23.91565 
1 1 1 -12 45 2  o 65.79045 16.54765 60.55408       22.11778  151.0678       
35.87713  5.064674       28.09089  103.5393 17.67405 36.96949 16.86291 
66.56982       24.42805 
1 1 1 -12 45 3  o 42.34985 16.62234 22.77359       20.89882  -0.8465163     
31.65656  41.02038       27.82378  37.18195 17.29386 51.38611 19.43370 
-14.20416      26.01435 
1 1 1 -12 45 4  o 89.98440 12.58047 97.54503       22.39108  118.8397       
35.14817  83.00034       29.04824  89.84047 19.77477 75.41469 18.96131 
14.42578       27.39659 
1 1 1 -12 45 5  o 72.95822 15.16301 68.63413       21.76199  121.0271       
34.71601  34.71956       27.93100  91.97839 19.18169 49.10549 19.23334 
42.87291       27.16356 
1 1 1 -12 45 6  o 44.47316 16.79314 25.54730       20.75590  65.44939       
33.03400  -0.4810821     26.68007  63.07098 21.49565 35.70639 16.34291 
27.36459       27.00284 
1 1 1 -12 45 7  o 39.11327 16.04561 15.69943       20.40999  60.81738       
34.78278  -7.993123      25.20552  59.96273 21.90537 32.85509 15.33140 
27.10764       26.73756 
1 1 1 -12 45 8  o 33.73928 14.99125 3.322064       20.60150  -23.39822      
33.44959  19.65243       26.14979  33.70731 16.26396 42.29168 17.81878 
-8.584370      24.12520 
1 1 1 -12 45 9  o 68.10520 16.15426 62.45377       22.03449  27.83914       
34.45346  86.41033       28.66257  46.23179 19.98784 77.63540 18.43081 
-31.40361      27.18839 
1 1 1 -12 45 10 o 61.19503 5.057560 39.47010       6.237334  39.90182       
7.528752  38.52535       11.13738  61.02572 6.150649 57.79385 9.828430 
3.231869       11.59433 
1 1 1 -12 45 11 f 36.48517 11.86310 16.22167       10.08343  7.516831       
14.22271  25.01869       14.29782  31.38945 13.17879 43.54761 14.12449 
-12.15816      19.31791 
1 1 1 -12 45 12 o 77.36766 8.230275 67.15935       12.74985  72.80116       
18.45628  62.00914       17.63385  76.52838 12.27450 69.91240 12.87792 
6.615982       17.79056 
1 1 1 -12 45 13 o 28.63909 12.07352 6.145918       12.01671  0.6001849      
17.83565  10.75600       16.26161  29.60512 13.47779 33.21375 14.02586 
-3.608629      19.45188 
1 1 1 -12 45 14 o 84.75704 8.315664 82.25668       14.14799  93.99813       
20.67320  71.91306       19.40365  85.48914 12.24117 72.97815 13.57453 
12.51099       18.27879 
1 1 1 -12 45 15 o 69.15643 10.41179 59.20118       14.18831  63.64517       
20.91541  55.41281       19.31109  63.82720 16.11233 59.92027 15.67026 
3.906937       22.47586 
1 1 1 -12 46 1  o 26.82755 12.74404 -9.658397      18.85912  17.32109       
30.42138  -26.49903      24.03485  38.63026 17.59252 26.38968 12.96159 
12.24058       21.85177 
1 1 1 -12 46 2  o 23.05563 11.36841 -28.49138      19.09236  -50.39043      
30.69388  -14.67097      24.38369  26.91543 13.45884 29.23135 14.04893 
-2.315924      19.45540 
1 1 1 -12 46 3  o 54.49728 16.81267 44.52332       20.49133  54.24520       
31.07008  37.03937       27.26044  54.20549 20.52744 47.42063 18.86563 
6.784855       27.87988 
1 1 1 -12 46 4  o 38.89083 16.08856 17.90423       20.74428  48.02502       
34.10572  0.2181003      26.13428  51.25756 20.85161 34.33538 15.88056 
16.92218       26.21034 
1 1 1 -12 46 5  o 57.71615 16.32358 47.46921       20.01504  86.28159       
32.98566  24.85190       25.18028  70.96387 21.21766 42.88382 17.73174 
28.08006       27.65147 
1 1 1 -12 46 6  o 48.12429 17.13823 34.04247       21.12718  72.47147       
33.46238  8.569086       27.24398  63.38562 21.63442 37.47343 16.89826 
25.91219       27.45176 
1 1 1 -12 46 7  o 31.92533 14.73043 -2.535330      22.28698  24.80270       
36.08652  -19.39267      28.33714  44.01938 19.68046 31.09061 14.99331 
12.92878       24.74106 
1 1 1 -12 46 8  o 37.21667 15.96328 13.37888       21.64175  33.43620       
34.77664  0.7020612      27.64753  46.28170 20.04531 35.20592 16.30102 
11.07578       25.83675 
1 1 1 -12 46 9  o 94.13142 12.80835 110.8376       23.88106  111.4205       
37.32626  110.4336       31.07297  78.84078 22.28952 86.02583 18.32364 
-7.185051      28.85444 
1 1 1 -12 46 10 o 37.30347 15.99412 15.11259       21.70990  4.197002       
33.85464  22.73648       28.29327  37.30028 17.52202 41.29978 17.98387 
-3.999496      25.10858 
1 1 1 -12 46 11 o 21.65255 9.651180 -0.7639055     8.607903  0.1469148      
13.36395  -1.409730      11.25319  26.47889 11.89751 24.00031 10.83804 
2.478571       16.09391 
1 1 1 -12 46 12 o 43.64621 13.80553 26.84997       13.72487  -35.85893      
35.41689  37.93137       14.88823  30.09304 14.95229 52.22321 13.80851 
-22.13017      20.35303 
1 1 1 -12 46 13 o 28.42996 11.99025 6.987181       11.85934  1.232135       
17.61955  11.75391       16.03542  28.89396 13.24549 32.67586 13.87037 
-3.781900      19.17890 
1 1 1 -12 46 14 o 24.76498 11.17999 0.5321449      11.96405  17.75657       
18.15337  -12.69422      15.90762  35.38295 14.87391 23.23473 11.21215 
12.14822       18.62647 
1 1 1 -12 47 1  o 68.01166 15.33848 69.75756       20.70799  93.27516       
32.96573  54.42916       26.61427  64.82537 21.46810 51.19501 19.07949 
13.63036       28.72118 
1 1 1 -12 47 2  o 57.39208 17.17187 54.76041       21.59993  103.6025       
35.71817  26.60080       27.12098  68.72919 22.32647 40.08323 17.52639 
28.64597       28.38390 
1 1 1 -12 47 3  o 60.54239 16.61580 57.15175       21.07658  74.41475       
30.92865  42.18452       28.79876  60.69809 20.79883 46.62959 19.08649 
14.06850       28.22916 
1 1 1 -12 47 4  o 35.63511 15.25693 14.33791       19.70398  37.52361       
29.89326  -3.474705      26.20154  45.20087 19.04842 32.13577 15.19364 
13.06511       24.36573 
1 1 1 -12 47 5  o 43.14504 16.37826 28.42641       19.80921  98.97879       
32.91006  -11.65816      24.80627  73.87106 20.94517 29.83897 14.29546 
44.03209       25.35864 
1 1 1 -12 47 6  o 53.96539 17.35953 46.68483       21.63109  -0.5859929     
31.98891  86.50976       29.36164  35.10169 16.65215 71.41174 19.61675 
-36.31005      25.73152 
1 1 1 -12 47 7  o 36.22676 15.72250 14.05220       21.48232  58.84016       
32.51877  -20.62879      28.61536  53.70042 20.83036 29.95282 14.58932 
23.74760       25.43132 
1 1 1 -12 47 8  o 105.0190 11.65045 137.0862       24.46138  107.6742       
36.60416  160.8203       32.88169  73.46098 22.43884 106.7111 15.61484 
-33.25014      27.33724 
1 1 1 -12 47 9  o 28.12006 13.44724 -11.01323      21.72748  -54.31147      
34.48341  17.49411       27.98037  27.73888 13.92671 38.14233 17.16943 
-10.40345      22.10753 
1 1 1 -12 47 10 o 45.56038 17.45151 36.10773       22.61738  24.69537       
35.15456  44.16790       29.54375  40.11064 18.50479 46.86420 19.27435 
-6.753559      26.71942 
1 1 1 -12 47 11 o 33.61354 9.099809 13.73801       6.372537  19.46111       
7.782776  2.095596       11.10045  39.70265 9.718273 25.13521 11.09398 
14.56744       14.74860 
1 1 1 -12 47 12 o 41.94017 19.17198 40.85859       36.56096  40.85859       
36.56096  0.000000       0.000000  41.94017 19.17198 ?        ?        
0.000000       19.17198 
1 1 1 -12 47 13 o 89.12012 9.567602 97.29607       17.06790  88.66609       
19.56244  124.8091       34.92911  80.96237 12.26617 75.59972 21.62790 
5.362656       24.86414 
1 1 1 -12 48 1  o 26.10971 12.38196 -3.690254      17.65538  -2.060333      
27.65688  -4.811343      22.93718  30.13073 14.59874 28.11856 13.54212 
2.012177       19.91262 
1 1 1 -12 48 2  o 39.21503 15.93109 27.39367       19.87440  11.42550       
33.59749  35.98907       24.64974  34.40722 16.52440 41.72938 17.42266 
-7.322159      24.01260 
1 1 1 -12 48 3  o 33.36366 14.70326 13.34547       19.42492  32.72261       
30.21935  -0.2984650     25.35771  40.13609 17.97228 30.86567 14.69534 
9.270414       23.21542 
1 1 1 -12 48 4  o 25.05669 12.14013 -14.35426      19.12412  -9.092912      
28.40449  -18.71679      25.86474  30.41236 14.74928 27.71338 13.57786 
2.698986       20.04744 
1 1 1 -12 48 5  o 39.80250 16.02538 25.83522       19.91585  -11.92132      
30.52964  53.80551       26.27690  30.84948 15.03555 51.52887 19.00665 
-20.67939      24.23470 
1 1 1 -12 48 6  o 66.31721 16.66693 70.09544       22.45043  87.92175       
34.33610  56.78350       29.67160  61.39031 21.84995 50.83488 19.84767 
10.55543       29.51864 
1 1 1 -12 48 7  o 40.73303 16.66874 28.21709       21.95795  15.42489       
33.59621  37.75657       29.01214  36.84156 17.35285 43.24337 18.51371 
-6.401802      25.37477 
1 1 1 -12 48 8  o 29.43586 13.84336 -1.642318      21.23334  11.39390       
32.44899  -11.40416      28.07964  35.62397 16.86264 30.02612 14.58553 
5.597857       22.29543 
1 1 1 -12 48 9  o 31.01170 14.41043 3.801380       21.89758  -12.20879      
33.60703  15.61337       28.86646  31.38648 15.39779 35.76370 16.59355 
-4.377220      22.63709 
1 1 1 -12 48 10 o 29.80565 14.04405 0.3838339      22.04295  -14.83719      
34.66935  10.71208       28.55860  30.91659 15.25857 34.05249 16.02695 
-3.135904      22.12887 
1 1 1 -12 48 11 o 26.43762 9.744965 8.161575       6.905734  9.873874       
7.110171  -20.33661      29.00674  28.29107 9.956419 27.99659 13.84352 
0.2944717      17.05207 
1 1 1 -12 48 12 o 31.30051 11.44593 13.22282       9.499902  12.82666       
15.23387  13.47491       12.15224  31.44950 13.43869 31.47622 12.57260 
-0.2671623E-01 18.40296 
1 1 1 -12 49 1  o 23.50528 11.50861 -12.85829      18.49193  28.85335       
30.73013  -36.53625      23.15304  34.82918 16.46317 22.19597 11.17900 
12.63321       19.89989 
1 1 1 -12 49 2  o 37.95454 15.64921 28.77076       19.53628  24.19132       
29.69281  32.26641       25.94236  34.69747 16.33404 37.40474 16.70749 
-2.707275      23.36538 
1 1 1 -12 49 3  o 26.34885 12.55968 -3.460220      18.63809  1.233041       
29.05108  -6.743306      24.29775  30.56825 14.84584 27.82760 13.52916 
2.740658       20.08574 
1 1 1 -12 49 4  o 22.76544 11.24980 -21.84791      19.05217  -15.27585      
29.06525  -26.79921      25.22803  28.24240 13.94478 25.14949 12.51623 
3.092913       18.73801 
1 1 1 -12 49 5  o 48.64229 16.82448 45.20012       20.25962  43.00339       
32.04322  46.66309       26.14964  40.98448 18.41830 44.76835 18.24025 
-3.783875      25.92182 
1 1 1 -12 49 6  o 38.56990 16.11776 27.76580       21.12206  5.037566       
33.60437  42.60963       27.15725  32.81236 15.94291 42.77676 18.09821 
-9.964409      24.11891 
1 1 1 -12 49 7  o 27.62023 13.14896 -3.136549      20.29195  29.41855       
33.11708  -22.70650      25.67660  37.50125 17.52432 26.14842 12.94660 
11.35283       21.78798 
1 1 1 -12 49 8  o 35.91468 15.97091 22.49571       23.42834  37.77295       
35.22661  10.37845       31.37263  38.92722 18.15138 33.26472 15.97363 
5.662498       24.17911 
1 1 1 -12 49 9  o 29.91541 13.99662 5.263143       21.23532  14.24754       
32.97295  -1.104236      27.75835  33.82767 16.27779 30.17139 14.62015 
3.656277       21.87956 
1 1 1 -12 49 10 o 36.64427 16.16218 26.73523       23.51814  38.62210       
34.65742  16.58968       32.01845  38.12904 17.85274 33.74726 16.18723 
4.381775       24.09869 
1 1 1 -12 49 11 o 31.44498 9.454676 12.88863       6.536205  13.25368       
6.691547  5.298922       30.51154  31.80598 9.567079 31.05139 15.11136 
0.7545929      17.88525 
1 1 1 -12 50 3  o 29.04708 13.45446 9.590367       18.86096  24.94383       
28.45251  -2.445016      25.19111  33.38307 15.79850 27.58797 13.49162 
5.795097       20.77538 
1 1 1 -12 50 4  o 24.86087 12.07982 -7.722709      19.29637  -38.65459      
28.16621  19.63565       26.48929  23.94789 12.09446 32.69047 15.40094 
-8.742586      19.58226 
1 1 1 -12 50 5  o 29.89252 13.73795 10.51474       19.11888  30.42066       
30.03509  -3.045777      24.78997  35.31487 16.56200 27.86164 13.57260 
7.453222       21.41297 
1 1 1 -12 50 6  o 26.05935 12.62883 -5.907753      20.72445  9.014709       
31.61843  -17.14767      27.44110  31.28601 15.25995 26.47424 13.15545 
4.811766       20.14775 
1 1 1 -12 50 7  o 27.74236 13.24584 1.121378       20.91046  31.38874       
32.54951  -20.14804      27.28569  35.40424 16.79619 26.01806 12.95961 
9.386173       21.21470 
1 1 1 -12 50 8  o 35.95839 15.58860 27.03401       21.07092  28.03505       
33.26717  26.36337       27.22915  34.50703 16.53794 34.65745 16.09280 
-0.1504173     23.07556 
1 1 1 -12 50 9  o 38.24196 16.47628 35.33123       23.24776  59.60807       
34.94024  16.04647       31.14131  40.55553 18.61380 32.05952 15.52302 
8.496010       24.23711 
1 1 1 -11 0  1  o 260.8477 5.837821 693.1619       30.93127  693.1619       
30.93127  693.1619       30.93127  260.8477 5.837821 260.8477 5.837821 
0.000000       0.000000 
1 1 1 -11 0  2  o 37.03244 17.95643 20.57337       15.80656  20.57337       
15.80656  20.57337       15.80656  37.03244 17.95643 37.03244 17.95643 
0.000000       0.000000 
1 1 1 -11 0  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -11 0  4  o 470.9515 6.798804 2257.654       65.08129  2257.654       
65.08129  2257.654       65.08129  470.9515 6.798804 470.9515 6.798804 
0.000000       0.000000 
1 1 1 -11 0  5  o 117.6411 7.199986 142.3648       17.07651  142.3648       
17.07651  142.3648       17.07651  117.6411 7.199986 117.6411 7.199986 
0.000000       0.000000 
1 1 1 -11 0  6  o 533.6376 7.359689 2898.735       79.83093  2898.735       
79.83093  2898.735       79.83093  533.6376 7.359689 533.6376 7.359689 
0.000000       0.000000 
1 1 1 -11 0  7  o 49.67646 16.49155 32.23395       14.82551  32.23395       
14.82551  32.23395       14.82551  49.67646 16.49155 49.67646 16.49155 
0.000000       0.000000 
1 1 1 -11 0  8  o 31.05867 16.91149 13.80564       15.11697  13.80564       
15.11697  13.80564       15.11697  31.05867 16.91149 31.05867 16.91149 
0.000000       0.000000 
1 1 1 -11 0  9  o 120.1116 7.789620 148.6351       18.84268  148.6351       
18.84268  148.6351       18.84268  120.1116 7.789620 120.1116 7.789620 
0.000000       0.000000 
1 1 1 -11 0  10 o 382.5405 6.420249 1489.991       49.91198  1489.991       
49.91198  1489.991       49.91198  382.5405 6.420249 382.5405 6.420249 
0.000000       0.000000 
1 1 1 -11 0  11 o 925.5154 11.35581 8730.709       213.6514  8730.709       
213.6514  8730.709       213.6514  925.5154 11.35581 925.5154 11.35581 
0.000000       0.000000 
1 1 1 -11 0  12 o 70.08051 22.57786 63.67589       28.41023  63.67589       
28.41023  63.67589       28.41023  70.08051 22.57786 70.08051 22.57786 
0.000000       0.000000 
1 1 1 -11 0  13 o 254.4662 6.340759 660.2186       32.76521  660.2186       
32.76521  660.2186       32.76521  254.4662 6.340759 254.4662 6.340759 
0.000000       0.000000 
1 1 1 -11 0  14 o 56.18146 22.54258 44.93769       25.03385  44.93769       
25.03385  44.93769       25.03385  56.18146 22.54258 56.18146 22.54258 
0.000000       0.000000 
1 1 1 -11 0  15 o 58.28935 19.24012 44.58164       20.26087  44.58164       
20.26087  44.58164       20.26087  58.28935 19.24012 58.28935 19.24012 
0.000000       0.000000 
1 1 1 -11 0  16 o 132.9548 8.400645 182.4692       22.50480  182.4692       
22.50480  182.4692       22.50480  132.9548 8.400645 132.9548 8.400645 
0.000000       0.000000 
1 1 1 -11 0  17 o 202.3382 7.006543 418.9622       28.75087  418.9622       
28.75087  418.9622       28.75087  202.3382 7.006543 202.3382 7.006543 
0.000000       0.000000 
1 1 1 -11 0  18 o 167.7813 7.583297 289.1298       25.75303  289.1298       
25.75303  289.1298       25.75303  167.7813 7.583297 167.7813 7.583297 
0.000000       0.000000 
1 1 1 -11 0  19 o 296.9076 6.847590 901.2893       41.29415  901.2893       
41.29415  901.2893       41.29415  296.9076 6.847590 296.9076 6.847590 
0.000000       0.000000 
1 1 1 -11 0  20 o 33.91148 19.64387 15.43356       22.07566  15.43356       
22.07566  15.43356       22.07566  33.91148 19.64387 33.91148 19.64387 
0.000000       0.000000 
1 1 1 -11 0  21 o 52.51607 25.42136 44.21275       31.66235  44.21275       
31.66235  44.21275       31.66235  52.51607 25.42136 52.51607 25.42136 
0.000000       0.000000 
1 1 1 -11 0  22 o 44.73939 21.93359 31.86491       23.69214  31.86491       
23.69214  31.86491       23.69214  44.73939 21.93359 44.73939 21.93359 
0.000000       0.000000 
1 1 1 -11 0  23 o 34.09039 20.03012 15.85864       23.48755  15.85864       
23.48755  15.85864       23.48755  34.09039 20.03012 34.09039 20.03012 
0.000000       0.000000 
1 1 1 -11 0  24 o 121.5405 11.56242 158.8409       27.98314  158.8409       
27.98314  158.8409       27.98314  121.5405 11.56242 121.5405 11.56242 
0.000000       0.000000 
1 1 1 -11 0  25 o 18.71298 13.48230 -40.47480      25.60788  -40.47480      
25.60788  -40.47480      25.60788  18.71298 13.48230 18.71298 13.48230 
0.000000       0.000000 
1 1 1 -11 0  26 o 56.08538 23.70863 55.13024       27.33624  55.13024       
27.33624  55.13024       27.33624  56.08538 23.70863 56.08538 23.70863 
0.000000       0.000000 
1 1 1 -11 1  1  o 298.4843 4.146198 906.2647       25.16651  889.7258       
35.11918  923.7228       36.08197  295.6842 5.840700 301.2782 5.889401 
-5.593994      8.294506 
1 1 1 -11 1  2  o 179.4494 6.192354 327.7140       22.59692  327.7140       
22.59692  0.000000       0.000000  179.4494 6.192354 ?        ?        
0.000000       6.192354 
1 1 1 -11 1  3  o 357.0204 4.256788 1296.527       30.90484  1291.844       
43.62260  1301.245       43.78996  356.3038 6.020600 357.5977 6.021829 
-1.293915      8.515284 
1 1 1 -11 1  4  o 449.6734 4.685459 2056.931       42.84506  1938.006       
57.97800  2200.015       63.59492  436.3839 6.533458 464.9348 6.726342 
-28.55087      9.377087 
1 1 1 -11 1  5  o 117.0567 4.986993 139.3931       11.87098  117.0799       
16.47933  163.4605       17.11490  106.9719 7.625557 126.5580 6.673769 
-19.58619      10.13352 
1 1 1 -11 1  6  o 521.1694 5.119185 2763.230       54.25393  2687.067       
75.09898  2846.373       78.46496  513.8002 7.187673 528.8027 7.296770 
-15.00256      10.24234 
1 1 1 -11 1  7  o 357.6925 4.270853 1301.391       31.06532  1330.488       
44.45018  1273.610       43.43346  361.5995 6.044972 353.7863 6.037149 
7.813202       8.543351 
1 1 1 -11 1  8  o 368.4967 4.324991 1381.223       32.40934  1389.405       
45.96938  1373.138       45.69929  369.5119 6.117709 367.3424 6.117683 
2.169464       8.651729 
1 1 1 -11 1  9  o 341.1326 4.289489 1183.723       29.75639  1198.568       
42.40865  1169.328       41.76256  343.1924 6.076665 338.9813 6.058429 
4.211182       8.580817 
1 1 1 -11 1  10 o 827.3702 7.289650 6969.371       122.6473  6993.459       
174.2157  6945.701       172.6933  828.2462 10.34371 825.4250 10.28837 
2.821167       14.58913 
1 1 1 -11 1  11 o 370.7741 5.243988 1398.849       39.53871  1448.173       
49.04306  1307.263       66.82926  377.1844 6.393997 358.1500 9.175934 
19.03439       11.18396 
1 1 1 -11 1  12 o 135.7052 6.628886 187.5096       18.29315  176.1468       
31.81843  193.1198       22.35759  130.7648 12.10291 137.4416 8.034335 
-6.676788      14.52690 
1 1 1 -11 1  13 o 620.3223 5.932326 3917.787       74.83312  3859.262       
104.6836  3978.949       107.0149  615.2624 8.366943 624.7187 8.423809 
-9.456299      11.87292 
1 1 1 -11 1  14 o 166.4376 6.973830 282.3019       23.60339  324.0786       
34.63272  246.0659       32.25449  177.8902 9.609422 154.8438 10.30222 
23.04640       14.08818 
1 1 1 -11 1  15 o 337.3920 4.601038 1158.832       31.56764  1152.258       
44.83344  1165.295       44.45572  336.2226 6.557281 338.1309 6.465339 
-1.908356      9.208612 
1 1 1 -11 1  16 o 48.72640 13.28049 25.22425       13.51917  16.42699       
18.77572  34.69564       19.48182  44.08050 16.09550 57.12311 16.08678 
-13.04261      22.75631 
1 1 1 -11 1  17 o 478.6920 5.217691 2335.021       50.79091  2326.529       
71.46128  2343.690       72.20284  477.3004 7.362538 479.0434 7.411873 
-1.742981      10.44714 
1 1 1 -11 1  18 o 224.1463 4.866688 511.9540       22.18281  504.0921       
31.16538  520.0272       31.58120  222.1747 6.898050 225.6613 6.882086 
-3.486588      9.744035 
1 1 1 -11 1  19 o 93.11742 8.327147 89.48610       15.60167  73.81793       
21.70749  106.2279       22.43886  83.48753 13.22693 100.9859 11.11045 
-17.49837      17.27408 
1 1 1 -11 1  20 o 226.5640 5.147864 523.5343       23.71753  489.8303       
33.19646  558.6775       33.89785  218.7786 7.461659 233.7135 7.132421 
-14.93484      10.32220 
1 1 1 -11 1  21 o 98.38196 12.34185 101.8224       24.14808  97.64868       
35.21796  105.5259       33.17464  94.30188 19.02136 98.74549 17.14285 
-4.443611      25.60644 
1 1 1 -11 1  22 o 132.6258 7.346772 180.7309       19.73683  155.6496       
27.91811  205.7905       27.90607  122.1309 11.37181 141.0002 9.793314 
-18.86935      15.00757 
1 1 1 -11 1  23 o 323.2763 5.328594 1067.425       35.02982  1061.820       
48.91179  1073.327       50.19233  321.7227 7.476192 323.4008 7.632113 
-1.678162      10.68375 
1 1 1 -11 1  24 o 161.5360 9.622290 271.2042       31.46488  271.2042       
31.46488  0.000000       0.000000  161.5360 9.622290 ?        ?        
0.000000       9.622290 
1 1 1 -11 1  25 o 83.61774 11.68347 75.01431       19.32388  65.67864       
26.89100  84.98260       27.78721  75.78682 17.75893 87.14526 16.27875 
-11.35844      24.09102 
1 1 1 -11 1  26 o 83.12971 12.15415 75.49586       19.93926  91.50800       
28.29793  59.70711       28.09986  89.50620 16.14094 70.55360 19.11209 
18.95261       25.01603 
1 1 1 -11 2  1  o 386.2247 4.443467 1517.478       34.89903  1543.751       
49.98233  1492.484       48.75011  389.4532 6.311168 382.9349 6.260359 
6.518311       8.889484 
1 1 1 -11 2  2  o 293.6735 4.098583 877.2491       24.47654  891.1605       
34.83652  863.6861       34.39775  295.9346 5.788788 291.3364 5.806091 
4.598206       8.198826 
1 1 1 -11 2  3  o 354.7799 4.250361 1280.307       30.66453  1354.009       
44.72449  1214.924       42.12458  364.7745 6.029336 345.5336 5.995066 
19.24097       8.502571 
1 1 1 -11 2  4  o 409.2445 4.470181 1703.624       37.20140  1717.651       
52.81368  1689.811       52.41011  410.8376 6.321568 407.4944 6.324729 
3.343231       8.942284 
1 1 1 -11 2  5  o 247.4134 5.543606 622.8016       27.89118  622.8016       
27.89118  0.000000       0.000000  247.4134 5.543606 ?        ?        
0.000000       5.543606 
1 1 1 -11 2  6  o 196.7357 4.060049 393.6750       16.24298  391.3695       
22.84516  396.0320       23.09903  196.1251 5.728088 197.2892 5.757566 
-1.164108      8.121611 
1 1 1 -11 2  7  o 711.5218 6.409218 5151.991       92.73521  5164.013       
131.4379  5140.074       130.8589  712.0406 9.077458 710.3909 9.058459 
1.649719       12.82404 
1 1 1 -11 2  8  o 624.6269 5.817755 3969.922       73.89713  4032.607       
105.8550  3910.333       103.2079  629.3029 8.271805 619.6979 8.189956 
9.604980       11.64037 
1 1 1 -11 2  9  o 591.2019 5.619483 3556.381       67.55907  3562.574       
95.60252  3550.204       95.48350  591.5018 7.948072 590.4736 7.952001 
1.028198       11.24305 
1 1 1 -11 2  10 o 333.7435 4.323364 1133.052       29.34175  1203.400       
42.79461  1070.642       40.30795  343.8675 6.119931 324.3462 6.111255 
19.52127       8.648757 
1 1 1 -11 2  11 o 469.7998 5.748640 2246.196       54.91985  2227.890       
66.72033  2284.662       96.71621  467.7762 7.014046 473.3575 10.04751 
-5.581238      12.25355 
1 1 1 -11 2  12 o 299.5993 5.130692 913.4214       31.25851  920.8936       
55.35915  909.9240       37.87391  300.5529 9.057683 298.9651 6.229715 
1.587738       10.99322 
1 1 1 -11 2  13 o 163.3489 5.271163 271.5935       17.50951  265.2792       
24.72374  277.9472       24.80081  161.3486 7.535245 165.1634 7.384153 
-3.814728      10.55015 
1 1 1 -11 2  14 o 115.0620 7.537254 135.5482       17.53839  126.0065       
22.16672  151.5195       28.67847  110.6218 9.960749 121.1139 11.79386 
-10.49207      15.43734 
1 1 1 -11 2  15 f 106.2609 6.930190 115.6129       14.89313  141.3618       
21.68784  92.63542       20.48750  117.2729 9.167161 94.51968 10.85599 
22.75327       14.20878 
1 1 1 -11 2  16 o 136.1435 5.982591 188.9277       16.56295  182.3249       
23.27016  195.7075       23.58002  133.2899 8.631563 138.1417 8.434390 
-4.851776      12.06826 
1 1 1 -11 2  17 o 199.8743 4.987700 407.0190       20.27257  388.7933       
28.38894  425.9839       28.95903  195.1395 7.154061 204.2810 6.971154 
-9.141479      9.988873 
1 1 1 -11 2  18 o 77.68028 9.539937 62.77497       14.75307  34.45579       
20.19502  95.18409       21.60417  56.88025 16.49622 95.54156 11.34120 
-38.66132      20.01870 
1 1 1 -11 2  19 o 309.5247 4.866482 976.5128       30.63105  1036.884       
44.17093  920.5855       42.51424  318.5733 6.818296 300.1448 6.965497 
18.42844       9.747169 
1 1 1 -11 2  20 f 112.5913 7.779008 130.4128       17.70146  117.3019       
25.27003  143.0443       24.80376  105.8903 11.94409 117.4044 10.50003 
-11.51408      15.90320 
1 1 1 -11 2  21 o 108.0172 11.22509 121.8063       24.29655  145.3802       
36.70940  103.4292       32.41158  116.7150 15.87894 97.80866 16.90728 
18.90634       23.19476 
1 1 1 -11 2  22 o 175.0521 6.084463 313.1842       21.65913  302.3316       
30.60255  324.0767       30.65880  171.2889 8.815607 177.6379 8.487271 
-6.349030      12.23719 
1 1 1 -11 2  23 o 75.59210 12.40022 60.96628       18.40036  87.59370       
26.61045  36.57039       25.47100  90.10728 15.05356 58.65941 18.83408 
31.44788       24.11083 
1 1 1 -11 2  24 o 105.5177 9.162173 115.9668       19.46447  101.9974       
27.00263  131.0763       28.08299  97.33775 14.04850 111.0906 12.65722 
-13.75288      18.90940 
1 1 1 -11 2  25 o 54.76987 16.21265 33.45450       19.33087  45.97729       
27.09636  20.47488       27.58618  63.39362 19.29311 49.41845 19.18107 
13.97517       27.20547 
1 1 1 -11 2  26 o 68.78134 14.42442 53.53191       19.53099  71.29704       
28.12376  36.98269       27.14425  77.66520 18.13600 56.91827 19.48496 
20.74693       26.61913 
1 1 1 -11 3  1  o 353.4899 4.996111 1271.330       35.91373  1313.694       
44.65302  1193.726       60.43593  359.2731 6.111879 342.3062 8.682184 
16.96689       10.61769 
1 1 1 -11 3  2  o 172.9937 4.426817 304.4282       15.57304  303.4729       
21.55594  305.4711       22.52308  172.6848 6.138487 173.2458 6.393131 
-0.5609741     8.863021 
1 1 1 -11 3  3  o 81.41378 7.027668 67.96935       11.52081  54.24738       
16.11530  82.31332       16.47649  72.06799 11.37349 89.42171 9.191716 
-17.35372      14.62340 
1 1 1 -11 3  4  o 182.2704 4.158289 337.9222       15.41283  348.6876       
21.75823  327.0797       21.83605  185.1187 5.779921 179.2863 5.989291 
5.832352       8.323406 
1 1 1 -11 3  5  o 704.0803 6.337119 5044.720       90.73304  5068.172       
128.8164  5021.629       127.8212  705.4111 8.980024 702.1684 8.951794 
3.242737       12.67973 
1 1 1 -11 3  6  o 408.1356 4.482646 1694.397       37.20406  1681.886       
52.23830  1707.275       52.99891  406.5407 6.318785 409.5953 6.362980 
-3.054565      8.967417 
1 1 1 -11 3  7  o 490.0857 4.957309 2443.394       49.40484  2543.276       
71.90988  2354.097       67.99255  499.8665 7.074294 480.9251 6.952364 
18.94144       9.918719 
1 1 1 -11 3  8  o 331.5328 4.228592 1118.008       28.50846  1139.935       
40.65842  1096.802       39.98414  334.7028 5.973651 328.3089 5.988992 
6.393890       8.458873 
1 1 1 -11 3  9  o 406.0807 4.563922 1677.477       37.68790  1660.956       
52.89090  1694.518       53.71618  403.9792 6.438289 408.0381 6.473706 
-4.058868      9.130194 
1 1 1 -11 3  10 o 679.9758 6.241701 4705.829       86.30737  4743.751       
122.9174  4668.950       121.2145  682.3696 8.858131 676.9763 8.805009 
5.393311       12.48978 
1 1 1 -11 3  11 o 313.9971 5.082275 1003.206       32.45153  1026.318       
39.94150  958.3183       55.66361  317.5376 6.185543 306.6583 8.926171 
10.87930       10.85990 
1 1 1 -11 3  12 o 292.5711 5.120553 871.0756       30.46490  985.6533       
56.26603  823.5546       36.23594  310.9501 8.898240 284.4182 6.265140 
26.53195       10.88258 
1 1 1 -11 3  13 o 215.5095 5.312236 472.7529       23.28065  414.1291       
38.46495  506.6422       29.24556  201.4690 9.388700 223.0419 6.447958 
-21.57286      11.38964 
1 1 1 -11 3  14 o 300.1052 4.569630 916.6495       27.88727  891.3226       
38.62210  944.2372       40.30907  295.7860 6.421063 304.4308 6.511227 
-8.644775      9.144732 
1 1 1 -11 3  15 o 71.94408 9.823002 53.88955       13.99557  21.97937       
19.62262  86.93072       19.96733  48.21371 16.56460 91.50470 10.94801 
-43.29099      19.85560 
1 1 1 -11 3  16 o 165.8314 5.301477 280.1637       17.87784  251.8783       
24.75060  311.0212       25.85147  157.0616 7.749332 174.5728 7.282113 
-17.51114      10.63397 
1 1 1 -11 3  17 o 102.8061 7.279544 108.4650       15.12020  109.1161       
20.99182  107.7630       21.79729  102.6646 10.18950 101.9326 10.67399 
0.7320480      14.75669 
1 1 1 -11 3  18 o 56.59436 12.55882 34.31045       14.07590  29.17279       
19.58969  39.79425       20.23885  52.95931 16.45524 60.75358 16.11676 
-7.794270      23.03313 
1 1 1 -11 3  19 o 66.80724 12.97426 47.68713       16.99077  53.93095       
20.23997  32.78669       31.26685  70.81897 14.54121 58.85374 20.86083 
11.96523       25.42875 
1 1 1 -11 3  20 o 125.9522 8.162276 163.2324       20.79335  116.4777       
36.05531  186.5318       25.45239  103.8317 17.71151 134.4346 9.368923 
-30.60285      20.03682 
1 1 1 -11 3  21 o 131.4223 8.307012 177.8859       22.08639  185.2708       
37.60658  173.9975       27.28841  132.5637 14.16994 129.4905 10.45215 
3.073227       17.60780 
1 1 1 -11 3  22 o 123.9091 7.664820 157.9857       19.21847  148.6842       
27.38353  167.0143       26.97902  119.3199 11.42530 126.7544 10.56293 
-7.434517      15.55998 
1 1 1 -11 3  23 o 198.3608 5.953237 402.3653       24.01377  415.1272       
34.07301  389.7704       33.84929  200.9307 8.338978 194.6413 8.551911 
6.289429       11.94461 
1 1 1 -11 3  24 o 170.5196 6.466424 298.1964       22.42280  276.3221       
32.34417  318.4370       31.11293  162.9664 9.805573 175.6001 8.712937 
-12.63373      13.11734 
1 1 1 -11 3  25 o 56.80972 17.10461 36.19505       21.38159  26.10331       
25.76188  58.53703       38.33147  51.52316 18.84748 70.56435 23.13889 
-19.04119      29.84352 
1 1 1 -11 3  26 o 75.73158 13.10567 63.61061       19.45243  94.82139       
28.68160  37.02559       26.47095  91.13603 16.06304 56.82896 19.24281 
34.30707       25.06606 
1 1 1 -11 4  1  o 264.3928 4.161809 711.0831       22.37604  657.9171       
30.84912  770.1089       32.50475  254.2551 5.966527 275.0874 5.810649 
-20.83231      8.328451 
1 1 1 -11 4  2  o 123.1866 5.286832 154.3985       13.24374  165.8306       
19.13069  143.8775       18.35248  127.4086 7.415883 118.6260 7.648635 
8.782600       10.65349 
1 1 1 -11 4  3  o 311.9152 4.152740 989.6123       26.34042  907.4189       
35.48756  1090.448       39.30643  298.6237 5.843868 327.3552 5.904634 
-28.73148      8.307557 
1 1 1 -11 4  4  o 1298.685 12.51784 17207.67       330.5861  16768.33       
394.4634  18244.36       605.9465  1280.981 15.14303 1332.229 22.36680 
-51.24841      27.01083 
1 1 1 -11 4  5  o 372.7305 4.983597 1413.331       37.77368  1417.763       
46.15506  1404.341       65.73482  373.2657 6.080647 371.3394 8.705084 
1.926239       10.61851 
1 1 1 -11 4  6  o 421.8019 5.259957 1810.073       45.11720  1857.038       
55.96798  1722.915       76.24435  427.1756 6.442905 411.2773 9.116363 
15.89838       11.16329 
1 1 1 -11 4  7  o 558.6302 5.379111 3174.990       61.10636  3340.414       
89.69634  3031.722       83.47369  572.8103 7.700386 545.7178 7.521943 
27.09247       10.76455 
1 1 1 -11 4  8  o 689.1616 6.262236 4833.295       87.76107  4864.788       
124.8161  4802.502       123.4214  691.0977 8.881367 686.6650 8.838817 
4.432678       12.53010 
1 1 1 -11 4  9  o 599.5286 5.682364 3657.404       69.27721  3550.534       
95.61726  3775.495       100.5114  590.4872 7.962956 608.8886 8.117570 
-18.40137      11.37117 
1 1 1 -11 4  10 o 283.5614 4.863822 818.0508       28.04634  846.5896       
34.86642  765.7319       47.20839  288.4218 5.944672 274.1743 8.467221 
14.24744       10.34567 
1 1 1 -11 4  11 o 870.7169 8.803630 7725.819       155.8799  7673.061       
189.6852  7835.556       273.5686  867.2629 10.75552 874.8815 15.37679 
-7.618652      18.76504 
1 1 1 -11 4  12 o 144.5411 5.466473 212.6358       16.06756  202.8650       
23.16143  221.7002       22.30848  140.8638 8.120054 147.3377 7.470116 
-6.473846      11.03349 
1 1 1 -11 4  13 o 214.2921 5.421242 467.4595       23.62416  418.0407       
40.41468  493.1100       29.11667  202.3775 9.820314 220.0359 6.507236 
-17.65842      11.78061 
1 1 1 -11 4  14 o 330.5601 4.565911 1112.153       30.69229  1138.091       
44.00985  1087.594       42.82529  334.2204 6.475383 326.7247 6.445653 
7.495728       9.136577 
1 1 1 -11 4  15 o 281.4816 4.569013 806.6071       26.15314  796.9224       
37.03683  816.2390       36.93562  279.6071 6.513797 282.9859 6.418434 
-3.378784      9.144716 
1 1 1 -11 4  16 o 28.58102 12.43250 -2.273105      13.49344  -29.82331      
18.94321  26.10319       19.22511  25.28215 12.20884 50.81193 16.36781 
-25.52977      20.41962 
1 1 1 -11 4  17 o 245.6629 4.715432 614.7564       23.55659  629.5193       
33.21174  599.8102       33.41731  248.3786 6.575459 242.4196 6.778793 
5.959015       9.443976 
1 1 1 -11 4  18 o 238.0079 4.797870 577.2241       23.22156  575.1911       
32.49919  579.3447       33.19227  237.3397 6.733652 238.1770 6.853078 
-0.8372955     9.607639 
1 1 1 -11 4  19 o 63.35072 14.18847 43.25721       17.82415  68.17709       
21.87328  -5.996570      30.75111  79.97437 13.95741 42.30870 18.57672 
37.66568       23.23583 
1 1 1 -11 4  20 o 59.50528 14.91432 38.36970       18.01190  56.66415       
32.83173  30.49273       21.54336  71.95730 21.08083 54.19574 17.31283 
17.76156       27.27885 
1 1 1 -11 4  21 o 108.8655 8.260582 122.2682       18.15109  131.0810       
26.65746  114.6507       24.78386  111.9078 11.89647 104.5894 11.86260 
7.318382       16.80022 
1 1 1 -11 4  22 o 77.41075 11.86842 63.48657       18.08702  75.39389       
25.65411  51.71784       25.50438  83.42526 15.69806 68.51452 18.05251 
14.91074       23.92326 
1 1 1 -11 4  23 o 44.31372 15.81528 18.22601       18.00061  -4.407885      
25.50199  40.69985       25.41167  38.52142 16.91537 61.19341 18.69691 
-22.67199      25.21317 
1 1 1 -11 4  24 o 30.56270 13.68863 -6.615569      17.54141  -5.936968      
25.78800  -7.199936      23.93060  37.95588 16.82300 36.05159 16.07893 
1.904293       23.27113 
1 1 1 -11 4  25 o 47.57309 16.93592 22.59484       20.62961  32.85850       
25.27985  2.134794       35.69248  55.17845 18.80431 46.49640 20.22286 
8.682045       27.61460 
1 1 1 -11 4  26 f 67.70380 14.47842 52.01763       19.33012  64.93765       
27.97601  40.21429       26.73971  73.69176 18.65206 58.66904 19.33030 
15.02273       26.86187 
1 1 1 -11 5  1  o 408.1699 4.533567 1694.907       37.62985  1685.473       
53.15157  1704.387       53.28196  406.9180 6.423295 409.1962 6.403202 
-2.278229      9.069714 
1 1 1 -11 5  2  f 340.5348 5.945982 1180.117       41.17527  1180.117       
41.17527  0.000000       0.000000  340.5348 5.945982 ?        ?        
0.000000       5.945982 
1 1 1 -11 5  3  o 398.6875 4.445223 1616.910       36.03941  1638.741       
51.40907  1595.814       50.53696  401.2771 6.300049 395.9879 6.275896 
5.289154       8.892552 
1 1 1 -11 5  4  o 436.4897 4.629633 1938.106       41.09339  1830.253       
55.87241  2065.196       60.65089  424.0734 6.478956 450.4609 6.621078 
-26.38751      9.263667 
1 1 1 -11 5  5  f 523.8912 5.139449 2792.254       54.75314  2633.555       
73.96989  2984.588       81.43215  508.6479 7.151323 541.4661 7.395596 
-32.81827      10.28767 
1 1 1 -11 5  6  f 503.5370 5.017716 2579.423       51.37938  2526.032       
71.49078  2636.459       73.89153  498.1648 7.057088 508.9305 7.139778 
-10.76569      10.03887 
1 1 1 -11 5  7  o 362.9167 4.312696 1339.718       31.82784  1330.733       
44.72639  1348.935       45.30185  361.6245 6.082115 364.0875 6.118693 
-2.463043      8.627314 
1 1 1 -11 5  8  o 283.2948 4.160403 816.3381       23.96765  782.7482       
33.01695  853.7566       34.84787  277.3517 5.854026 289.6564 5.916184 
-12.30475      8.322911 
1 1 1 -11 5  9  f 611.3121 6.660464 3803.763       82.79782  3849.400       
102.1910  3716.554       141.2649  614.8016 8.173843 603.6214 11.50848 
11.18024       14.11584 
1 1 1 -11 5  10 o 753.2655 9.552412 5783.109       146.3230  5783.109       
146.3230  0.000000       0.000000  753.2655 9.552412 ?        ?        
0.000000       9.552412 
1 1 1 -11 5  11 o 567.2576 6.385583 3275.707       73.66010  3284.980       
90.48219  3257.484       126.8368  567.8873 7.835188 565.0022 11.03936 
2.885132       13.53726 
1 1 1 -11 5  12 o 366.3350 5.253964 1365.803       39.13965  1375.635       
48.29506  1346.988       66.80959  367.5623 6.461306 363.4671 9.039038 
4.095215       11.11093 
1 1 1 -11 5  13 o 412.8142 9.411374 1739.037       79.00581  0.000000       
0.000000  1739.037       79.00581  ?        ?        412.8142 9.411374 
0.000000       9.411374 
1 1 1 -11 5  14 o 60.06943 11.48973 38.15049       13.52365  21.93239       
19.03925  54.66522       19.21258  47.96898 16.31919 71.82689 13.65274 
-23.85791      21.27706 
1 1 1 -11 5  15 o 52.51894 13.70117 29.40755       14.78636  36.23513       
18.87324  18.55607       23.79346  58.26606 15.61280 48.31108 18.03309 
9.954979       23.85271 
1 1 1 -11 5  16 o 210.5280 4.854892 451.4229       20.78457  426.4661       
29.23684  476.9229       29.55335  204.4342 7.032754 216.2234 6.721292 
-11.78918      9.728072 
1 1 1 -11 5  17 o 48.16966 13.26309 24.68454       13.40368  19.36203       
18.57480  30.46713       19.36098  45.79973 16.09446 53.89622 16.28736 
-8.096493      22.89781 
1 1 1 -11 5  18 o 93.37913 8.095024 89.86967       15.21953  83.28178       
21.23831  96.82391       21.82083  89.11976 12.02623 96.35303 11.35467 
-7.233269      16.53961 
1 1 1 -11 5  19 o 56.62593 20.69045 28.60218       31.03370  0.000000       
0.000000  28.60218       31.03370  ?        ?        56.62593 20.69045 
0.000000       20.69045 
1 1 1 -11 5  20 o 151.3541 7.098265 234.3387       21.84730  291.3227       
39.33622  208.9201       26.27191  167.5261 11.61852 142.3467 9.124004 
25.17938       14.77286 
1 1 1 -11 5  21 o 122.3958 7.576085 154.0582       18.76387  145.0519       
27.09786  162.3546       26.00793  117.8895 11.44772 125.0716 10.31786 
-7.182182      15.41131 
1 1 1 -11 5  22 o 88.34300 10.17734 81.54371       17.94916  82.53843       
25.95188  80.63153       24.85174  87.54388 15.12475 86.65115 14.62422 
0.8927231      21.03868 
1 1 1 -11 5  23 o 42.80800 15.52421 16.44904       17.42352  10.05952       
24.73636  22.74055       24.54591  43.82945 17.78481 50.16828 18.39040 
-6.338829      25.58332 
1 1 1 -11 5  24 o 125.2505 8.196927 162.4466       20.76250  135.4834       
29.58372  188.6186       29.14639  112.6998 13.15619 134.1541 10.77479 
-21.45438      17.00533 
1 1 1 -11 5  25 o 54.38860 17.49425 32.65625       21.96846  -3.430060      
26.97226  103.7729       37.86446  39.20064 17.29808 94.07663 20.38155 
-54.87599      26.73259 
1 1 1 -11 5  26 o 52.17342 16.29226 31.00422       19.17655  61.26507       
27.92434  3.996112       26.38089  71.35189 18.93247 40.78307 17.56134 
30.56882       25.82323 
1 1 1 -11 6  1  o 104.4623 7.086329 111.6190       14.96428  106.4383       
19.12716  119.7935       24.02628  101.7646 9.347252 107.7909 11.12083 
-6.026321      14.52736 
1 1 1 -11 6  2  o 273.2994 4.083752 759.7719       22.69600  723.9879       
31.55156  798.1418       32.67174  266.7275 5.817035 280.0576 5.736850 
-13.33005      8.170027 
1 1 1 -11 6  3  o 395.4912 4.448190 1591.109       35.77434  1622.024       
51.21719  1561.657       49.99023  399.2198 6.308881 391.7224 6.275600 
7.497345       8.898603 
1 1 1 -11 6  4  o 1001.928 8.539774 10223.93       173.9940  9995.543       
240.7376  10473.71       251.7618  989.8828 11.95938 1013.210 12.21909 
-23.32764      17.09775 
1 1 1 -11 6  5  o 138.4207 4.626768 194.9090       13.02358  200.7219       
18.52665  189.2303       18.31147  140.4372 6.487291 136.3555 6.603880 
4.081665       9.257223 
1 1 1 -11 6  6  o 41.41595 11.52138 17.99653       10.05722  22.46348       
14.41812  13.76340       14.03569  46.71346 14.04158 39.48177 13.97865 
7.231682       19.81334 
1 1 1 -11 6  7  o 578.5486 5.511291 3405.638       64.84024  3224.127       
87.68427  3624.655       96.31860  562.7404 7.662354 596.6426 7.938610 
-33.90222      11.03328 
1 1 1 -11 6  8  o 542.0227 5.293933 2989.105       58.35088  3004.822       
82.79229  2973.593       82.25156  543.2671 7.494196 540.4376 7.484231 
2.829529       10.59135 
1 1 1 -11 6  9  o 404.5771 5.255251 1665.415       43.23606  1650.269       
52.75696  1696.396       75.45139  402.6634 6.442970 408.0432 9.093051 
-5.379791      11.14430 
1 1 1 -11 6  10 o 335.4167 5.005195 1144.684       34.13950  1189.083       
42.83638  1067.386       56.52113  341.7998 6.162962 323.6803 8.587034 
18.11954       10.56973 
1 1 1 -11 6  11 o 146.1499 5.359581 217.3689       15.92871  225.1215       
23.01935  210.2464       22.06419  148.4697 7.650372 143.4728 7.589522 
4.996948       10.77632 
1 1 1 -11 6  12 o 88.84591 7.679827 81.02367       13.73881  75.18237       
19.66226  86.59648       19.20504  85.00163 11.68405 91.51440 10.51061 
-6.512772      15.71591 
1 1 1 -11 6  13 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -11 6  14 o 58.03322 11.93508 35.74534       13.61465  53.62448       
19.98992  20.27634       18.59383  71.00250 14.33860 46.61929 16.11835 
24.38321       21.57306 
1 1 1 -11 6  15 f 89.99928 8.915970 83.56590       16.10301  96.59747       
20.77012  63.92990       25.49571  96.53561 10.76361 77.18118 16.72727 
19.35443       19.89112 
1 1 1 -11 6  16 o 106.1021 7.744301 115.5780       16.59386  118.8123       
20.88715  110.0435       27.32283  107.2990 9.676768 102.5110 13.43005 
4.788010       16.55313 
1 1 1 -11 6  17 o 141.2194 6.624306 203.5392       19.02331  187.8276       
23.30564  234.9064       32.92976  135.2306 8.518435 150.8660 10.80516 
-15.63535      13.75919 
1 1 1 -11 6  18 o 247.0503 5.477710 622.3769       27.51920  611.1562       
33.87685  644.1468       47.18679  244.6197 6.810205 250.6602 9.257285 
-6.040543      11.49244 
1 1 1 -11 6  19 o 327.0137 6.796231 1092.768       45.19449  1092.768       
45.19449  0.000000       0.000000  327.0137 6.796231 ?        ?        
0.000000       6.796231 
1 1 1 -11 6  20 o 166.3854 8.523618 284.7130       28.74288  300.6982       
44.65950  273.4094       37.55463  169.7427 13.03774 162.2978 11.45237 
7.444824       17.35337 
1 1 1 -11 6  21 o 66.98656 14.27218 48.55488       18.84652  19.37019       
23.82200  97.38353       30.81328  48.20709 18.03413 94.88914 16.57177 
-46.68204      24.49191 
1 1 1 -11 6  22 o 80.93457 13.13778 69.87862       20.88114  62.34598       
26.78891  81.54100       33.33303  75.17216 17.79968 85.63956 19.56824 
-10.46739      26.45268 
1 1 1 -11 6  23 o 177.0141 7.035866 321.2664       25.32659  334.9483       
32.63595  300.5520       40.15686  180.2941 8.901501 169.5915 11.71589 
10.70261       14.71390 
1 1 1 -11 6  24 o 133.6156 8.719694 185.2689       23.56256  192.0432       
30.47653  175.2024       37.15096  135.1798 11.18724 127.6428 14.57400 
7.536972       18.37269 
1 1 1 -11 6  25 o 128.7242 12.01072 177.0410       31.07671  177.0410       
31.07671  0.000000       0.000000  128.7242 12.01072 ?        ?        
0.000000       12.01072 
1 1 1 -11 6  26 o 84.31520 14.45839 80.06461       23.89772  40.24674       
28.94611  165.3047       42.35193  58.68657 20.12112 119.0155 18.06690 
-60.32895      27.04205 
1 1 1 -11 7  1  o 481.8323 5.662130 2362.735       55.47881  2288.385       
66.76144  2528.658       99.73335  474.0820 6.925017 497.9976 9.848310 
-23.91559      12.03931 
1 1 1 -11 7  2  o 432.2041 5.402782 1900.784       47.48514  1853.809       
81.81155  1924.649       58.31288  426.4948 9.432993 434.8271 6.594721 
-8.332336      11.50963 
1 1 1 -11 7  3  o 657.0031 12.15744 4404.861       162.4280  4404.861       
162.4280  0.000000       0.000000  657.0031 12.15744 ?        ?        
0.000000       12.15744 
1 1 1 -11 7  4  o 149.8700 5.456971 228.5361       16.63098  223.0507       
29.82130  231.0122       20.03609  147.6026 9.994201 150.6567 6.539930 
-3.054092      11.94382 
1 1 1 -11 7  5  o 351.1542 4.251299 1254.289       30.35784  1303.502       
44.01860  1209.650       41.92297  357.9007 6.048146 344.7789 5.979433 
13.12180       8.504921 
1 1 1 -11 7  6  o 388.5564 4.400469 1535.755       34.76998  1550.775       
49.51284  1521.142       48.83845  390.3646 6.237291 386.6184 6.211950 
3.746216       8.802961 
1 1 1 -11 7  7  o 409.4567 4.523911 1705.470       37.66808  1751.414       
54.22260  1662.616       52.36726  414.8348 6.427672 404.1853 6.371299 
10.64954       9.050327 
1 1 1 -11 7  8  o 396.3148 4.490786 1597.767       36.19212  1606.664       
51.26320  1588.925       51.10395  397.3203 6.344737 395.1199 6.360250 
2.200378       8.983789 
1 1 1 -11 7  9  o 329.9973 4.916183 1107.930       32.99058  1107.628       
40.56245  1108.521       56.70381  329.8997 6.046314 329.8849 8.452759 
0.1489258E-01  10.39264 
1 1 1 -11 7  10 o 104.1899 6.415544 110.9209       13.52676  91.15135       
18.70668  132.5857       19.58285  94.03283 9.933208 113.7586 8.527302 
-19.72574      13.09135 
1 1 1 -11 7  11 o 466.8773 4.947880 2218.003       46.97570  2274.775       
67.70102  2165.292       65.23495  472.6273 7.044092 461.1224 6.956851 
11.50485       9.900353 
1 1 1 -11 7  12 o 505.8063 5.976318 2604.697       61.47088  2636.913       
107.2076  2588.917       75.02959  508.2577 10.37266 504.1075 7.319106 
4.150238       12.69494 
1 1 1 -11 7  13 o 493.7585 5.997620 2482.775       60.22058  2566.463       
108.1051  2445.121       72.51341  501.1693 10.60743 489.8167 7.280032 
11.35257       12.86532 
1 1 1 -11 7  14 o 258.0435 4.503166 677.7623       23.62992  641.5296       
33.26211  714.6813       33.57560  250.9027 6.519182 264.8471 6.234149 
-13.94441      9.020220 
1 1 1 -11 7  15 o 377.3596 5.409260 1450.611       41.50924  1413.280       
50.60197  1527.410       72.57861  372.2876 6.684014 386.5240 9.233807 
-14.23636      11.39909 
1 1 1 -11 7  16 o 145.1861 5.624712 214.8411       16.60645  201.5141       
23.40328  228.3561       23.56771  140.1783 8.246351 149.3179 7.788637 
-9.139664      11.34307 
1 1 1 -11 7  17 o 287.2341 4.635523 840.4540       27.07611  875.0071       
38.99752  808.2949       37.62229  292.8040 6.549507 281.4167 6.574215 
11.38727       9.279889 
1 1 1 -11 7  18 o 208.4687 4.997679 442.9692       21.18657  461.5612       
31.01626  426.7057       29.00903  212.5210 7.176888 204.3671 6.980248 
8.153931       10.01157 
1 1 1 -11 7  19 o 142.5308 7.361572 208.3401       21.26402  229.8390       
26.20599  166.9031       36.38195  149.4857 8.657908 125.9007 14.47369 
23.58505       16.86556 
1 1 1 -11 7  20 o 315.6507 5.722101 1017.199       36.72939  1055.431       
65.10230  999.3474       44.48532  320.1933 9.998451 312.5534 6.999083 
7.639893       12.20476 
1 1 1 -11 7  21 o 91.00035 9.813324 86.25656       17.87244  54.64209       
24.93623  119.6518       25.62891  70.50272 17.47969 106.7981 12.00918 
-36.29536      21.20755 
1 1 1 -11 7  22 o 97.89491 9.336208 99.55325       18.36057  112.4312       
26.77613  88.12433       25.22479  103.1084 13.06332 90.79409 14.12102 
12.31435       19.23677 
1 1 1 -11 7  23 o 100.4387 9.527150 105.0699       19.22596  134.5178       
27.95084  78.62503       26.48737  112.9130 12.37583 84.86573 15.93326 
28.04726       20.17498 
1 1 1 -11 7  24 o 149.3643 7.111859 229.3967       21.60137  238.8644       
31.60933  221.1009       29.58858  151.1501 10.34607 145.5058 10.06161 
5.644302       14.43181 
1 1 1 -11 7  25 o 94.86989 12.32635 97.12973       23.21828  159.4098       
29.55290  -3.306771      37.52937  121.9954 12.07095 45.69358 20.27152 
76.30186       23.59327 
1 1 1 -11 7  26 o 27.70212 13.27456 -26.10801      21.41524  -63.76709      
36.92384  -7.018994      26.28838  32.51027 15.98740 36.83338 16.60541 
-4.323112      23.05074 
1 1 1 -11 8  1  o 84.12624 8.316120 72.80878       14.04041  72.39560       
18.29043  73.40156       21.90784  83.51034 11.04115 83.72585 13.31303 
-0.2155075     17.29577 
1 1 1 -11 8  2  o 263.1368 4.670031 704.4395       24.98922  680.4656       
30.63865  752.0767       43.18908  258.5775 5.826765 271.7426 7.815644 
-13.16507      9.748614 
1 1 1 -11 8  3  o 403.6165 4.490643 1657.230       36.85776  1644.457       
51.82479  1670.303       52.42996  401.9554 6.340278 405.1003 6.364519 
-3.144867      8.983665 
1 1 1 -11 8  4  o 720.4608 9.142905 5288.418       133.9510  0.000000       
0.000000  5288.418       133.9510  ?        ?        720.4608 9.142905 
0.000000       9.142905 
1 1 1 -11 8  5  o 638.4912 5.891131 4148.485       76.49007  4259.324       
110.5446  4046.672       105.9483  646.6884 8.406034 630.3558 8.265265 
16.33252       11.78881 
1 1 1 -11 8  6  o 369.4874 4.336768 1388.718       32.58496  1373.375       
45.98996  1404.186       46.17479  367.3575 6.156342 371.4577 6.112856 
-4.100220      8.675687 
1 1 1 -11 8  7  o 469.5718 5.631582 2243.662       53.77542  2243.214       
94.37374  2243.877       65.43821  469.1513 9.892060 469.5081 6.853886 
-0.3567505     12.03448 
1 1 1 -11 8  8  o 434.4430 6.621227 1921.162       58.49553  1848.868       
81.95730  1996.231       83.51503  425.9467 9.461955 442.6154 9.278691 
-16.66861      13.25227 
1 1 1 -11 8  9  o 583.3043 7.919078 3465.283       93.93365  3406.904       
132.1384  3524.923       133.5575  577.8791 11.24451 587.8156 11.17315 
-9.936523      15.85176 
1 1 1 -11 8  10 o 123.3978 6.615460 155.4648       16.53995  182.9376       
30.79983  144.3314       19.60701  133.3921 11.46591 118.7481 8.169272 
14.64402       14.07850 
1 1 1 -11 8  11 o 449.5986 5.662063 2057.447       51.76677  2147.330       
94.05047  2018.380       62.00420  458.7909 10.08079 445.2013 6.848782 
13.58966       12.18721 
1 1 1 -11 8  12 o 161.0937 5.712192 264.1919       18.71254  338.5740       
34.38597  232.8960       22.30442  181.9417 9.325228 151.1939 7.254463 
30.74786       11.81470 
1 1 1 -11 8  13 o 507.5348 6.084679 2623.563       62.79931  2602.864       
108.9844  2633.852       76.83822  504.6522 10.61991 508.3164 7.433472 
-3.664246      12.96299 
1 1 1 -11 8  14 f 360.3663 4.624931 1321.982       33.89228  1316.911       
48.02182  1327.014       47.84055  359.4576 6.569609 360.8403 6.519732 
-1.382721      9.255629 
1 1 1 -11 8  15 o 87.84123 9.156277 79.73357       16.11529  64.08659       
20.38310  105.8208       26.31900  77.87170 13.35240 100.6098 13.18111 
-22.73810      18.76241 
1 1 1 -11 8  16 o 244.8625 4.618907 610.6493       22.99921  597.6141       
32.28957  624.0731       32.76728  242.0293 6.560588 247.3349 6.514836 
-5.305603      9.245778 
1 1 1 -11 8  17 o 228.8659 4.783978 533.6778       22.26495  535.9771       
31.64439  531.4236       31.33270  229.1188 6.791795 228.1488 6.753488 
0.9699860      9.578000 
1 1 1 -11 8  18 o 174.9752 5.379217 312.2061       19.14022  337.0211       
27.35957  288.4201       26.78627  181.5588 7.410379 167.9024 7.845195 
13.65640       10.79170 
1 1 1 -11 8  19 o 145.0539 6.204327 214.8660       18.30103  236.1949       
25.59038  192.5379       26.18291  151.5954 8.333158 136.5966 9.484770 
14.99878       12.62547 
1 1 1 -11 8  20 o 88.24913 13.14136 82.56331       22.86372  0.000000       
0.000000  82.56331       22.86372  ?        ?        88.24913 13.14136 
0.000000       13.14136 
1 1 1 -11 8  21 o 34.80803 14.34544 4.331803       16.40761  34.84838       
23.81443  -23.24411      22.63796  57.43074 18.18734 30.34091 14.27679 
27.08983       23.12155 
1 1 1 -11 8  22 o 120.1979 8.104139 149.0014       19.69303  139.9414       
27.38378  158.7060       28.34119  115.5445 11.82092 123.2299 11.44020 
-7.685402      16.45030 
1 1 1 -11 8  23 o 181.2020 6.286812 336.1929       23.16567  337.9724       
33.37414  334.5385       32.18085  180.7705 9.108107 180.1581 8.784000 
0.6124268      12.65371 
1 1 1 -11 8  24 o 74.19070 13.03239 59.64968       18.94443  60.94389       
27.40319  58.46491       26.21897  73.25394 18.41577 71.86489 17.98423 
1.389053       25.74050 
1 1 1 -11 8  25 o 145.8981 8.698218 222.3510       25.68935  244.8158       
32.41187  184.3940       42.13067  152.1871 10.53794 128.4552 16.51075 
23.73190       19.58706 
1 1 1 -11 8  26 o 95.77960 12.27896 100.5643       23.36520  67.77505       
42.52495  114.7438       27.96457  72.02235 24.38964 101.3954 13.93051 
-29.37307      28.08761 
1 1 1 -11 9  1  o 595.8864 5.635440 3613.940       68.28773  3546.420       
95.16402  3685.613       98.04737  590.0056 7.931682 601.4599 8.016372 
-11.45435      11.27714 
1 1 1 -11 9  2  o 428.8752 5.307100 1871.682       46.28493  1807.927       
55.78025  2012.613       82.93287  421.4223 6.508959 444.3735 9.177557 
-22.95126      11.25140 
1 1 1 -11 9  3  f 491.2844 5.701791 2456.196       56.96337  2507.720       
71.20656  2364.616       94.93340  496.2965 7.055493 481.6452 9.692601 
14.65128       11.98860 
1 1 1 -11 9  4  o 520.8124 7.262784 2761.632       76.91940  2761.632       
76.91940  0.000000       0.000000  520.8124 7.262784 ?        ?        
0.000000       7.262784 
1 1 1 -11 9  5  o 234.1927 4.026876 557.8824       19.17755  573.0594       
27.42855  543.3673       26.82386  237.3096 5.683764 231.0791 5.708329 
6.230484       8.055446 
1 1 1 -11 9  6  o 421.2268 4.575925 1805.003       39.19642  1814.978       
55.52629  1795.096       55.33841  422.2804 6.466158 419.9602 6.479883 
2.320221       9.154239 
1 1 1 -11 9  7  o 541.4431 6.062868 2983.514       66.75478  3030.473       
83.10630  2898.119       112.0709  545.5549 7.491074 533.1693 10.33656 
12.38562       12.76561 
1 1 1 -11 9  8  f 274.5503 4.675636 766.8559       26.10442  766.2024       
32.26503  768.0944       44.41620  274.3917 5.782420 274.6231 7.953400 
-0.2314758     9.833258 
1 1 1 -11 9  9  o 273.5066 4.205065 760.9763       23.38794  726.2028       
32.07799  800.4387       34.17234  267.1204 5.905392 280.4373 5.992216 
-13.31699      8.413103 
1 1 1 -11 9  10 o 202.7631 4.412482 418.2707       18.19380  401.1953       
25.46881  436.0648       25.99921  198.5196 6.308903 206.9722 6.177273 
-8.452560      8.829551 
1 1 1 -11 9  11 o 372.7517 4.508057 1413.722       34.17122  1431.759       
48.86581  1396.462       47.80255  374.9885 6.408195 370.3423 6.347406 
4.646210       9.019674 
1 1 1 -11 9  12 o 398.3152 5.348979 1615.004       43.32606  1523.970       
72.11611  1666.420       54.19735  386.4958 9.175634 404.4860 6.589055 
-17.99014      11.29637 
1 1 1 -11 9  13 o 590.6827 5.768640 3553.241       69.29136  3732.087       
102.4569  3402.491       94.06551  604.8412 8.330069 577.5887 8.008668 
27.25250       11.55547 
1 1 1 -11 9  14 o 478.4352 5.167080 2330.989       50.27126  2498.975       
75.30418  2195.938       67.51974  494.9551 7.481726 464.0395 7.155243 
30.91565       10.35248 
1 1 1 -11 9  15 o 300.0717 6.396083 918.1185       39.02928  949.3442       
56.86091  890.3003       53.66877  304.6770 9.177464 295.0933 8.943569 
9.583710       12.81457 
1 1 1 -11 9  16 o 210.8772 5.525274 453.2659       23.69380  468.6380       
40.71541  445.3945       29.13529  213.9306 9.359108 208.8988 6.858543 
5.031799       11.60313 
1 1 1 -11 9  17 o 251.3487 5.465780 644.1331       27.93703  662.8935       
48.88079  635.0322       34.04553  254.2846 9.452935 249.3917 6.713154 
4.892929       11.59415 
1 1 1 -11 9  18 o 323.5423 5.506587 1067.686       36.22971  1130.748       
64.90744  1039.147       43.66482  331.8978 9.616980 318.9422 6.732375 
12.95560       11.73930 
1 1 1 -11 9  19 o 203.0241 5.994402 420.8453       24.74828  400.8969       
42.70061  430.9356       30.36905  196.9835 10.70004 205.2421 7.276346 
-8.258606      12.93970 
1 1 1 -11 9  20 o 289.1026 7.006603 855.2478       41.19181  0.000000       
0.000000  855.2478       41.19181  ?        ?        289.1026 7.006603 
0.000000       7.006603 
1 1 1 -11 9  21 o 60.94423 15.56141 40.52129       19.35287  -9.834427      
35.61885  61.61340       23.05237  44.21883 19.67666 75.27575 15.57312 
-31.05692      25.09369 
1 1 1 -11 9  22 o 74.66938 14.42861 60.31776       21.11590  106.9378       
38.87476  40.80615       25.14942  97.97552 20.18359 61.32988 18.56970 
36.64564       27.42646 
1 1 1 -11 9  23 o 118.2412 9.917040 145.6704       23.62503  182.7198       
42.65334  129.2739       28.37524  129.9711 16.51074 110.4149 12.87951 
19.55619       20.94007 
1 1 1 -11 9  24 o 64.85305 16.42835 47.17635       21.69046  32.65599       
39.64144  53.38133       25.91379  59.84881 23.05922 68.55504 18.26096 
-8.706230      29.41411 
1 1 1 -11 9  25 o 41.84401 16.88196 11.48018       22.15106  6.502767       
39.96080  13.68798       26.61415  49.56316 21.47702 45.38491 18.43631 
4.178257       28.30477 
1 1 1 -11 9  26 o 67.21418 18.89413 55.01544       26.90028  0.000000       
0.000000  55.01544       26.90028  ?        ?        67.21418 18.89413 
0.000000       18.89413 
1 1 1 -11 10 1  o 218.9144 4.263668 487.5630       18.98057  467.2021       
27.09673  507.1775       26.59544  214.2222 6.220151 223.2149 5.859123 
-8.992722      8.545151 
1 1 1 -11 10 2  o 277.1585 4.639291 781.5523       26.14757  791.4111       
32.81656  764.4112       43.27135  278.8512 5.787208 273.9432 7.767629 
4.907959       9.686477 
1 1 1 -11 10 3  o 703.0042 7.303930 5032.507       104.4157  4920.379       
125.6732  5282.448       187.6312  694.8788 8.893694 719.1345 12.83050 
-24.25568      15.61152 
1 1 1 -11 10 4  o 448.7471 5.391863 2049.089       49.20304  2068.928       
61.11366  2012.535       82.95499  450.8222 6.666250 444.4004 9.179450 
6.421814       11.34466 
1 1 1 -11 10 5  o 346.0558 4.815917 1218.359       33.89039  1235.567       
42.37236  1187.804       56.46178  348.4343 5.980126 341.4989 8.130436 
6.935425       10.09286 
1 1 1 -11 10 6  o 187.0835 4.712633 356.0754       17.92877  378.4069       
22.68091  318.8791       29.27195  192.8328 5.783999 176.9419 8.135221 
15.89085       9.981807 
1 1 1 -11 10 7  o 152.4263 5.180905 236.4007       16.05894  242.7080       
20.24007  225.6833       26.38365  154.4164 6.445656 148.5751 8.771368 
5.841263       10.88501 
1 1 1 -11 10 8  o 502.4695 5.804868 2569.464       59.31349  2584.367       
73.19984  2540.971       101.2138  503.8047 7.144905 499.2262 9.969906 
4.578552       12.26575 
1 1 1 -11 10 9  o 583.8914 5.576720 3469.616       66.21590  3417.497       
92.59874  3524.155       94.72430  579.2288 7.861465 588.1902 7.919397 
-8.961487      11.15883 
1 1 1 -11 10 10 o 343.3963 6.163527 1200.446       43.04040  1200.446       
43.04040  0.000000       0.000000  343.3963 6.163527 ?        ?        
0.000000       6.163527 
1 1 1 -11 10 11 o 290.5268 4.921387 858.9656       29.07537  889.4539       
50.22471  843.5978       35.65803  295.3931 8.361143 287.8488 6.091741 
7.544250       10.34495 
1 1 1 -11 10 12 o 356.8629 4.513914 1295.985       32.75715  1256.040       
45.92981  1337.337       46.73182  351.1639 6.431811 362.3590 6.341941 
-11.19513      9.032630 
1 1 1 -11 10 13 o 30.48939 12.59761 2.628983       12.69623  6.145212       
18.23583  -0.6788187     17.68710  37.72008 15.28262 33.78809 14.46028 
3.931992       21.03944 
1 1 1 -11 10 14 o 296.2571 4.479659 893.4889       26.98765  858.8407       
37.72348  929.8131       38.62509  290.2727 6.390783 302.0403 6.288589 
-11.76755      8.965961 
1 1 1 -11 10 15 o 115.7729 7.342317 137.3543       17.19642  140.8093       
21.44228  131.1265       28.78822  116.9867 9.084527 112.1910 12.85017 
4.795769       15.73708 
1 1 1 -11 10 16 o 157.0830 5.314865 251.4825       16.97747  254.3810       
24.12974  248.6409       23.89155  157.7989 7.519642 156.0073 7.530920 
1.791626       10.64236 
1 1 1 -11 10 17 o 26.89618 11.93872 -4.513925      13.03425  -5.725678      
18.39766  -3.292760      18.46897  32.12238 14.22479 33.20420 14.49227 
-1.081829      20.30691 
1 1 1 -11 10 18 o 39.05433 14.16342 13.20590       14.50301  -1.529794      
19.57243  31.14857       21.59748  34.94962 15.08766 54.74913 17.31819 
-19.79950      22.96861 
1 1 1 -11 10 19 o 174.0810 5.490534 309.2303       19.43647  326.1491       
27.41826  292.1399       27.55691  178.4948 7.553754 168.8590 8.025180 
9.635818       11.02101 
1 1 1 -11 10 20 o 115.3793 8.485420 137.3711       19.76944  157.8305       
35.02545  127.8058       23.94902  122.1490 14.37591 110.7636 10.76873 
11.38534       17.96197 
1 1 1 -11 10 21 o 135.7193 7.070439 189.1418       19.44617  209.6818       
28.23670  170.6111       26.82004  142.2906 9.818652 128.1398 10.38181 
14.15086       14.28943 
1 1 1 -11 10 22 o 232.4458 5.627023 552.1170       26.59818  593.6248       
38.09771  512.6462       37.15115  240.4772 7.790649 223.3655 8.179085 
17.11165       11.29565 
1 1 1 -11 10 23 o 104.2043 9.336621 113.0792       19.57478  70.55031       
27.41792  157.2931       27.95576  79.65592 17.41228 122.4036 11.36072 
-42.74770      20.79070 
1 1 1 -11 10 24 o 33.61926 14.46923 0.8708654E-01  17.89032  32.22708       
25.83668  -29.51781      24.79680  55.30341 19.00692 30.35154 14.47296 
24.95187       23.88994 
1 1 1 -11 10 25 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -11 10 26 o 147.9882 11.19978 236.4977       33.45490  0.000000       
0.000000  236.4977       33.45490  ?        ?        147.9882 11.19978 
0.000000       11.19978 
1 1 1 -11 11 1  o 294.0167 4.190761 879.4907       25.05626  856.4099       
35.08875  903.5054       35.79152  290.0430 5.949137 297.9138 5.907966 
-7.870789      8.384289 
1 1 1 -11 11 2  o 64.75488 9.372475 43.63542       11.98286  40.60293       
16.99661  46.63228       16.89647  61.79674 13.86614 66.41623 12.97570 
-4.619492      18.99049 
1 1 1 -11 11 3  o 227.2750 4.673086 525.5381       21.59767  515.4091       
26.93430  543.7805       36.14640  225.0318 5.885868 231.0589 7.692913 
-6.027176      9.686296 
1 1 1 -11 11 4  o 609.7514 6.550226 3784.865       81.21954  3764.125       
99.44984  3826.402       140.7425  607.8925 8.044997 612.3595 11.30232 
-4.467041      13.87315 
1 1 1 -11 11 5  o 167.0635 4.928946 283.9705       16.74507  271.7312       
20.97357  305.4877       27.80918  163.3888 6.312462 173.1872 7.896252 
-9.798386      10.10930 
1 1 1 -11 11 6  o 493.6945 5.709352 2480.415       57.31873  2465.164       
70.40761  2510.385       98.70172  492.0611 7.036377 496.2417 9.780928 
-4.180603      12.04895 
1 1 1 -11 11 7  o 300.9494 4.700290 921.4568       28.76534  961.3539       
36.34025  854.5171       47.07167  307.3456 5.814462 289.6441 7.991780 
17.70154       9.883142 
1 1 1 -11 11 8  o 160.9859 4.588409 263.6707       15.02109  274.3836       
21.03849  252.5309       21.45364  164.1794 6.301511 157.4941 6.698617 
6.685242       9.196766 
1 1 1 -11 11 9  o 340.6719 4.315941 1180.714       29.89945  1211.440       
42.72517  1151.225       41.85663  344.9774 6.090341 336.2926 6.120621 
8.684814       8.634480 
1 1 1 -11 11 10 o 358.3431 4.405552 1306.491       32.10339  1292.796       
45.05253  1320.618       45.75777  356.3433 6.217263 360.1551 6.247753 
-3.811798      8.814124 
1 1 1 -11 11 11 o 314.0279 4.940924 1003.612       31.55207  907.4423       
51.37499  1061.854       39.98044  298.3321 8.468379 322.9326 6.088134 
-24.60052      10.42971 
1 1 1 -11 11 12 o 389.1200 4.589558 1540.997       36.31666  1502.181       
50.80741  1581.546       51.93002  384.0038 6.506390 394.0203 6.481096 
-10.01651      9.183557 
1 1 1 -11 11 13 o 389.0493 4.656835 1540.762       36.84231  1540.317       
52.12623  1541.206       52.07960  388.7662 6.593505 388.8795 6.585688 
-0.1132202     9.319098 
1 1 1 -11 11 14 o 341.0073 5.248676 1184.443       36.39694  1241.335       
65.75684  1159.314       43.70200  348.4495 9.280037 337.2298 6.372706 
11.21967       11.25746 
1 1 1 -11 11 15 o 209.2540 4.699556 445.9548       19.99779  469.7757       
28.47357  422.7671       28.09256  214.6048 6.524559 203.5578 6.786598 
11.04694       9.414232 
1 1 1 -11 11 16 o 36.40844 13.17181 11.40631       12.53231  22.84365       
17.52694  -0.5584854     17.92653  47.76357 15.64576 33.93893 14.54220 
13.82463       21.36037 
1 1 1 -11 11 17 o 129.2152 6.063175 170.3803       15.93181  177.1808       
22.43778  163.4656       22.62535  131.2797 8.449754 125.9995 8.887269 
5.280258       12.26303 
1 1 1 -11 11 18 o 238.7879 5.551108 581.7158       26.95526  582.0472       
32.94294  581.0444       46.88886  238.6571 6.787919 237.8306 9.695060 
0.8264465      11.83512 
1 1 1 -11 11 19 o 196.4755 5.263665 393.8343       21.03042  399.3773       
29.75388  388.3005       29.72915  197.5251 7.407468 194.7491 7.506815 
2.776077       10.54622 
1 1 1 -11 11 20 f 69.39859 13.60993 51.83591       18.52059  55.17619       
31.61371  50.09043       22.85290  70.77671 20.67216 67.61170 16.71593 
3.165009       26.58497 
1 1 1 -11 11 21 o 65.33851 13.36354 46.07577       17.15710  29.25879       
25.26599  60.46615       23.37213  54.33117 18.78879 74.41776 15.92549 
-20.08659      24.63006 
1 1 1 -11 11 22 o 45.40640 16.42012 18.75204       19.47268  30.27789       
25.69572  3.203602       29.84475  54.93274 18.95068 44.41463 18.89002 
10.51810       26.75745 
1 1 1 -11 11 23 o 133.2375 7.824846 183.2814       21.10782  205.5907       
30.02637  161.4859       29.67861  140.2783 10.60426 123.7741 11.93944 
16.50425       15.96873 
1 1 1 -11 11 24 o 133.3066 7.768637 184.0907       20.96822  174.0648       
30.42639  193.1590       28.93674  128.0703 11.81614 135.5097 10.58495 
-7.439346      15.86388 
1 1 1 -11 11 25 o 46.93907 16.12026 23.35292       18.58310  21.85015       
26.58259  24.78926       25.98844  48.96195 18.87775 50.23363 18.82767 
-1.271675      26.66178 
1 1 1 -11 11 26 o 38.73906 16.94126 1.392473       25.34896  0.000000       
0.000000  1.392473       25.34896  ?        ?        38.73906 16.94126 
0.000000       16.94126 
1 1 1 -11 12 1  o 137.0459 5.130102 191.1519       14.29696  182.7402       
20.19503  199.6035       20.24296  133.7170 7.456565 139.7969 7.144604 
-6.079880      10.32694 
1 1 1 -11 12 2  o 308.6071 4.171208 968.9194       26.17697  956.1852       
36.78786  981.9797       37.25621  306.4826 5.902654 310.5892 5.898762 
-4.106628      8.344862 
1 1 1 -11 12 3  o 654.3080 6.010433 4357.887       79.97227  4221.844       
110.1200  4509.709       116.3312  643.6662 8.413062 665.2155 8.599679 
-21.54926      12.03055 
1 1 1 -11 12 4  o 540.3528 5.271811 2971.225       57.92802  2930.988       
80.61287  3014.187       83.29829  536.4677 7.389404 544.0116 7.529680 
-7.543945      10.54985 
1 1 1 -11 12 5  o 222.6885 4.616084 504.5280       20.90369  509.1548       
26.08088  496.2165       34.95589  223.6698 5.734077 220.7208 7.787996 
2.948959       9.671222 
1 1 1 -11 12 6  o 657.4238 6.933337 4400.637       92.69135  4405.833       
114.0120  4390.507       159.1901  657.5781 8.526125 655.7731 11.93744 
1.804932       14.66960 
1 1 1 -11 12 7  o 210.8773 5.863016 452.6068       25.14215  452.6068       
25.14215  0.000000       0.000000  210.8773 5.863016 ?        ?        
0.000000       5.863016 
1 1 1 -11 12 8  o 205.2624 4.214475 428.6252       17.59156  419.3040       
24.32018  438.8538       25.47653  202.9653 5.892416 207.6376 6.033688 
-4.672287      8.433620 
1 1 1 -11 12 9  o 329.2149 4.275450 1102.660       28.62284  1085.631       
39.97341  1120.579       41.00388  326.5664 6.019332 331.7773 6.077527 
-5.210907      8.553869 
1 1 1 -11 12 10 o 75.33977 8.228939 58.53851       12.40221  45.59086       
17.60008  71.30905       17.47929  65.54018 13.64893 82.90900 10.61086 
-17.36883      17.28825 
1 1 1 -11 12 11 o 326.1732 4.939121 1082.815       32.76042  1085.979       
55.94524  1081.164       40.41430  326.3361 8.430371 325.8386 6.099315 
0.4974365      10.40542 
1 1 1 -11 12 12 o 260.1164 4.334310 688.5734       22.92657  645.3037       
31.76184  735.6437       33.12739  251.6914 6.205629 268.7438 6.061740 
-17.05243      8.674937 
1 1 1 -11 12 13 o 253.8199 4.427346 655.7800       22.85181  666.3553       
32.60498  645.5697       32.03717  255.7148 6.270133 251.6959 6.259313 
4.018875       8.859659 
1 1 1 -11 12 14 o 251.5531 5.174029 644.5641       26.46732  666.6240       
47.44281  634.5962       31.89131  255.3333 9.137166 249.4932 6.285824 
5.840118       11.09051 
1 1 1 -11 12 15 o 120.7855 6.015289 148.7611       14.77484  148.6160       
20.73573  148.9108       21.05754  120.2561 8.534753 120.3568 8.661618 
-0.1007690     12.16000 
1 1 1 -11 12 16 o 232.7132 4.589471 551.6878       21.71876  556.9023       
30.56649  546.3707       30.86563  233.5951 6.434730 231.3587 6.560513 
2.236404       9.189455 
1 1 1 -11 12 17 o 153.1397 5.488108 239.1821       17.09078  232.3984       
24.21899  245.9112       24.12134  150.4950 7.941875 155.0553 7.650034 
-4.560303      11.02708 
1 1 1 -11 12 18 o 333.1398 5.503376 1132.302       37.28268  1097.938       
44.72011  1210.623       67.51250  327.7730 6.709315 343.2445 9.672287 
-15.47150      11.77149 
1 1 1 -11 12 19 o 38.80163 14.22676 12.79486       14.69069  38.99664       
20.49116  -14.91499      21.07260  59.93444 16.35637 31.32096 14.40492 
28.61348       21.79524 
1 1 1 -11 12 20 f 64.03749 14.42998 44.52900       18.34074  49.23510       
30.98363  41.99044       22.75596  67.26214 20.66093 62.02611 17.35749 
5.236027       26.98438 
1 1 1 -11 12 21 o 225.4312 5.367575 518.9677       24.60614  538.0212       
35.10003  500.5554       34.50431  229.0495 7.535753 220.8938 7.681365 
8.155746       10.76062 
1 1 1 -11 12 22 o 97.47573 10.72341 99.58553       20.90448  101.9712       
26.99203  96.01003       33.04470  97.66218 13.99093 93.27276 18.07459 
4.389420       22.85688 
1 1 1 -11 12 23 o 41.45322 15.70502 13.94215       18.19152  17.70078       
25.66246  10.14566       25.79141  47.74680 18.50914 44.26803 18.08454 
3.478764       25.87738 
1 1 1 -11 12 24 f 39.20779 15.53169 10.42384       18.40397  48.17122       
26.55426  -24.46831      25.53022  64.84551 18.94764 32.07265 15.11283 
32.77286       24.23656 
1 1 1 -11 12 25 o 56.94489 15.94817 37.27222       19.20275  39.28103       
26.36353  35.00204       28.02625  58.28605 19.19336 56.05894 19.76307 
2.227112       27.54930 
1 1 1 -11 12 26 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -11 13 1  o 374.2876 4.412654 1425.503       33.58588  1435.015       
47.98539  1416.369       47.02440  375.3849 6.286093 372.9460 6.200489 
2.438904       8.829555 
1 1 1 -11 13 2  o 120.3361 5.405540 147.3903       13.22776  153.7552       
19.11028  141.5358       18.32799  122.6001 7.704402 117.6077 7.706116 
4.992340       10.89688 
1 1 1 -11 13 3  o 563.5948 6.278775 3233.895       71.96036  3195.809       
86.83643  3317.383       128.5673  560.0918 7.624147 570.0306 11.09126 
-9.938782      13.45896 
1 1 1 -11 13 4  f 581.5342 6.404825 3443.002       75.74152  3459.042       
92.56178  3410.497       131.7659  582.7025 7.811481 578.0073 11.21033 
4.695129       13.66348 
1 1 1 -11 13 5  o 330.0979 4.915582 1108.744       32.99659  1079.461       
39.12531  1180.875       61.40567  325.6555 5.908101 340.3794 8.871433 
-14.72388      10.65870 
1 1 1 -11 13 6  o 282.6227 4.799060 812.7250       27.58129  826.1951       
33.32199  783.4163       49.15220  284.9110 5.751355 277.2537 8.717945 
7.657318       10.44417 
1 1 1 -11 13 7  f 123.5341 5.143175 155.2947       12.92021  137.5383       
17.84147  174.8745       18.73516  115.9520 7.608808 130.8523 7.067048 
-14.90024      10.38447 
1 1 1 -11 13 8  o 160.7308 4.544322 262.8537       14.85318  269.4587       
20.75480  255.9196       21.26565  162.6877 6.273539 158.5370 6.596241 
4.150635       9.103168 
1 1 1 -11 13 9  o 201.8673 4.327602 414.6105       17.76498  442.8511       
25.48105  387.9012       24.78055  208.5651 6.007920 195.1872 6.243212 
13.37791       8.664456 
1 1 1 -11 13 10 o 421.9677 5.330419 1812.422       45.73956  1754.721       
76.07262  1845.092       57.24229  414.7705 9.019222 425.6272 6.613573 
-10.85672      11.18417 
1 1 1 -11 13 11 o 324.2882 6.187990 1071.075       40.80676  1071.075       
40.80676  0.000000       0.000000  324.2882 6.187990 ?        ?        
0.000000       6.187990 
1 1 1 -11 13 12 o 248.9897 6.133790 631.5779       31.05716  0.000000       
0.000000  631.5779       31.05716  ?        ?        248.9897 6.133790 
0.000000       6.133790 
1 1 1 -11 13 13 o 383.3668 4.600492 1496.268       35.86494  1472.635       
50.33207  1520.644       51.11844  380.0819 6.512026 386.2283 6.508519 
-6.146332      9.206916 
1 1 1 -11 13 14 o 156.6129 6.071174 250.0459       19.33534  194.4554       
33.50741  277.7973       23.67463  137.0503 12.14883 164.9992 7.055860 
-27.94885      14.04917 
1 1 1 -11 13 15 o 186.1500 4.823097 353.0090       18.25746  363.0927       
25.86018  342.9879       25.77991  188.6165 6.742180 183.3022 6.916115 
5.314316       9.658656 
1 1 1 -11 13 16 o 214.4375 4.692795 468.5208       20.46368  499.2403       
28.98101  437.9746       28.89920  221.1520 6.444235 207.0839 6.862589 
14.06805       9.413995 
1 1 1 -11 13 17 o 77.31074 8.946707 62.08262       13.80560  74.58286       
19.20949  48.72868       19.85461  84.31377 11.50407 67.17763 14.92206 
17.13615       18.84174 
1 1 1 -11 13 18 o 234.0035 5.560659 558.7801       26.46062  555.1826       
32.05071  566.4808       46.89303  233.0469 6.763053 234.7108 9.824801 
-1.663864      11.92752 
1 1 1 -11 13 19 o 62.43117 12.35206 41.76977       15.12637  60.81432       
21.17230  21.91403       21.61851  75.15381 14.37756 48.61316 17.33380 
26.54065       22.52054 
1 1 1 -11 13 20 o 95.16111 8.905495 93.91932       17.03292  83.94883       
23.45584  105.0425       24.77461  88.79995 13.40684 99.79716 12.48071 
-10.99721      18.31697 
1 1 1 -11 13 21 o 129.1051 7.237017 171.3793       18.92346  183.2522       
26.10125  158.2236       27.47522  132.9363 9.722756 123.1020 11.09473 
9.834305       14.75212 
1 1 1 -11 13 22 o 199.1146 6.585096 406.1644       26.66347  440.2497       
34.37106  354.6526       42.25348  206.8827 8.169911 184.3870 11.32367 
22.49568       13.96327 
1 1 1 -11 13 23 f 111.5461 8.880894 129.4295       19.97791  110.2930       
27.19393  151.8675       29.44638  101.3877 13.52715 119.7248 12.26797 
-18.33712      18.26162 
1 1 1 -11 13 24 o 33.03510 14.46972 -2.287749      18.55728  -15.74007      
27.39285  9.122750       25.22847  35.76365 16.43911 42.90896 17.74595 
-7.145309      24.19014 
1 1 1 -11 13 25 o 93.07964 10.49923 92.90717       19.52579  124.9942       
28.72248  65.33735       26.62403  106.4084 13.58370 74.34662 17.83822 
32.06178       22.42140 
1 1 1 -11 14 1  o 268.7787 4.643352 735.2120       25.37920  670.7525       
41.42382  773.9482       32.11184  256.4978 7.941729 275.7020 5.727616 
-19.20416      9.791661 
1 1 1 -11 14 2  o 212.5567 4.228886 459.6971       18.27899  471.2590       
26.04400  448.4727       25.66105  215.1401 5.952987 209.8716 6.012699 
5.268555       8.461123 
1 1 1 -11 14 3  o 86.10357 8.395901 76.28529       14.51372  77.56055       
16.65163  72.25353       29.60767  86.66924 9.609776 82.23621 18.18735 
4.433029       20.57006 
1 1 1 -11 14 4  o 121.7732 12.82907 153.2713       31.29063  0.000000       
0.000000  153.2713       31.29063  ?        ?        121.7732 12.82907 
0.000000       12.82907 
1 1 1 -11 14 5  o 182.7970 5.143421 340.0484       19.11933  347.9725       
22.53404  319.6829       36.12514  184.8856 5.993555 176.7325 10.09362 
8.153183       11.73899 
1 1 1 -11 14 6  o 438.5151 5.436836 1957.109       48.48219  1934.580       
58.41286  2006.993       86.92058  435.8841 6.590010 443.6051 9.635509 
-7.720978      11.67353 
1 1 1 -11 14 7  o 285.0856 4.133832 826.8420       23.96511  796.5046       
33.07877  860.3568       34.76786  279.7277 5.815169 290.7201 5.881004 
-10.99237      8.270575 
1 1 1 -11 14 8  o 152.6334 4.644899 237.0567       14.41708  226.7333       
19.98561  248.2574       20.81749  149.2154 6.586464 156.1386 6.556418 
-6.923157      9.293446 
1 1 1 -11 14 9  o 231.5442 4.693472 545.5720       22.09936  561.5648       
36.68601  536.4633       27.68647  234.7487 7.685035 229.5459 5.931254 
5.202774       9.707705 
1 1 1 -11 14 10 o 115.4324 6.330226 136.1149       14.80261  133.9045       
23.23806  137.6242       19.20259  114.0706 10.12304 115.8906 8.201133 
-1.820068      13.02822 
1 1 1 -11 14 11 o 196.9039 4.470868 394.5901       17.90183  421.6565       
25.59779  368.6795       25.04529  203.4559 6.187009 190.2294 6.474364 
13.22652       8.955248 
1 1 1 -11 14 12 o 48.00618 12.36536 24.52114       12.14513  33.03094       
17.32900  16.30571       17.02662  55.70605 14.97465 43.03263 15.37898 
12.67342       21.46516 
1 1 1 -11 14 13 o 49.98755 12.21662 26.66918       12.31329  15.34294       
17.36205  38.13099       17.46565  42.53715 15.48596 59.65776 14.53136 
-17.12061      21.23619 
1 1 1 -11 14 14 o 244.5442 5.181517 609.2838       25.76710  574.0785       
45.02891  626.4246       31.41985  236.8317 9.349755 247.8475 6.234020 
-11.01581      11.23748 
1 1 1 -11 14 15 o 77.25213 8.448608 61.77213       13.05597  71.07532       
18.35951  52.25426       18.57015  82.41795 11.24809 69.98859 13.53734 
12.42935       17.60054 
1 1 1 -11 14 16 o 146.4886 6.128694 218.9998       18.25674  221.8217       
22.53264  213.6069       31.14927  147.0967 7.558353 143.7372 10.73427 
3.359528       13.12833 
1 1 1 -11 14 17 o 299.6482 4.578792 915.0504       27.90062  884.9378       
38.63779  947.8609       40.33157  294.3423 6.455177 304.6151 6.510919 
-10.27277      9.168500 
1 1 1 -11 14 18 o 72.75378 12.01520 56.13439       17.15560  59.96777       
20.27882  46.48455       32.17448  74.81179 13.83946 66.15829 21.16010 
8.653496       25.28400 
1 1 1 -11 14 19 o 268.8180 4.891690 737.1495       26.74045  774.8439       
38.36425  701.5329       37.29195  275.1733 6.855971 261.7956 7.004890 
13.37766       9.801675 
1 1 1 -11 14 20 o 110.3161 7.726662 125.4383       17.22391  110.2117       
24.29048  140.8361       24.42665  102.3909 11.88723 116.3006 10.43952 
-13.90968      15.82055 
1 1 1 -11 14 21 o 36.65352 14.60281 7.803982       16.35423  16.33797       
22.60968  -1.560667      23.68450  45.70815 17.46267 38.16970 16.53718 
7.538448       24.05043 
1 1 1 -11 14 22 o 36.26842 15.27927 2.754211       19.22375  3.438773       
24.01528  1.533145       32.07382  40.31927 17.03662 45.10332 19.39219 
-4.784050      25.81286 
1 1 1 -11 14 23 o 129.6179 7.818068 173.7954       20.51061  175.4869       
28.82227  172.0601       29.19408  129.1523 11.08157 127.7706 11.35433 
1.381645       15.86575 
1 1 1 -11 14 24 o 119.3847 10.00130 150.2308       24.05672  172.2098       
29.74414  108.6612       40.90583  127.1049 11.63683 95.39905 21.58943 
31.70590       24.52589 
1 1 1 -11 14 25 o 51.73549 16.41941 30.51186       19.40151  -0.5901098     
27.56965  61.02624       27.30798  39.79174 17.52735 71.18507 18.64334 
-31.39333      25.58871 
1 1 1 -11 15 1  o 223.9749 4.680722 510.5799       21.31885  501.5829       
35.14369  515.8183       26.81642  221.7925 7.792002 225.0559 5.859480 
-3.263367      9.749297 
1 1 1 -11 15 2  o 207.3907 6.008955 437.9828       25.34192  457.4779       
33.61591  412.3173       38.57059  211.8461 7.803202 200.9998 9.436465 
10.84636       12.24487 
1 1 1 -11 15 3  o 428.1332 5.394093 1865.820       46.96224  1807.661       
55.77044  2007.568       87.06728  421.2993 6.509714 443.5476 9.653021 
-22.24832      11.64290 
1 1 1 -11 15 4  o 417.5211 4.570178 1773.832       38.80280  1787.096       
55.07651  1760.760       54.67656  418.9179 6.465261 415.8197 6.466134 
3.098175       9.143876 
1 1 1 -11 15 5  o 292.5004 4.109893 870.4368       24.44604  805.2096       
33.25869  947.0895       36.05409  281.2424 5.815311 305.0156 5.812742 
-23.77322      8.222276 
1 1 1 -11 15 6  o 586.4608 6.458598 3502.240       77.02446  3507.021       
93.90666  3492.413       134.6480  586.6490 7.871665 584.7361 11.32371 
1.912964       13.79092 
1 1 1 -11 15 7  o 489.4305 5.783521 2438.567       57.56186  2406.043       
69.36203  2510.519       103.1670  486.0154 7.018113 495.9540 10.22935 
-9.938629      12.40538 
1 1 1 -11 15 8  o 232.6042 4.147754 550.4807       19.61923  541.9648       
27.48741  559.3244       28.01158  230.7225 5.858580 234.3875 5.876945 
-3.665024      8.298279 
1 1 1 -11 15 9  o 213.3811 4.755702 463.3806       20.63584  495.2701       
34.04551  444.8608       25.94497  220.4423 7.594750 209.0106 6.104268 
11.43170       9.743835 
1 1 1 -11 15 10 o 322.8145 4.834959 1060.697       31.73929  1064.662       
53.14544  1058.499       39.57120  323.1072 8.088498 322.3836 6.036077 
0.7235718      10.09247 
1 1 1 -11 15 11 f 249.1109 4.236093 631.5574       21.45901  619.2490       
29.96213  644.5203       30.74838  246.5574 5.975898 251.5354 6.011347 
-4.977905      8.476299 
1 1 1 -11 15 12 o 245.8899 4.282321 615.4335       21.41270  630.8302       
30.40356  600.2805       30.16214  248.8141 6.008943 242.7056 6.111263 
6.108536       8.570585 
1 1 1 -11 15 13 o 524.4559 5.305390 2802.159       56.58192  2814.756       
80.25799  2789.712       79.78197  525.1145 7.515932 522.7762 7.504772 
2.338257       10.62124 
1 1 1 -11 15 14 o 129.3889 6.546615 171.2440       17.16921  171.1553       
31.07512  171.2830       20.59872  128.4506 12.03705 129.2319 7.875840 
-0.7812805     14.38469 
1 1 1 -11 15 15 f 144.9809 5.300085 214.2729       15.62590  227.1958       
21.97194  201.0484       22.22698  149.1214 7.245648 140.0054 7.838495 
9.115952       10.67434 
1 1 1 -11 15 16 o 53.89750 13.28373 31.24970       14.46581  32.82945       
17.79566  28.17243       24.83718  55.30421 15.30476 53.93811 18.63004 
1.366104       24.11046 
1 1 1 -11 15 17 o 169.1661 5.145007 291.8533       17.69908  285.4010       
24.45697  298.9481       25.64589  167.0435 7.199818 170.9368 7.377865 
-3.893280      10.30875 
1 1 1 -11 15 18 o 127.4151 6.250424 165.8897       16.19504  169.5528       
22.61527  162.0339       23.20251  128.2257 8.725002 125.2441 9.173998 
2.981636       12.66049 
1 1 1 -11 15 19 o 93.49236 9.441239 90.87720       17.70378  86.39826       
30.05820  93.25626       21.90668  88.96507 17.23721 94.18171 11.68956 
-5.216644      20.82708 
1 1 1 -11 15 20 o 131.3840 6.757657 177.2110       17.99356  188.7286       
25.79557  166.2959       25.11168  134.9914 9.456685 126.5785 9.833008 
8.412903       13.64247 
1 1 1 -11 15 21 o 154.0896 6.378001 243.0455       19.98524  220.6955       
27.42938  268.3366       29.17843  146.0054 9.286642 161.1511 8.938889 
-15.14574      12.88974 
1 1 1 -11 15 22 o 143.3293 7.965556 212.0330       23.12524  213.5752       
28.95052  209.3143       38.43851  143.2427 10.00153 140.4224 13.63284 
2.820313       16.90814 
1 1 1 -11 15 23 o 50.59235 15.50256 27.80275       17.45588  35.23720       
24.86542  20.57866       24.51109  56.96042 18.63441 48.38094 18.25386 
8.579479       26.08533 
1 1 1 -11 15 24 o 60.02263 16.81775 41.23368       21.34888  74.21706       
26.49960  -19.76344      36.03682  80.69057 16.70008 40.44831 18.68683 
40.24226       25.06172 
1 1 1 -11 15 25 o 110.0491 8.955772 128.2179       19.86814  132.1705       
28.13192  124.2843       28.06379  109.5123 12.87837 105.8748 13.33025 
3.637558       18.53505 
1 1 1 -11 16 1  o 372.4866 6.176013 1413.474       46.78109  0.000000       
0.000000  1413.474       46.78109  ?        ?        372.4866 6.176013 
0.000000       6.176013 
1 1 1 -11 16 2  o 402.2024 6.292678 1647.773       51.46732  1702.577       
72.02454  1590.588       73.57169  408.5043 8.670266 394.7614 9.164833 
13.74286       12.61617 
1 1 1 -11 16 3  o 360.1017 4.862587 1319.792       35.60771  1319.142       
59.61200  1320.153       44.39866  359.6883 8.149969 360.0511 6.063932 
-0.3628235     10.15841 
1 1 1 -11 16 4  o 154.5400 4.498572 243.0275       14.13732  228.4673       
20.02159  257.5054       19.96492  149.7703 6.573876 159.0197 6.173977 
-9.249451      9.018527 
1 1 1 -11 16 5  o 269.6372 4.008262 739.6964       21.97796  720.2600       
30.69680  760.1385       31.48109  265.9874 5.675191 273.2523 5.665452 
-7.264832      8.019049 
1 1 1 -11 16 6  o 358.2497 4.303877 1305.888       31.35430  1232.608       
42.76720  1391.049       46.10393  347.9311 6.044580 369.6092 6.133999 
-21.67807      8.611788 
1 1 1 -11 16 7  o 329.5021 4.965368 1105.002       33.27063  1131.205       
40.67220  1052.005       57.84275  333.3108 6.000630 321.1605 8.856770 
12.15027       10.69813 
1 1 1 -11 16 8  o 522.2291 5.932420 2777.032       63.00055  2835.076       
109.0240  2747.933       77.19367  526.9089 10.17502 519.2885 7.310071 
7.620422       12.52869 
1 1 1 -11 16 9  o 176.0163 4.929876 315.3572       17.64576  300.2769       
27.91966  325.3877       22.77011  171.6029 8.000813 178.7335 6.264806 
-7.130646      10.16173 
1 1 1 -11 16 10 o 218.8870 4.219546 487.5833       18.78180  514.7498       
26.90837  461.7740       26.22767  224.8074 5.886068 212.9144 6.057636 
11.89304       8.446346 
1 1 1 -11 16 11 o 111.5673 5.741393 127.1302       12.98168  124.4119       
18.16156  129.9698       18.56275  110.1090 8.169327 112.5553 8.165644 
-2.446236      11.55057 
1 1 1 -11 16 12 o 38.11042 12.80085 13.99290       11.71321  22.69621       
16.44955  5.040936       16.68287  47.37156 15.12775 35.71732 14.56271 
11.65424       20.99813 
1 1 1 -11 16 13 o 140.2972 5.156714 200.5335       14.71206  228.3535       
21.18477  174.6179       20.44684  149.5901 6.964172 130.5293 7.737638 
19.06081       10.41013 
1 1 1 -11 16 14 o 166.1814 5.696255 281.5765       19.24966  301.3993       
34.43785  272.5684       23.21505  171.1645 9.936742 163.3869 6.987166 
7.777618       12.14740 
1 1 1 -11 16 15 f 135.5389 5.547305 187.3494       15.28965  206.6987       
21.93313  169.0576       21.32533  141.9761 7.624769 128.2653 8.219141 
13.71078       11.21122 
1 1 1 -11 16 16 o 265.1999 5.216747 717.2211       28.13355  723.2448       
34.63293  705.5339       48.24072  266.1128 6.399884 262.2540 9.045658 
3.858734       11.08072 
1 1 1 -11 16 17 o 421.8627 5.705540 1816.589       48.94624  1797.961       
59.43924  1855.828       86.26945  419.2924 6.971156 424.6918 9.989224 
-5.399323      12.18120 
1 1 1 -11 16 18 o 228.3622 4.844446 531.8948       22.49676  535.8365       
31.81736  527.9542       31.81307  228.8535 6.836838 227.1536 6.887069 
1.699844       9.704332 
1 1 1 -11 16 19 o 198.1680 6.050621 401.4539       24.38288  411.2884       
41.29898  396.1915       30.21005  199.3378 10.22261 196.5684 7.557641 
2.769318       12.71297 
1 1 1 -11 16 20 o 129.3109 6.965147 171.8238       18.24789  159.2365       
25.60130  184.8228       26.01654  123.6985 10.27051 133.4994 9.648353 
-9.800949      14.09163 
1 1 1 -11 16 21 o 134.8196 7.121360 186.9320       19.45468  194.2414       
27.65470  179.7704       27.37360  136.6913 10.01873 131.3822 10.32904 
5.309158       14.38972 
1 1 1 -11 16 22 o 124.0533 8.696657 159.5905       21.80005  153.7431       
27.29735  169.8865       36.22211  120.9656 11.22496 125.9496 14.40137 
-4.984062      18.25922 
1 1 1 -11 16 23 o 120.2557 8.382879 150.3560       20.37160  153.2792       
28.05955  147.0978       29.62363  120.2274 11.62189 117.3325 12.61371 
2.894943       17.15150 
1 1 1 -11 16 24 o 36.29092 15.77134 -0.2268984E-01 21.67343  0.5817859E-01  
25.99006  -0.2073206     39.27080  39.42644 17.20030 47.11596 20.82752 
-7.689522      27.01177 
1 1 1 -11 16 25 o 110.4759 9.103786 129.6418       20.27014  152.0398       
29.91536  110.6297       27.56169  117.4036 12.73447 99.14100 14.06541 
18.26256       18.97373 
1 1 1 -11 17 1  o 237.9047 6.309590 576.7647       30.52499  584.7603       
43.37442  568.9189       42.96619  239.2820 8.913991 236.0141 8.952358 
3.267899       12.63345 
1 1 1 -11 17 2  o 123.1344 5.770967 154.4218       14.45039  169.2526       
23.70098  145.6470       18.23082  128.4299 9.134604 119.2763 7.555264 
9.153557       11.85424 
1 1 1 -11 17 3  o 120.6014 5.593637 148.1006       13.71823  148.9815       
22.69244  147.5932       17.22134  120.4461 9.337805 120.1347 7.080624 
0.3114243      11.71878 
1 1 1 -11 17 4  f 267.7033 4.513158 729.3195       24.56890  713.6207       
40.27412  738.6248       31.00689  264.5994 7.484897 269.3366 5.661238 
-4.737244      9.384738 
1 1 1 -11 17 5  f 289.8026 4.547265 854.6923       26.79810  841.7187       
44.08354  862.2964       33.74996  287.3724 7.543623 291.0153 5.703036 
-3.642883      9.456790 
1 1 1 -11 17 6  f 594.3364 6.433587 3597.927       77.75654  3712.443       
136.3015  3542.679       94.67321  602.6652 11.12174 589.4921 7.897646 
13.17310       13.64060 
1 1 1 -11 17 7  f 145.1351 6.407028 214.5573       18.90952  200.0162       
23.67202  240.1964       31.43312  139.7946 8.365515 153.0229 10.15910 
-13.22823      13.16014 
1 1 1 -11 17 8  o 300.8571 5.723577 921.7092       35.01702  860.0632       
45.65744  1009.767       54.56867  290.4425 7.730365 314.6130 8.529337 
-24.17053      11.51122 
1 1 1 -11 17 9  o 88.45399 9.556072 80.83302       16.91578  0.000000       
0.000000  80.83302       16.91578  ?        ?        88.45399 9.556072 
0.000000       9.556072 
1 1 1 -11 17 10 o 107.8512 5.867296 118.8426       12.81969  125.3106       
17.82145  111.9067       18.45469  110.5370 7.982049 104.3239 8.780693 
6.213066       11.86649 
1 1 1 -11 17 11 o 105.6743 6.058918 114.1729       12.96579  119.3753       
17.99648  108.5580       18.69632  107.8130 8.271588 102.6763 9.046797 
5.136681       12.25821 
1 1 1 -11 17 12 o 207.4676 6.170177 438.8267       26.03152  438.8267       
26.03152  0.000000       0.000000  207.4676 6.170177 ?        ?        
0.000000       6.170177 
1 1 1 -11 17 13 o 366.2518 4.524116 1366.151       33.69495  1365.839       
47.74423  1366.461       47.56002  365.9044 6.416554 365.9927 6.390255 
-0.8831787E-01 9.055800 
1 1 1 -11 17 14 o 271.4069 4.380244 750.2885       24.17523  760.2430       
34.16465  740.3056       34.21327  272.9674 6.154812 269.3503 6.246341 
3.617065       8.769178 
1 1 1 -11 17 15 o 118.1806 6.019477 142.9062       14.41836  122.4295       
19.68322  166.6161       21.18027  108.9202 8.966255 127.3067 8.225408 
-18.38646      12.16762 
1 1 1 -11 17 16 o 163.3152 5.927155 272.2791       19.68449  253.5258       
24.05311  310.3093       34.25279  157.3996 7.514781 173.4926 9.748259 
-16.09303      12.30855 
1 1 1 -11 17 17 o 357.2703 5.446408 1302.666       39.56931  1345.658       
49.07395  1222.772       66.89886  362.7863 6.651945 344.8173 9.540656 
17.96902       11.63067 
1 1 1 -11 17 18 o 81.79175 8.909663 69.55898       14.57940  83.03948       
20.65208  56.16610       20.58485  88.80028 11.72324 72.05978 14.54888 
16.74049       18.68433 
1 1 1 -11 17 19 o 180.3424 6.287919 332.7068       23.05984  384.8425       
40.00738  306.7687       28.21897  192.7343 10.24453 172.8396 8.028723 
19.89471       13.01579 
1 1 1 -11 17 20 o 146.8888 6.401214 220.8748       19.12065  223.3197       
26.66080  218.2854       27.43727  146.9609 8.963987 145.1847 9.342881 
1.776199       12.94768 
1 1 1 -11 17 21 o 58.08342 14.24495 36.91076       16.69718  49.89389       
24.11515  24.95467       23.14167  66.99841 17.50642 50.73679 17.95075 
16.26161       25.07398 
1 1 1 -11 17 22 f 45.24054 16.58334 18.57491       19.95882  2.374753       
25.46098  44.39808       32.14552  40.74305 17.39082 63.76860 21.20324 
-23.02555      27.42295 
1 1 1 -11 17 23 o 133.4529 7.579736 184.4757       20.48511  197.7749       
29.31728  171.7879       28.63539  137.0149 10.60474 127.4019 11.16554 
9.612961       15.39902 
1 1 1 -11 17 24 o 54.64187 17.10820 34.05299       21.12975  28.79118       
25.81801  44.72624       36.77086  52.21847 18.90348 62.34584 22.56118 
-10.12737      29.43380 
1 1 1 -11 17 25 o 101.3041 9.634487 109.9596       19.60857  113.6335       
28.24055  106.5395       27.24751  100.1041 14.27753 96.90266 14.25321 
3.201469       20.17428 
1 1 1 -11 18 1  o 231.6973 5.143778 546.7339       24.23565  531.4829       
41.98522  554.3552       29.67971  228.0509 9.053431 233.2148 6.258239 
-5.163849      11.00591 
1 1 1 -11 18 2  o 436.4384 4.620558 1939.035       41.00802  1959.352       
58.56483  1919.490       57.43973  438.4522 6.568454 433.9788 6.508673 
4.473419       9.247022 
1 1 1 -11 18 3  o 329.8522 4.652942 1107.498       31.21033  1132.706       
53.07529  1094.175       38.58688  333.2457 7.832067 327.7622 5.789344 
5.483459       9.739496 
1 1 1 -11 18 4  o 111.0650 5.716941 125.9534       12.86817  121.3604       
20.83286  128.7869       16.36288  108.6008 9.529649 112.1729 7.211542 
-3.572090      11.95076 
1 1 1 -11 18 5  o 437.2343 5.262056 1946.331       46.78655  1979.517       
80.18285  1929.199       57.61079  440.4020 8.953251 435.1551 6.510410 
5.246887       11.07006 
1 1 1 -11 18 6  o 162.8970 4.835555 270.1006       16.01810  277.5202       
25.95965  265.5388       20.35509  164.9778 7.737878 161.4585 6.199556 
3.519318       9.915102 
1 1 1 -11 18 7  o 332.4069 4.740636 1124.690       32.04484  1112.236       
53.07644  1131.833       40.19801  330.2429 7.903452 333.3588 5.929816 
-3.115906      9.880651 
1 1 1 -11 18 8  o 250.3502 5.579834 638.2697       28.40669  591.9310       
36.88703  705.8002       44.52992  240.9350 7.528741 263.0063 8.325962 
-22.07129      11.22513 
1 1 1 -11 18 9  o 137.9638 4.942951 193.7912       13.86765  191.2387       
19.20541  196.5718       20.04517  136.7897 6.926870 138.6676 7.132744 
-1.877884      9.942715 
1 1 1 -11 18 10 o 134.0874 4.986067 183.0838       13.59558  176.0690       
18.73759  190.8827       19.75699  131.2076 7.048508 136.6213 7.136097 
-5.413681      10.03022 
1 1 1 -11 18 11 o 323.7338 4.291976 1066.942       28.25509  1074.805       
39.87552  1059.012       40.04247  324.7258 6.038626 322.3218 6.109135 
2.403961       8.589909 
1 1 1 -11 18 12 o 234.6646 4.271522 560.6947       20.38363  588.8474       
29.15392  533.7711       28.51046  240.3235 5.965535 228.7913 6.127923 
11.53215       8.552137 
1 1 1 -11 18 13 o 157.3650 4.871126 252.3097       15.58794  235.9572       
21.55560  270.2354       22.56864  152.0157 6.973010 162.6980 6.821370 
-10.68233      9.754688 
1 1 1 -11 18 14 o 74.34748 11.68079 58.27274       17.07769  58.27274       
17.07769  0.000000       0.000000  74.34748 11.68079 ?        ?        
0.000000       11.68079 
1 1 1 -11 18 15 o 129.9180 5.595058 172.2056       14.78174  160.0443       
20.45205  185.5061       21.38844  124.7552 8.105652 134.3934 7.860421 
-9.638161      11.29105 
1 1 1 -11 18 16 o 157.7404 5.975181 254.0785       19.16661  256.8156       
23.53185  248.6839       33.03627  158.4203 7.304554 155.0143 10.54280 
3.406006       12.82604 
1 1 1 -11 18 17 o 314.5446 5.399118 1009.853       34.53476  980.4952       
41.40689  1076.944       62.59555  309.6512 6.575798 323.5188 9.514643 
-13.86758      11.56588 
1 1 1 -11 18 18 o 137.1238 6.088787 192.2229       16.97833  227.3254       
23.75092  155.5396       24.27979  148.6441 7.885649 122.4386 9.834562 
26.20549       12.60564 
1 1 1 -11 18 19 o 172.1972 6.418214 303.4918       22.47459  356.8634       
39.22051  277.3982       27.42364  185.4429 10.44295 164.2843 8.208763 
21.15862       13.28303 
1 1 1 -11 18 20 o 58.08915 13.78233 36.78636       16.03530  33.03737       
22.56510  40.61087       22.79127  55.70774 17.71047 60.81511 17.49200 
-5.107365      24.89238 
1 1 1 -11 18 21 o 146.0260 6.726028 218.6661       19.97286  229.8514       
28.25973  207.5026       28.23208  148.8383 9.384940 141.2289 9.892786 
7.609375       13.63614 
1 1 1 -11 18 22 o 76.42525 13.50343 63.44145       20.21862  61.49965       
24.80250  67.28787       34.90778  74.09805 16.84214 76.17620 21.56202 
-2.078148      27.36016 
1 1 1 -11 18 23 o 97.39405 9.698218 99.98349       18.95227  109.7568       
26.96214  90.43816       26.64578  100.4905 13.53861 90.40960 15.02021 
10.08087       20.22129 
1 1 1 -11 18 24 o 65.93370 16.39819 50.64650       21.89478  41.84930       
27.05273  67.35041       37.27759  59.59924 19.43378 73.00523 22.70197 
-13.40600      29.88396 
1 1 1 -11 18 25 o 94.76749 11.42303 98.64284       21.56997  113.6417       
38.05075  91.54080       26.18335  94.82980 20.34154 88.96454 15.00693 
5.865265       25.27817 
1 1 1 -11 19 1  o 244.8025 5.061309 610.4018       25.19591  612.9852       
44.69291  609.1982       30.50570  244.8596 8.975735 244.4603 6.136508 
0.3993683      10.87293 
1 1 1 -11 19 2  o 379.7159 4.333605 1467.726       33.46259  1453.234       
47.16846  1482.410       47.47956  377.6149 6.142584 381.3897 6.121902 
-3.774811      8.672313 
1 1 1 -11 19 3  o 161.3853 4.320020 265.1024       14.17755  255.9498       
20.34964  273.7353       19.76338  158.4788 6.314430 163.9146 5.929145 
-5.435822      8.661800 
1 1 1 -11 19 4  o 264.0393 5.570394 710.0481       29.90927  0.000000       
0.000000  710.0481       29.90927  ?        ?        264.0393 5.570394 
0.000000       5.570394 
1 1 1 -11 19 5  f 252.1414 4.467885 647.0912       22.90855  631.5421       
37.82859  656.0960       28.78762  248.8590 7.475070 253.8155 5.577457 
-4.956451      9.326559 
1 1 1 -11 19 6  f 219.6879 4.448534 491.2295       19.87351  522.7963       
33.46658  474.0343       24.70019  226.4408 7.267838 215.7413 5.630092 
10.69942       9.193444 
1 1 1 -11 19 7  o 19.98657 9.368681 -9.892039      9.590548  2.932621       
13.25343  -23.98941      13.89551  31.25016 12.88773 21.14948 10.27055 
10.10068       16.47962 
1 1 1 -11 19 8  o 254.3981 4.680068 658.8508       24.21127  646.3270       
28.99901  687.6677       43.98836  251.8965 5.661214 259.5536 8.334109 
-7.657135      10.07505 
1 1 1 -11 19 9  o 147.2214 4.664903 220.6675       13.96578  237.8017       
19.67495  203.2672       19.82712  152.7451 6.334247 141.1866 6.905809 
11.55844       9.370852 
1 1 1 -11 19 10 o 224.7227 4.190467 514.0724       19.14964  513.9730       
26.67165  514.1783       27.51124  224.5769 5.840275 224.6055 6.023353 
-0.2859497E-01 8.389851 
1 1 1 -11 19 11 o 223.4789 4.216299 508.4762       19.16105  517.4837       
27.13318  499.5156       27.06259  225.3043 5.922154 221.3494 6.012286 
3.954956       8.439164 
1 1 1 -11 19 12 o 294.6566 4.296583 884.1457       25.74488  871.2913       
35.69233  898.0865       37.17012  292.2921 6.004909 296.7292 6.160021 
-4.437134      8.602604 
1 1 1 -11 19 13 o 136.7800 5.238996 190.7152       14.57210  196.9515       
20.35642  184.1608       20.86926  138.6492 7.245080 133.9930 7.691247 
4.656174       10.56629 
1 1 1 -11 19 14 o 201.2605 4.508228 412.7284       18.45082  437.9509       
26.00314  387.1527       26.18462  207.1260 6.173619 194.6862 6.613930 
12.43977       9.047522 
1 1 1 -11 19 15 o 113.5117 6.127913 131.9592       14.09265  128.5638       
19.86398  135.4002       19.99673  111.6046 8.824487 114.5847 8.645516 
-2.980042      12.35381 
1 1 1 -11 19 16 o 136.2280 6.426312 189.6810       17.80244  189.4704       
21.78183  190.1048       30.89616  135.7425 7.925355 135.1852 11.34378 
0.5572815      13.83808 
1 1 1 -11 19 17 o 119.9970 7.343949 148.0490       17.83431  150.3530       
21.50014  142.9668       31.93194  120.6369 8.825403 116.3047 13.76858 
4.332153       16.35425 
1 1 1 -11 19 18 o 80.70470 9.041110 67.86427       14.58293  62.40751       
19.92880  74.15412       21.39603  76.27953 13.33299 83.39269 13.04437 
-7.113167      18.65273 
1 1 1 -11 19 19 o 38.61950 14.26169 12.65941       14.80329  22.27617       
21.40594  3.844697       20.49387  48.48287 17.25252 37.87405 15.85585 
10.60882       23.43197 
1 1 1 -11 19 20 o 143.9708 6.494717 212.3437       19.01455  201.1622       
27.25113  222.9524       26.54410  139.1717 9.689459 146.7733 8.935981 
-7.601624      13.18095 
1 1 1 -11 19 21 o 105.0709 10.43629 115.7386       22.00370  106.9372       
39.06849  119.8273       26.62870  97.06693 20.43867 106.2274 12.57093 
-9.160461      23.99516 
1 1 1 -11 19 22 o 85.68812 12.22998 78.73122       20.70605  84.96020       
26.04621  68.03443       34.13211  87.96149 15.10549 76.40102 21.21473 
11.56048       26.04305 
1 1 1 -11 19 23 o 35.55201 14.79978 4.918657       17.71217  7.908742       
25.91393  2.297012       24.26489  42.60764 17.83294 39.25420 16.87195 
3.353439       24.54947 
1 1 1 -11 19 24 o 40.78996 15.45015 15.16461       17.60328  3.394235       
24.78865  27.13875       25.00231  39.37444 16.98873 50.56862 18.55703 
-11.19418      25.15910 
1 1 1 -11 19 25 o 41.29190 16.30761 14.94106       20.23150  66.57742       
34.25131  -12.72901      25.07290  70.57416 21.73058 33.60891 15.54814 
36.96525       26.72008 
1 1 1 -11 20 1  o 90.78296 6.591321 84.51335       12.08528  60.11239       
26.15906  91.13464       13.62667  74.57162 17.54354 94.22053 7.165724 
-19.64890      18.95055 
1 1 1 -11 20 2  o 357.6059 4.212296 1301.854       30.63198  1342.578       
44.36382  1264.748       42.34684  362.9261 6.011174 352.2640 5.911549 
10.66205       8.430932 
1 1 1 -11 20 3  o 226.8994 4.664642 524.1940       21.52302  499.9134       
40.36653  533.8386       25.44105  221.1674 8.975297 228.9180 5.465168 
-7.750610      10.50828 
1 1 1 -11 20 4  o 156.9852 5.066588 250.9658       16.17431  267.4479       
31.73124  245.1801       18.80001  161.4363 9.710904 155.1189 5.959940 
6.317398       11.39397 
1 1 1 -11 20 5  o 165.4500 5.102733 278.7535       17.16805  260.0761       
33.30434  285.5129       20.03518  159.1020 10.35006 167.4016 5.885482 
-8.299591      11.90641 
1 1 1 -11 20 6  o 101.2418 6.831295 104.9749       13.98192  115.3959       
28.46055  101.6597       16.05263  105.1114 13.63634 99.48670 8.002378 
5.624741       15.81101 
1 1 1 -11 20 7  o 161.1166 4.305110 264.2327       14.10509  254.4530       
19.51198  274.9373       20.41379  158.0197 6.072095 164.2548 6.111588 
-6.235077      8.615211 
1 1 1 -11 20 8  o 320.5906 4.171995 1046.163       27.19856  1013.119       
37.55392  1082.619       39.44486  315.3191 5.856708 325.9437 5.951088 
-10.62460      8.349640 
1 1 1 -11 20 9  o 267.6043 4.777205 729.2524       25.99671  705.8158       
30.76311  787.7988       48.62202  263.1783 5.748159 277.6580 8.611355 
-14.47968      10.35359 
1 1 1 -11 20 10 o 130.9117 5.006371 174.5756       13.32763  170.7728       
18.56104  178.6231       19.14894  129.1648 7.093706 132.1016 7.154966 
-2.936813      10.07543 
1 1 1 -11 20 11 o 154.6272 4.606629 243.5275       14.48507  254.6715       
20.02826  231.3057       20.97446  158.0117 6.233078 150.5389 6.851580 
7.472778       9.262581 
1 1 1 -11 20 12 o 109.1854 5.879066 121.9446       13.00533  138.1297       
18.23193  105.1773       18.55699  115.9800 7.775339 100.9193 9.141591 
15.06073       12.00102 
1 1 1 -11 20 13 o 62.28984 9.474217 40.69075       11.62259  35.01600       
16.04592  46.95428       16.85778  57.01221 13.95352 66.29665 12.96877 
-9.284431      19.04967 
1 1 1 -11 20 14 o 57.76843 10.50337 35.38343       11.88421  26.15246       
16.30258  45.85182       17.36091  49.78939 14.92311 65.33538 13.51290 
-15.54599      20.13200 
1 1 1 -11 20 15 o 76.08543 8.655035 60.14711       13.15296  82.15879       
18.25259  36.37027       18.97034  88.74019 10.30665 57.96235 15.70428 
30.77784       18.78434 
1 1 1 -11 20 16 o 247.8563 5.281314 626.9669       26.61910  670.6478       
33.09581  546.9390       44.79688  256.1313 6.354172 230.5221 9.556166 
25.60916       11.47588 
1 1 1 -11 20 17 o 64.66665 11.00512 44.41847       13.95354  51.33702       
19.18604  36.65013       20.33021  68.86193 14.17357 58.07604 16.46077 
10.78589       21.72203 
1 1 1 -11 20 18 o 87.71958 8.561292 79.89494       15.07702  52.16986       
20.69882  111.2306       22.00536  69.09677 15.14870 103.1274 10.64626 
-34.03060      18.51556 
1 1 1 -11 20 19 o 147.0680 6.160580 221.3863       18.42431  265.7726       
27.09245  183.1977       25.12991  160.4897 8.330009 132.8949 9.358659 
27.59482       12.52891 
1 1 1 -11 20 20 o 56.38384 13.83719 34.76008       15.74714  24.24547       
21.97569  45.85706       22.57608  49.79320 17.50549 64.28123 17.00735 
-14.48803      24.40680 
1 1 1 -11 20 21 o 128.5440 8.515799 171.3034       22.13409  160.0509       
40.20584  176.1968       26.51353  120.9520 16.80017 129.8677 10.11945 
-8.915718      19.61247 
1 1 1 -11 20 22 o 43.86102 16.28123 17.29885       19.34206  16.26149       
24.48647  19.02009       31.54151  45.97545 18.00811 50.72948 20.25801 
-4.754025      27.10496 
1 1 1 -11 20 23 o 112.9483 8.972027 134.0451       20.43757  129.5305       
28.39359  138.8990       29.44104  109.0954 13.05809 113.0186 13.04998 
-3.923141      18.46119 
1 1 1 -11 20 24 o 24.26477 11.79273 -28.63200      18.41662  -19.34349      
26.66010  -37.11020      25.47068  33.41571 15.64974 28.61859 13.89941 
4.797125       20.93103 
1 1 1 -11 21 1  o 324.9248 4.181032 1075.052       27.62598  974.5674       
55.83361  1107.628       31.79011  308.5632 8.898158 329.7412 4.740971 
-21.17804      10.08236 
1 1 1 -11 21 2  o 135.0513 5.390188 185.8616       14.80315  170.3211       
29.91891  190.8991       17.03428  128.2564 11.59681 136.8249 6.122195 
-8.568527      13.11363 
1 1 1 -11 21 3  o 299.9187 4.727472 916.0552       28.83261  881.1888       
52.34837  931.2384       34.54463  293.5850 8.768351 302.2945 5.619516 
-8.709473      10.41455 
1 1 1 -11 21 4  o 281.0490 4.686189 804.3259       26.78263  741.3862       
47.61225  833.4603       32.39365  269.3402 8.692926 286.0061 5.569716 
-16.66586      10.32418 
1 1 1 -11 21 5  o 146.1742 5.380630 217.6669       15.99394  203.8444       
31.82674  222.3369       18.49953  140.5707 11.22754 147.6902 6.159671 
-7.119492      12.80622 
1 1 1 -11 21 6  o 65.20713 9.683018 44.43011       12.44982  64.96177       
24.79284  37.50721       14.39655  77.87167 16.18477 59.36306 12.32897 
18.50861       20.34577 
1 1 1 -11 21 7  o 84.12028 6.146066 72.51398       10.44077  64.34367       
14.35378  81.69386       15.21478  78.81184 9.124982 89.01925 8.508483 
-10.20741      12.47636 
1 1 1 -11 21 8  o 118.9989 4.984104 144.2336       12.06094  142.8738       
16.54910  145.7741       17.61418  118.1405 6.918674 119.2928 7.296075 
-1.152267      10.05489 
1 1 1 -11 21 9  o 124.8168 5.736894 158.7973       14.56134  147.1836       
17.17919  188.4328       27.44259  119.8818 7.078291 135.2563 10.04916 
-15.37456      12.29178 
1 1 1 -11 21 10 o 105.6755 5.748960 114.1875       12.30773  121.0962       
17.03099  106.6353       17.80642  108.5917 7.763644 101.7307 8.690816 
6.860939       11.65352 
1 1 1 -11 21 11 o 242.8586 4.161656 600.6249       20.55281  609.6324       
28.71748  591.1664       29.42764  244.4971 5.775920 240.7358 6.011230 
3.761307       8.336434 
1 1 1 -11 21 12 o 113.8814 5.588516 132.2722       12.94197  133.9374       
18.26292  130.5924       18.34277  114.1502 7.916518 112.6866 8.057793 
1.463570       11.29599 
1 1 1 -11 21 13 f 168.2117 4.667923 288.3820       15.96729  315.4085       
22.60760  261.4816       22.55481  175.7426 6.325953 159.9448 6.934542 
15.79782       9.386456 
1 1 1 -11 21 14 o 156.3912 4.930694 249.4098       15.68093  254.7573       
21.91596  243.8006       22.44588  157.8479 6.827636 154.3746 7.150055 
3.473267       9.886350 
1 1 1 -11 21 15 o 214.2321 5.427302 468.4450       23.64395  522.6864       
44.15250  446.6364       27.99655  225.3683 9.634098 208.9964 6.587402 
16.37186       11.67089 
1 1 1 -11 21 16 o 98.04585 9.732176 99.99093       19.14759  99.99093       
19.14759  0.000000       0.000000  98.04585 9.732176 ?        ?        
0.000000       9.732176 
1 1 1 -11 21 17 o 170.9227 5.199943 298.3019       18.07381  290.4392       
25.08223  306.7939       26.06662  168.3054 7.328528 172.9628 7.411066 
-4.657410      10.42263 
1 1 1 -11 21 18 o 57.25462 14.15491 35.79225       16.38715  47.51880       
26.92927  28.89627       20.65084  65.52455 19.06234 52.49172 16.96962 
13.03283       25.52138 
1 1 1 -11 21 19 o 146.3072 6.159674 219.1672       18.32630  209.0032       
25.93173  229.3086       25.90289  142.0376 9.024774 148.9296 8.589390 
-6.891998      12.45890 
1 1 1 -11 21 20 o 123.5666 10.39492 159.5949       25.87736  159.5949       
25.87736  0.000000       0.000000  123.5666 10.39492 ?        ?        
0.000000       10.39492 
1 1 1 -11 21 21 o 33.15853 14.64810 -4.321121      19.39384  40.28668       
36.84656  -21.41447      22.80894  62.49835 22.58930 30.68645 14.40460 
31.81190       26.79121 
1 1 1 -11 21 22 f 32.30358 14.39055 -5.326066      19.10877  -3.835379      
24.20707  -7.790854      31.12711  37.08036 16.37367 40.71428 18.23506 
-3.633919      24.50744 
1 1 1 -11 21 23 o 71.69332 13.36692 57.19707       18.77082  35.43824       
26.05998  80.65816       27.06015  55.99789 19.09221 83.81671 16.46365 
-27.81882      25.21040 
1 1 1 -11 21 24 o 57.14386 15.53553 38.52344       18.52749  36.81379       
26.65412  40.12178       25.77182  55.58216 19.29366 57.48632 18.97900 
-1.904163      27.06377 
1 1 1 -11 22 1  o 341.6922 4.206799 1189.083       29.23063  1173.410       
61.04373  1193.746       33.29616  338.4677 8.868955 342.2784 4.783692 
-3.810638      10.07681 
1 1 1 -11 22 2  o 257.4016 4.586919 674.8851       24.00954  675.3301       
46.32422  674.7217       28.07467  256.8515 8.868998 257.2848 5.365981 
-0.4332581     10.36595 
1 1 1 -11 22 3  o 254.7873 3.890706 660.8503       20.15847  679.4387       
29.64425  644.8610       27.49381  258.1729 5.646488 251.5478 5.374809 
6.625076       7.795601 
1 1 1 -11 22 4  o 88.67344 5.670019 80.46881       10.17069  77.14609       
14.46323  83.71929       14.30512  86.48402 8.326812 90.18858 7.878986 
-3.704552      11.46360 
1 1 1 -11 22 5  o 316.5801 4.030677 1020.263       25.94855  1026.653       
36.75946  1013.916       36.63444  317.3795 5.695591 315.4025 5.711801 
1.977020       8.066252 
1 1 1 -11 22 6  o 181.6435 4.869755 336.0645       17.98782  264.4488       
33.62727  364.7701       21.28977  160.3087 10.37089 189.1940 5.533655 
-28.88528      11.75486 
1 1 1 -11 22 7  o 260.7637 4.737829 692.5510       25.12337  655.3257       
45.31911  709.0668       30.18646  253.1336 8.804003 263.7629 5.627907 
-10.62933      10.44911 
1 1 1 -11 22 8  o 334.6230 4.174895 1140.066       28.40879  1088.623       
39.03336  1198.008       41.42546  326.7664 5.874177 342.7792 5.942941 
-16.01282      8.356106 
1 1 1 -11 22 9  o 80.01171 7.774402 66.03010       12.48975  56.43936       
14.80135  89.74525       23.27491  73.50638 10.17489 92.49644 12.70994 
-18.99007      16.28100 
1 1 1 -11 22 10 o 374.5353 4.433117 1428.824       33.76396  1511.660       
49.12341  1354.649       46.48467  384.8961 6.276153 364.3598 6.273759 
20.53632       8.874128 
1 1 1 -11 22 11 o 245.8045 4.171104 615.3817       20.84934  631.2399       
29.28666  599.0855       29.68828  248.7544 5.789587 242.3029 6.025248 
6.451492       8.356011 
1 1 1 -11 22 12 o 117.4267 5.543262 140.6671       13.23682  114.5900       
17.76353  173.2265       19.84898  105.4414 8.352862 129.9120 7.545928 
-24.47056      11.25661 
1 1 1 -11 22 13 o 135.8370 5.231908 188.2174       14.45206  182.7918       
20.06553  194.0658       20.83263  133.4445 7.423695 137.5008 7.478658 
-4.056381      10.53763 
1 1 1 -11 22 14 o 173.8656 4.841056 308.2870       17.11612  307.2609       
23.74076  309.3976       24.69940  173.3327 6.735388 173.8964 6.984646 
-0.5636597     9.703130 
1 1 1 -11 22 15 f 96.37466 8.456648 96.08511       16.40591  79.93425       
29.23646  103.5082       19.82067  85.47855 17.41096 99.74857 9.902348 
-14.27002      20.02993 
1 1 1 -11 22 16 o 125.5139 7.198061 161.9540       18.29535  177.9431       
21.79763  123.8399       33.65427  131.3751 8.200119 107.3007 15.90524 
24.07438       17.89465 
1 1 1 -11 22 17 o 53.28667 12.79476 30.80394       13.68950  20.84139       
18.70577  42.29295       20.08776  46.38830 16.15950 62.04403 15.86056 
-15.65573      22.64259 
1 1 1 -11 22 18 o 96.51437 8.873508 96.83447       17.22056  107.9650       
27.74230  89.85748       21.96439  100.4346 13.96095 92.09892 12.01385 
8.335670       18.41849 
1 1 1 -11 22 19 o 40.64816 14.44891 15.42430       15.01022  17.56098       
20.95150  13.17113       21.51503  45.26936 16.91713 43.13988 16.88492 
2.129482       23.90167 
1 1 1 -11 22 20 o 29.65608 13.12253 -4.169467      15.62756  -36.38712      
22.03883  28.41253       22.16310  26.54795 12.90191 52.31439 17.60807 
-25.76644      21.82896 
1 1 1 -11 22 21 o 132.1698 8.440947 181.4092       22.56845  217.2962       
42.38704  167.2103       26.66187  141.7167 14.93301 126.1509 10.48827 
15.56575       18.24825 
1 1 1 -11 22 22 o 31.65351 14.12266 -5.316803      18.48020  -8.915810      
23.98983  -0.6399110E-01 28.98222  35.05652 15.82818 41.59167 18.15367 
-6.535145      24.08499 
1 1 1 -11 22 23 o 37.70472 15.33058 8.827554       18.42419  28.72158       
25.48543  -12.95249      26.66613  51.72847 18.77286 35.37344 16.24489 
16.35502       24.82573 
1 1 1 -11 22 24 f 83.85423 11.37391 77.59833       18.89432  66.48196       
26.58951  88.93666       26.85366  73.41295 17.95875 86.94726 15.76853 
-13.53431      23.89903 
1 1 1 -11 23 1  o 34.09049 11.33501 11.35868       9.186715  7.296239       
20.60434  12.36665       10.26333  39.95990 16.22567 35.70152 11.98248 
4.258373       20.17058 
1 1 1 -11 23 2  o 125.6752 5.368263 161.0346       13.71939  173.9591       
28.43646  157.1135       15.66284  129.6248 10.88876 123.9213 6.235389 
5.703491       12.54771 
1 1 1 -11 23 3  o 269.6225 3.864421 740.1447       21.18810  756.7892       
30.40451  724.4299       29.54305  272.4516 5.487787 266.5681 5.449990 
5.883514       7.734222 
1 1 1 -11 23 4  o 406.3227 4.417803 1681.473       36.50303  1654.569       
51.15939  1709.374       52.09960  402.7228 6.246944 409.3356 6.258977 
-6.612793      8.843026 
1 1 1 -11 23 5  o 147.2714 4.243296 220.8571       12.70788  214.4412       
17.94649  227.3092       17.99693  145.0013 6.086336 149.3004 5.927700 
-4.299042      8.495947 
1 1 1 -11 23 6  o 183.4815 3.997240 342.7550       14.91434  364.9485       
21.21569  321.0714       20.97057  189.2151 5.513785 177.4517 5.811372 
11.76347       8.010859 
1 1 1 -11 23 7  o 153.7039 5.280215 240.7786       16.50395  261.6005       
33.52865  234.1203       18.95998  159.3405 10.40469 151.4997 6.154242 
7.840836       12.08852 
1 1 1 -11 23 8  o 226.3894 4.010328 521.8541       18.46237  482.3732       
25.12863  568.1650       27.21553  217.5022 5.681379 236.0543 5.669614 
-18.55208      8.026368 
1 1 1 -11 23 9  o 67.04662 8.911177 46.83525       11.84868  51.11363       
13.72521  34.31921       23.47539  69.90260 9.935069 57.41840 18.04184 
12.48420       20.59644 
1 1 1 -11 23 10 o 136.6755 4.862583 190.3825       13.51479  186.9261       
18.59165  194.2557       19.68038  135.2808 6.758189 137.7021 7.051812 
-2.421356      9.767352 
1 1 1 -11 23 11 o 72.03326 7.596063 53.66480       10.95910  42.25052       
14.89261  67.14600       16.18493  62.95543 12.07211 80.20300 10.15083 
-17.24757      15.77261 
1 1 1 -11 23 12 o 45.02717 11.70116 21.71865       10.81203  21.05566       
14.29375  22.60530       16.52987  45.08858 14.06368 47.06237 15.17896 
-1.973782      20.69271 
1 1 1 -11 23 13 o 53.03437 10.87330 30.05533       11.33280  31.34926       
15.50365  28.57064       16.60721  53.86598 14.01839 51.68814 14.95030 
2.177837       20.49455 
1 1 1 -11 23 14 o 221.3104 4.457209 499.3533       20.05932  499.9909       
28.12121  498.6929       28.62174  221.1607 6.252802 220.8505 6.373034 
0.3101654      8.928220 
1 1 1 -11 23 15 o 163.7142 6.040529 273.9927       20.11003  300.2643       
36.73055  262.7465       24.03192  170.0971 10.67297 160.1066 7.381214 
9.990509       12.97670 
1 1 1 -11 23 16 o 174.3889 5.849675 310.9253       20.74445  308.2726       
25.20628  316.4931       36.51807  173.4082 7.148054 174.6392 10.32881 
-1.231049      12.56101 
1 1 1 -11 23 17 o 76.22083 9.592735 60.92701       14.53917  43.36060       
19.83261  81.33602       21.37713  62.76884 15.60452 87.47325 12.36217 
-24.70441      19.90790 
1 1 1 -11 23 18 o 91.79115 9.348091 87.94964       17.20566  52.37196       
27.31004  111.3648       22.15554  68.34200 18.97641 103.0082 10.73462 
-34.66618      21.80220 
1 1 1 -11 23 19 o 195.7075 5.377540 391.7102       21.40142  393.6338       
30.46536  389.8362       30.07086  195.6044 7.659074 194.6773 7.595898 
0.9271240      10.78699 
1 1 1 -11 23 20 o 38.18435 14.54872 11.47665       15.66703  1.614290       
22.29823  21.09225       22.01750  38.03694 16.25629 47.66113 17.42565 
-9.624191      23.83107 
1 1 1 -11 23 21 o 76.57031 13.70409 64.19371       20.55493  33.05099       
38.34383  76.75208       24.34916  59.16403 22.70835 83.40144 14.90379 
-24.23741      27.16233 
1 1 1 -11 23 22 o 85.85266 12.02770 79.87027       20.42212  79.18585       
26.61752  80.84973       31.84209  83.47708 16.26478 82.74842 19.28055 
0.7286606      25.22464 
1 1 1 -11 23 23 o 96.65984 11.44148 101.7406       22.05309  102.0927       
27.15514  101.0586       37.79467  95.00375 14.51671 89.72499 21.07308 
5.278763       25.58925 
1 1 1 -11 23 24 o 49.76282 16.02269 29.35846       18.42449  16.63264       
26.74611  40.85093       25.41701  44.73297 18.36156 57.08547 18.84796 
-12.35250      26.31335 
1 1 1 -11 24 1  o 218.7552 4.588861 487.7384       20.41337  495.4350       
39.21798  484.8782       23.90730  219.7716 8.775305 218.0128 5.392588 
1.758804       10.29980 
1 1 1 -11 24 2  f 144.1563 4.432281 211.7372       12.99309  241.5545       
30.68661  205.2239       14.34215  153.0231 9.914786 141.8836 4.970851 
11.13947       11.09109 
1 1 1 -11 24 3  o 84.03944 5.599177 72.35335       9.514052  66.00922       
13.60535  78.42444       13.30934  79.84086 8.510979 87.24984 7.576592 
-7.408981      11.39480 
1 1 1 -11 24 4  o 173.0618 3.904842 304.9719       13.74219  320.5518       
19.93964  290.8768       18.96571  177.2968 5.530506 168.8917 5.522165 
8.405106       7.815421 
1 1 1 -11 24 5  o 87.47877 5.534293 78.34156       9.794270  70.46012       
13.83027  86.27087       13.87220  82.56215 8.352455 91.56750 7.516239 
-9.005348      11.23643 
1 1 1 -11 24 6  o 226.7073 3.871998 523.3118       17.85057  515.4614       
24.99391  531.4852       25.50282  224.8443 5.466394 228.3093 5.493045 
-3.464935      7.749516 
1 1 1 -11 24 7  o 235.9415 4.729655 567.2219       22.69265  560.8499       
42.81971  569.7103       26.75945  233.9628 9.000062 236.3618 5.567348 
-2.399063      10.58284 
1 1 1 -11 24 8  o 257.3286 3.972136 674.3273       20.78565  679.5475       
29.02040  668.8282       29.78521  258.1354 5.528462 256.0644 5.720053 
2.071045       7.955055 
1 1 1 -11 24 9  f 26.61797 10.84105 2.822878       9.232960  4.535936       
12.33056  0.6365800      13.93001  31.19912 12.59264 30.51151 12.93835 
0.6876144      18.05479 
1 1 1 -11 24 10 o 188.8620 4.232094 363.3839       16.25367  334.5938       
21.79929  399.4258       24.39071  181.0557 5.920778 197.8020 6.063766 
-16.74625      8.474955 
1 1 1 -11 24 11 o 123.2974 5.063792 155.0400       12.69642  141.8981       
17.19149  170.8084       18.83123  117.5545 7.226571 129.0184 7.206339 
-11.46391      10.20562 
1 1 1 -11 24 12 o 156.2337 4.719988 248.8870       14.99571  258.0520       
20.66648  238.6959       21.79256  158.8962 6.395898 152.7402 7.016221 
6.155975       9.493938 
1 1 1 -11 24 13 o 199.0278 4.426998 403.8447       17.91738  417.9098       
25.13445  389.3122       25.54863  202.2186 6.112191 195.1225 6.438858 
7.096069       8.877938 
1 1 1 -11 24 14 o 294.9645 4.395467 887.1412       26.36490  865.1232       
36.79951  910.3621       37.79149  290.8681 6.221491 298.3743 6.228467 
-7.506195      8.803451 
1 1 1 -11 24 15 o 131.6456 7.013702 178.0795       18.70840  172.4853       
34.29060  180.4505       22.32355  127.8011 13.39339 132.2365 8.344374 
-4.435333      15.78010 
1 1 1 -11 24 16 o 324.7114 4.663981 1076.088       30.79681  1087.046       
43.20387  1064.768       43.91129  325.7778 6.521533 322.3574 6.698647 
3.420349       9.348918 
1 1 1 -11 24 17 o 237.8179 4.794338 577.5458       23.18594  559.6581       
32.13900  596.9595       33.48194  233.6077 6.765407 241.2489 6.824862 
-7.641220      9.609863 
1 1 1 -11 24 18 o 109.3710 7.493022 123.5547       16.56475  149.2729       
23.43097  97.85790       23.42122  119.6642 9.712663 95.95094 12.28567 
23.71323       15.66121 
1 1 1 -11 24 19 o 54.06405 13.92965 32.08808       15.40934  50.90836       
22.22533  14.66692       21.38325  67.58839 16.34882 43.74534 16.91303 
23.84305       23.52306 
1 1 1 -11 24 20 o 55.42848 14.33957 33.97408       16.28549  37.24830       
23.67810  31.03475       22.43451  58.05894 18.09949 53.82658 17.70453 
4.232361       25.31880 
1 1 1 -11 24 21 o 151.0737 7.884760 236.8544       24.13905  249.6119       
46.79662  232.2293       28.17706  150.9042 15.46829 148.9790 9.348145 
1.925140       18.07362 
1 1 1 -11 24 22 o 52.36806 16.50783 30.96994       19.63669  25.68747       
25.55617  38.58408       30.68227  50.43854 18.71633 58.43882 20.67013 
-8.000286      27.88468 
1 1 1 -11 24 23 o 61.06287 16.68493 44.67470       21.30721  39.17844       
26.87389  53.97824       34.96399  56.99152 19.38827 64.77297 22.11448 
-7.781448      29.41012 
1 1 1 -11 24 24 o 80.02836 11.99977 72.21174       18.92645  54.47909       
27.69479  87.75031       25.92488  64.41824 19.48274 85.80842 15.42417 
-21.39017      24.84919 
1 1 1 -11 25 1  o 43.47568 11.62328 20.22407       10.47435  36.17715       
22.92989  16.01744       11.77462  58.23598 17.75338 39.76025 12.80959 
18.47573       21.89219 
1 1 1 -11 25 2  o 156.7190 4.122485 250.2289       13.13809  197.2601       
28.22799  264.8760       14.84386  138.0944 10.12253 161.2071 4.528049 
-23.11275      11.08913 
1 1 1 -11 25 3  f 82.68056 6.748167 70.31850       11.24700  81.24768       
25.25068  67.61358       12.56192  87.21799 14.76369 80.91552 7.728343 
6.302475       16.66415 
1 1 1 -11 25 4  o 176.2978 3.813954 316.5140       13.67331  342.2752       
19.53117  291.7524       19.14847  183.2049 5.242515 169.1122 5.568110 
14.09273       7.647733 
1 1 1 -11 25 5  o 113.8723 4.555588 132.1303       10.54907  133.1489       
14.70031  131.0488       15.14698  114.0169 6.365655 113.0783 6.615948 
0.9386215      9.181087 
1 1 1 -11 25 6  o 51.16515 8.809357 27.57830       8.835093  11.04842       
11.80700  48.61140       13.31853  35.55112 12.79581 68.10747 9.906726 
-32.55635      16.18258 
1 1 1 -11 25 7  o 211.8370 3.903033 457.0105       16.81339  473.1385       
23.85514  441.0901       23.70108  215.3779 5.446647 207.9364 5.605135 
7.441513       7.815594 
1 1 1 -11 25 8  f 207.3710 4.870147 438.3726       20.53721  395.6409       
37.16874  457.1519       24.64013  196.3315 9.309713 211.6616 5.724656 
-15.33009      10.92897 
1 1 1 -11 25 9  o 189.4606 4.114651 365.6787       15.85270  351.0831       
21.42035  383.3539       23.57200  185.4788 5.679116 193.7768 5.981956 
-8.298019      8.248403 
1 1 1 -11 25 10 o 254.2816 4.724643 659.2115       24.43067  663.4647       
29.40806  649.7387       43.88877  254.9487 5.672338 251.6699 8.575722 
3.278793       10.28195 
1 1 1 -11 25 11 o 108.0802 8.073177 120.4218       17.61551  0.000000       
0.000000  120.4218       17.61551  ?        ?        108.0802 8.073177 
0.000000       8.073177 
1 1 1 -11 25 12 o 145.0024 4.919608 214.4977       14.50632  210.0373       
19.88205  219.5750       21.21258  143.2662 6.824425 146.4410 7.123271 
-3.174805      9.864773 
1 1 1 -11 25 13 o 54.79853 10.69464 32.07068       11.48975  41.12337       
15.68835  21.59757       16.87431  61.74979 12.90918 46.27516 15.36109 
15.47463       20.06515 
1 1 1 -11 25 14 o 119.0313 5.730599 144.8067       13.87115  141.8982       
19.33236  147.8929       19.91412  117.2454 8.159290 119.6918 8.231780 
-2.446426      11.59035 
1 1 1 -11 25 15 o 42.70832 15.98360 15.17184       18.71646  11.18992       
28.09579  18.34879       25.09571  46.41223 18.90806 48.05773 18.38880 
-1.645504      26.37542 
1 1 1 -11 25 16 o 87.66125 8.036355 79.70670       14.16630  77.11865       
19.95003  82.33889       20.11940  85.24485 11.82732 88.23190 11.48569 
-2.987053      16.48656 
1 1 1 -11 25 17 o 27.52993 12.19993 -3.993745      13.55657  1.568208       
19.19453  -9.529525      19.14932  35.61229 15.14776 31.05326 14.06997 
4.559027       20.67411 
1 1 1 -11 25 18 o 61.49651 12.02372 40.88703       14.49745  46.54764       
20.53709  35.26441       20.46806  64.75285 15.74813 56.61739 16.66139 
8.135456       22.92609 
1 1 1 -11 25 19 o 170.4545 5.773819 297.6532       20.01351  315.9467       
29.00314  281.0246       27.65192  174.9635 8.151664 164.9836 8.242010 
9.979858       11.59225 
1 1 1 -11 25 20 f 83.31326 10.14093 73.43119       16.82639  53.03339       
23.77980  93.88504       23.81245  68.38526 17.13492 93.33698 12.88978 
-24.95172      21.44183 
1 1 1 -11 25 21 o 88.01177 11.77272 83.47887       20.54225  101.4205       
39.67437  76.90714       24.01144  91.75137 21.61889 83.13313 14.74326 
8.618248       26.16753 
1 1 1 -11 25 22 o 54.23280 15.50791 33.86488       17.96261  28.06733       
25.82884  39.29523       24.99749  51.44324 18.86380 57.85145 18.66697 
-6.408207      26.53862 
1 1 1 -11 25 23 o 62.79029 16.55894 47.74864       21.44643  13.89866       
26.01546  119.5445       37.88803  43.54690 18.01608 97.47350 19.79032 
-53.92659      26.76258 
1 1 1 -11 25 24 o 83.01254 11.66076 77.69141       19.14154  72.70258       
27.69296  82.25545       26.48769  75.08588 18.30297 81.67700 16.51517 
-6.591125      24.65258 
1 1 1 -11 26 1  f 146.3093 4.988744 218.4100       14.84276  237.2756       
30.21247  212.4082       17.04101  151.4277 9.865229 144.1958 5.811540 
7.231918       11.44975 
1 1 1 -11 26 2  o 127.8847 4.528650 166.7345       11.77711  143.6885       
27.64181  171.8459       13.01778  117.2663 11.74963 129.7977 4.931949 
-12.53141      12.74276 
1 1 1 -11 26 3  o 289.4229 3.986837 853.3849       23.46458  838.6696       
50.64215  857.4077       26.47834  285.8540 8.711970 290.0275 4.489522 
-4.173492      9.800727 
1 1 1 -11 26 4  o 243.3998 3.749173 603.3826       18.55697  590.0649       
25.86199  617.5161       26.64246  240.4987 5.288076 246.0236 5.325325 
-5.524887      7.504854 
1 1 1 -11 26 5  o 91.36275 5.104731 85.39382       9.446111  104.1808       
13.35153  66.56573       13.36612  100.7607 6.551704 80.16705 8.320123 
20.59370       10.59006 
1 1 1 -11 26 6  o 60.56952 7.146260 38.03537       8.632566  29.86362       
11.78285  47.50401       12.68342  52.82420 11.31014 67.35233 9.526220 
-14.52813      14.78743 
1 1 1 -11 26 7  o 117.6168 4.715946 141.0264       11.27950  129.0065       
15.35036  155.1332       16.62955  112.1370 6.763248 123.0197 6.672397 
-10.88268      9.500653 
1 1 1 -11 26 8  o 95.07634 7.011719 92.95345       13.46086  108.2922       
26.32152  87.52116       15.66415  101.3707 13.07337 91.99899 8.467885 
9.371689       15.57621 
1 1 1 -11 26 9  o 75.18519 6.502785 58.20824       9.844335  39.73528       
12.85785  84.37605       15.30326  61.21331 10.71993 90.30810 8.430581 
-29.09478      13.63788 
1 1 1 -11 26 10 f 26.01138 11.23078 -1.031661      10.84818  -4.652905      
12.47312  10.21391       21.98046  26.08708 11.62347 42.26896 16.89992 
-16.18188      20.51127 
1 1 1 -11 26 11 o 41.95951 11.58759 18.80018       10.21336  29.71358       
13.58867  4.630201       15.48395  52.43283 12.84562 34.14444 13.98785 
18.28839       18.99131 
1 1 1 -11 26 12 o 91.24298 6.440512 85.58967       11.87335  84.61912       
16.22507  86.70865       17.42162  90.25927 8.958148 91.25364 9.528847 
-0.9943695     13.07851 
1 1 1 -11 26 13 o 177.1944 4.525634 320.2809       16.30726  318.6115       
22.83735  322.0177       23.29330  176.4527 6.364524 177.3767 6.457779 
-0.9239807     9.066978 
1 1 1 -11 26 14 o 86.07772 7.396042 76.57994       12.82044  78.90211       
17.94173  74.15722       18.32607  86.71780 10.38063 83.87021 11.01118 
2.847588       15.13287 
1 1 1 -11 26 15 o 153.3031 7.890723 242.3040       24.51567  264.6124       
37.38971  225.4807       32.46940  158.9621 11.64774 146.9311 10.94548 
12.03091       15.98353 
1 1 1 -11 26 16 o 34.05277 13.03967 8.636210       12.62489  -19.21067      
17.29016  40.43896       18.47750  26.04956 12.32416 60.56295 15.06524 
-34.51339      19.46398 
1 1 1 -11 26 17 o 122.4466 7.262381 154.6765       18.00253  153.2333       
28.94353  155.5871       22.99095  120.4000 11.98064 122.2429 9.318925 
-1.842987      15.17821 
1 1 1 -11 26 18 o 85.75977 8.789605 76.82156       15.11213  99.24991       
21.68352  55.63821       21.07310  96.85602 11.21668 70.98728 15.06436 
25.86874       18.78161 
1 1 1 -11 26 19 o 134.8708 6.635962 186.9336       18.20008  223.0139       
26.40091  154.2587       25.12412  146.4374 8.908082 121.2185 10.28947 
25.21894       13.60982 
1 1 1 -11 26 20 o 37.62688 14.59972 10.65408       15.97822  -22.92333      
23.10325  41.43958       22.12191  30.35938 14.32716 60.42401 17.18633 
-30.06463      22.37493 
1 1 1 -11 26 21 o 111.7882 9.771599 132.2289       21.99009  85.68582       
40.03106  152.3434       26.31626  82.81967 22.96708 119.4652 10.95457 
-36.64555      25.44581 
1 1 1 -11 26 22 o 55.83625 15.45631 36.37325       18.14717  44.06601       
26.16839  29.24630       25.18764  60.28695 19.06217 51.50691 18.66739 
8.780041       26.68029 
1 1 1 -11 26 23 o 60.27164 14.77382 43.23077       17.96718  20.57265       
24.81949  68.17892       26.04355  45.70780 18.05889 74.08251 17.55608 
-28.37471      25.18610 
1 1 1 -11 27 1  o 31.50430 11.11063 9.059351       8.858732  27.73478       
19.49938  4.202345       9.944196  51.51136 16.47273 28.37425 11.35913 
23.13710       20.00951 
1 1 1 -11 27 2  o 219.1109 3.844795 489.1913       17.13123  452.2560       
38.39456  498.3724       19.14235  209.6743 9.004780 221.1041 4.257427 
-11.42978      9.960509 
1 1 1 -11 27 3  o 306.9275 3.976696 959.9327       24.82045  880.3958       
51.40038  984.1185       28.34408  292.7545 8.633984 310.6777 4.486429 
-17.92316      9.730042 
1 1 1 -11 27 4  o 151.2742 3.832352 233.1317       11.78913  213.6858       
16.07389  255.7696       17.34303  144.6818 5.463307 158.2976 5.387650 
-13.61577      7.672972 
1 1 1 -11 27 5  o 111.6306 4.400015 127.0239       9.988239  126.3994       
13.81164  127.7087       14.46178  111.0561 6.139614 111.5937 6.399541 
-0.5375671     8.868426 
1 1 1 -11 27 6  o 48.10902 8.751186 24.48718       8.246012  23.96398       
11.42739  25.05559       11.91087  47.20951 11.90539 48.25413 12.14685 
-1.044624      17.00835 
1 1 1 -11 27 7  o 93.27158 5.322318 89.06969       10.05304  87.08246       
13.64583  91.42847       14.86681  91.93008 7.361210 94.12955 7.838018 
-2.199463      10.75276 
1 1 1 -11 27 8  o 105.9185 6.176754 115.0381       13.24632  116.6511       
24.64976  114.3832       15.70699  105.5377 11.68150 105.4275 7.372763 
0.1101837      13.81358 
1 1 1 -11 27 9  o 119.1087 4.797965 144.7108       11.62122  144.0596       
15.59558  145.5239       17.42615  118.5076 6.496243 118.9854 7.236423 
-0.4777908     9.724556 
1 1 1 -11 27 10 o 124.6393 5.757081 158.7189       14.59180  170.6124       
17.03150  125.8956       28.29367  128.9763 6.514780 109.2249 12.99339 
19.75147       14.53515 
1 1 1 -11 27 11 o 239.2416 4.183483 583.5256       20.35289  570.7759       
28.27701  597.2313       29.31788  236.3040 5.884520 241.7007 5.964900 
-5.396729      8.378998 
1 1 1 -11 27 12 o 117.4595 5.394458 140.9402       12.88509  116.3400       
17.56463  169.6034       18.95976  106.0853 8.205849 128.4014 7.291325 
-22.31610      10.97722 
1 1 1 -11 27 13 o 239.0521 4.328717 582.9066       21.04278  595.7857       
29.70912  569.9408       29.80911  241.3095 6.054301 235.9787 6.211905 
5.330811       8.674233 
1 1 1 -11 27 14 o 161.5466 4.943633 266.5379       16.24035  267.6075       
22.53700  265.3824       23.42326  161.5370 6.860768 160.8020 7.163156 
0.7349548      9.918716 
1 1 1 -11 27 15 o 67.83974 14.75974 50.52836       19.78270  31.67710       
28.77256  67.42976       27.24392  56.34592 20.00723 77.68060 17.64808 
-21.33467      26.67853 
1 1 1 -11 27 16 o 132.4928 5.976943 179.8437       16.10360  194.4739       
22.81541  165.3194       22.73266  137.0809 8.222635 126.1494 8.919120 
10.93155       12.13105 
1 1 1 -11 27 17 o 142.2495 6.764045 207.8636       19.56630  258.4744       
32.47930  179.0334       24.51374  157.2954 10.20925 131.1290 9.252416 
26.16641       13.77810 
1 1 1 -11 27 18 o 39.88118 14.23992 14.93410       14.59472  -11.41134      
20.71564  40.89851       20.56529  31.74014 14.47895 60.48127 16.33624 
-28.74113      21.82917 
1 1 1 -11 27 19 o 118.5956 7.570346 145.7284       18.16200  168.8246       
26.40233  124.9822       25.02304  126.6988 10.33761 108.4427 11.52376 
18.25603       15.48107 
1 1 1 -11 27 20 o 47.24638 15.21970 24.13729       16.62255  31.59477       
23.65286  16.85996       23.36544  53.83020 18.18989 45.33564 17.63708 
8.494560       25.33650 
1 1 1 -11 27 21 o 30.59916 13.97188 -9.602639      19.34856  -8.979402      
37.44589  -9.829641      22.59917  43.33302 19.65065 33.28735 15.16074 
10.04566       24.81927 
1 1 1 -11 27 22 o 99.40624 9.580212 106.0598       19.12625  107.7604       
27.40277  104.4443       26.70782  97.24333 14.28307 95.81969 14.13083 
1.423645       20.09195 
1 1 1 -11 27 23 o 102.1351 9.399915 113.0924       19.30407  110.5520       
27.00087  115.7486       27.60945  97.45761 14.02842 99.78002 13.99168 
-2.322411      19.81322 
1 1 1 -11 28 1  o 68.45084 6.495238 48.40107       8.932916  18.27606       
22.53140  54.01936       9.730317  46.67594 17.52359 72.31501 6.692677 
-25.63907      18.75815 
1 1 1 -11 28 2  o 77.52067 5.762535 61.75969       9.019168  44.92367       
23.02226  64.81205       9.802718  63.86975 17.29846 79.37033 6.120728 
-15.50058      18.34939 
1 1 1 -11 28 3  f 70.19939 6.415814 50.83327       9.057505  44.33118       
23.16719  52.00645       9.840765  63.52838 17.41424 70.93114 6.910204 
-7.402763      18.73517 
1 1 1 -11 28 4  o 151.1221 4.779790 232.9930       14.68887  227.3041       
29.93604  234.7970       16.85774  148.1043 9.998282 151.6273 5.467269 
-3.523026      11.39547 
1 1 1 -11 28 5  o 89.16587 4.961048 81.37610       8.959866  87.14118       
12.44993  75.18222       12.90463  92.03841 6.697850 85.31858 7.514609 
6.719833       10.06631 
1 1 1 -11 28 6  o 47.32021 8.737088 23.72846       8.097740  36.62090       
10.99028  8.416813       11.97712  58.91714 9.495866 33.50808 12.73166 
25.40907       15.88291 
1 1 1 -11 28 7  o 141.4863 4.213159 204.0663       12.12198  201.6228       
16.74200  206.7589       17.57443  140.4675 5.861114 142.2188 6.076771 
-1.751312      8.442737 
1 1 1 -11 28 8  f 57.88325 8.071702 35.03967       9.242460  39.93574       
12.55969  29.25673       13.64989  61.36329 10.43895 51.99522 12.95655 
9.368073       16.63863 
1 1 1 -11 28 9  o 36.67708 11.14285 14.02749       9.044282  15.47830       
11.99153  12.11331       13.77402  39.29306 12.94480 37.59570 13.77709 
1.697357       18.90439 
1 1 1 -11 28 10 o 78.28625 7.715671 63.49741       12.12348  69.67241       
14.26193  47.41218       23.01832  81.84110 8.703038 65.57124 17.08923 
16.26987       19.17771 
1 1 1 -11 28 11 o 35.72248 11.78160 12.73556       9.932253  0.9214557      
13.65662  26.00147       14.47143  30.22026 12.81257 49.10487 13.87731 
-18.88462      18.88761 
1 1 1 -11 28 12 o 60.44030 9.148415 38.49506       10.89243  14.97874       
14.48722  69.07664       16.52077  40.09761 14.20117 81.07584 10.24941 
-40.97823      17.51353 
1 1 1 -11 28 13 o 105.2691 6.119986 113.8320       13.04440  126.4121       
18.25185  100.6974       18.64972  110.5269 8.178654 98.27641 9.448387 
12.25050       12.49650 
1 1 1 -11 28 14 o 126.0801 6.486671 163.3968       16.57471  168.0863       
20.50685  154.5612       28.14824  127.5400 7.946291 121.1894 11.56207 
6.350594       14.02943 
1 1 1 -11 28 15 o 313.4801 5.418998 1005.439       34.54462  1059.442       
63.69392  982.9345       41.11718  319.5351 9.802299 309.5154 6.532655 
10.01978       11.77967 
1 1 1 -11 28 16 o 64.22633 10.90919 44.16990       13.73841  34.76754       
18.87444  54.76473       20.03561  56.06547 15.84986 70.58279 14.44552 
-14.51731      21.44507 
1 1 1 -11 28 17 o 40.94416 14.58892 15.87221       15.31127  28.01406       
24.97719  8.562777       19.37951  52.69537 18.64849 39.02516 15.77444 
13.67021       24.42538 
1 1 1 -11 28 18 o 121.1191 6.879204 151.4227       16.87358  154.3286       
23.58701  148.3769       24.14857  121.4207 9.631817 118.8788 10.08442 
2.541969       13.94516 
1 1 1 -11 28 19 o 76.08829 11.13061 62.09436       16.71288  38.82035       
23.28249  86.83575       24.00523  58.62265 17.89338 89.18433 13.67233 
-30.56168      22.51901 
1 1 1 -11 28 20 f 58.27261 13.93201 38.19139       16.28574  23.10756       
23.25604  52.70644       22.81336  48.41507 17.87626 67.55727 16.70086 
-19.14220      24.46383 
1 1 1 -11 28 21 o 116.8472 9.740791 145.4794       22.93444  137.9164       
42.60551  148.5649       27.21366  106.0530 20.49734 116.9987 11.59061 
-10.94574      23.54746 
1 1 1 -11 28 22 o 28.86998 13.50973 -14.55086      19.79764  -11.58753      
23.61971  -21.55000      36.30002  32.78684 15.14073 38.37016 18.06212 
-5.583317      23.56866 
1 1 1 -11 28 23 o 37.42017 15.76188 8.758114       20.45187  6.242796       
25.16893  13.64716       35.08975  38.89503 16.94859 45.51054 19.91661 
-6.615509      26.15198 
1 1 1 -11 29 1  o 141.5984 4.529000 204.6321       13.04104  235.0885       
29.80233  197.4191       14.50330  150.4326 9.795621 139.0065 5.130745 
11.42609       11.05797 
1 1 1 -11 29 2  o 86.03179 5.196419 75.88419       9.048393  40.90527       
23.40999  82.02775       9.810878  61.02328 17.77900 89.42727 5.420532 
-28.40399      18.58696 
1 1 1 -11 29 3  o 279.8711 3.853585 798.4055       21.93181  806.1386       
49.59312  796.5253       24.45292  279.7886 8.716455 279.4552 4.302958 
0.3334045      9.720702 
1 1 1 -11 29 4  o 90.93010 5.294052 84.73731       9.746842  57.93843       
24.39313  89.82891       10.63252  72.46053 16.86982 93.58686 5.612809 
-21.12633      17.77905 
1 1 1 -11 29 5  o 70.03607 5.525663 50.42479       7.805767  58.98602       
10.81211  41.10515       11.28085  75.53202 7.123402 62.53304 9.141125 
12.99899       11.58892 
1 1 1 -11 29 6  o 231.9312 3.724017 548.1521       17.56395  520.4468       
23.95966  580.3350       25.82325  225.7534 5.219091 238.3670 5.327377 
-12.61356      7.457872 
1 1 1 -11 29 7  o 150.8549 4.060679 232.0014       12.45689  219.5124       
17.14838  245.9544       18.12561  146.5430 5.754485 155.1194 5.746125 
-8.576431      8.132161 
1 1 1 -11 29 8  o 173.1791 4.049006 305.7573       14.25921  331.1871       
20.15654  280.2818       20.17460  180.0325 5.505714 165.5440 5.992942 
14.48848       8.138074 
1 1 1 -11 29 9  o 122.4178 5.919527 153.2715       14.73611  160.1092       
28.57723  150.7947       17.19913  123.6224 11.49953 121.0838 7.015102 
2.538582       13.47037 
1 1 1 -11 29 10 o 142.9278 4.602651 208.4730       13.37753  216.1676       
18.38750  199.8202       19.49874  145.3213 6.222174 139.6167 6.867805 
5.704636       9.267264 
1 1 1 -11 29 11 o 190.4300 4.299196 369.9488       16.64846  376.3466       
23.09595  363.0286       24.02019  191.7830 5.922079 188.2866 6.273437 
3.496429       8.627110 
1 1 1 -11 29 12 o 108.5448 5.749321 120.8787       12.64523  130.8269       
17.46518  109.9180       18.33243  112.5512 7.676641 102.8477 8.851686 
9.703468       11.71679 
1 1 1 -11 29 13 o 125.2794 5.573582 160.5794       14.19925  151.8625       
19.68653  170.0313       20.49969  121.1708 8.035089 128.2793 7.896863 
-7.108521      11.26602 
1 1 1 -11 29 14 o 50.53019 13.38465 27.91672       13.97217  36.13670       
17.09421  11.37161       24.25205  57.23857 14.63056 43.79993 17.66677 
13.43864       22.93835 
1 1 1 -11 29 15 o 62.00815 10.86565 41.23232       13.20172  49.17709       
18.60570  33.17669       18.73507  66.88597 14.12233 54.85145 15.88326 
12.03452       21.25366 
1 1 1 -11 29 16 o 129.9387 8.878338 175.7190       23.31920  0.000000       
0.000000  175.7190       23.31920  ?        ?        129.9387 8.878338 
0.000000       8.878338 
1 1 1 -11 29 17 o 73.24490 10.25507 56.99189       14.85574  65.61824       
20.73079  47.88608       21.29911  77.53260 13.64701 65.27946 16.13667 
12.25314       21.13369 
1 1 1 -11 29 18 o 49.16797 15.90183 25.99273       18.13231  50.95879       
21.94816  -27.67733      32.18023  67.14930 16.24900 36.36313 17.08224 
30.78617       23.57611 
1 1 1 -11 29 19 o 164.1835 7.209627 278.6163       24.07098  286.2029       
29.52882  263.5900       41.55737  165.5280 8.804150 156.2707 13.20086 
9.257324       15.86744 
1 1 1 -11 29 20 o 78.93426 13.02634 68.92513       20.17985  58.16702       
24.84683  89.77319       34.58884  70.31669 17.45721 86.05421 20.12491 
-15.73753      26.64144 
1 1 1 -11 29 21 o 27.29997 12.90062 -17.82142      18.84558  7.246876       
36.98303  -26.61389      21.90258  46.60411 20.41969 27.79324 13.34638 
18.81087       24.39445 
1 1 1 -11 29 22 f 47.97349 17.34869 26.79104       21.73745  22.62055       
26.10880  36.21299       39.24311  46.76225 18.50724 55.06394 22.37980 
-8.301693      29.04089 
1 1 1 -11 29 23 o 79.34778 11.74844 72.11416       18.38392  99.85960       
26.75865  47.31078       25.30020  90.57528 15.05651 58.97988 18.75336 
31.59540       24.04968 
1 1 1 -11 30 1  o 138.1627 4.055510 194.7300       11.39430  187.0397       
28.34550  196.2122       12.44397  133.7736 10.50433 138.6455 4.413688 
-4.871902      11.39393 
1 1 1 -11 30 2  o 85.26439 5.040986 74.53533       8.701621  76.52409       
24.35936  74.24443       9.316304  83.90992 14.81763 85.04343 5.415238 
-1.133507      15.77615 
1 1 1 -11 30 3  o 194.0025 3.748784 383.6761       14.78936  355.4362       
34.37620  390.0902       16.38304  185.5490 9.110618 195.5648 4.119575 
-10.01578      9.998713 
1 1 1 -11 30 4  f 73.86550 5.918379 56.17737       8.815219  41.55911       
23.61107  58.54506       9.502332  61.42937 17.84310 75.36168 6.257110 
-13.93230      18.90840 
1 1 1 -11 30 5  o 101.0470 4.272676 104.1527       8.779597  92.84531       
11.63481  119.1060       13.37970  95.06187 6.050151 107.7021 6.134394 
-12.64024      8.615981 
1 1 1 -11 30 6  o 115.6027 4.231836 136.3093       9.948289  149.0832       
13.70760  122.0935       14.46058  120.7578 5.582067 108.9766 6.555819 
11.78120       8.610356 
1 1 1 -11 30 7  f 128.3249 4.221077 167.9617       11.01503  153.4708       
14.82114  185.8412       16.46314  122.4745 5.950923 134.7653 6.007351 
-12.29079      8.455871 
1 1 1 -11 30 8  o 87.63972 5.466354 78.81359       9.693474  77.52683       
13.02579  80.41064       14.51153  86.57555 7.471939 88.03252 8.200581 
-1.456963      11.09412 
1 1 1 -11 30 9  o 46.61221 12.29181 23.51532       11.81781  30.13473       
23.34243  21.23385       13.70389  53.94199 18.07090 44.80258 13.73704 
9.139408       22.69942 
1 1 1 -11 30 10 o 37.41430 13.32306 12.87710       12.76760  12.87710       
12.76760  0.000000       0.000000  37.41430 13.32306 ?        ?        
0.000000       13.32306 
1 1 1 -11 30 11 o 104.3083 5.719202 111.6671       12.08499  131.0308       
16.65028  90.10966       17.56816  112.7011 7.304438 92.87697 9.432688 
19.82412       11.93023 
1 1 1 -11 30 12 o 86.79318 6.978854 77.84858       12.21333  63.82003       
16.30014  95.80612       18.44201  77.66379 10.59763 95.70885 9.605135 
-18.04506      14.30274 
1 1 1 -11 30 13 o 45.16120 12.12559 22.13964       11.37031  23.12129       
15.49949  20.99578       16.73114  46.65693 14.65990 45.41105 15.29880 
1.245888       21.18882 
1 1 1 -11 30 14 o 262.6190 5.085654 705.4865       27.15967  708.3132       
33.66065  700.2131       45.97619  262.7232 6.300466 260.1404 8.691080 
2.582825       10.73456 
1 1 1 -11 30 15 o 45.46665 14.27344 22.04905       14.69666  17.26693       
17.86892  32.04743       25.83765  43.17574 15.71162 55.19969 19.00521 
-12.02395      24.65873 
1 1 1 -11 30 16 o 85.06789 11.14578 77.09486       18.81704  67.80085       
24.75213  89.82107       28.96414  77.83374 16.16686 89.73984 16.47899 
-11.90610      23.08516 
1 1 1 -11 30 17 o 109.5075 8.842073 125.2764       19.52225  151.2922       
23.58002  68.58608       34.80806  120.0776 9.740697 76.15601 21.52243 
43.92156       23.62406 
1 1 1 -11 30 18 o 93.69454 8.849839 92.11462       16.66200  80.16048       
23.34198  104.5339       23.79172  85.42147 13.91671 98.59573 12.12164 
-13.17426      18.45559 
1 1 1 -11 30 19 o 96.89575 9.078619 99.02991       17.68003  100.4451       
25.56546  97.73271       24.47674  95.58118 13.53119 94.48309 13.09112 
1.098083       18.82739 
1 1 1 -11 30 20 f 72.11295 11.89094 57.32254       16.82950  49.46143       
24.85469  63.97833       22.87000  64.11513 18.21028 74.36234 15.62061 
-10.24722      23.99204 
1 1 1 -11 30 21 o 73.93403 14.71794 63.89697       21.35008  72.83705       
39.68195  60.25466       25.32855  72.21069 23.53639 69.72545 17.80193 
2.485237       29.51052 
1 1 1 -11 30 22 o 38.41583 15.88674 11.04761       20.21731  33.57063       
25.43591  -27.59337      33.31639  51.61847 18.75130 34.64954 16.59142 
16.96893       25.03770 
1 1 1 -11 31 1  o 106.7146 4.395893 116.2794       9.539427  123.6590       
26.03629  115.1352       10.25236  107.9691 12.06473 106.1508 4.749515 
1.818306       12.96594 
1 1 1 -11 31 2  o 196.4933 3.680377 393.6848       14.70590  393.7666       
34.66543  393.6668       16.23961  195.2384 8.731322 196.4276 4.065572 
-1.189178      9.631453 
1 1 1 -11 31 3  o 63.85935 5.973150 42.12025       7.666643  15.05638       
20.39735  46.57270       8.273285  43.45058 16.58962 67.15195 6.125966 
-23.70137      17.68454 
1 1 1 -11 31 4  o 234.8940 3.681680 562.5049       17.58610  533.4136       
40.81093  569.1387       19.48832  227.3024 8.829193 236.2075 4.057226 
-8.905075      9.716776 
1 1 1 -11 31 5  o 217.4136 4.446086 482.4593       19.65695  473.2912       
38.74544  485.6369       22.81054  214.1097 8.898829 217.9868 5.145811 
-3.877151      10.27952 
1 1 1 -11 31 6  o 86.26713 4.879945 76.25547       8.525653  86.15656       
11.41888  63.78357       12.81587  91.51253 6.172144 78.29189 8.170056 
13.22063       10.23939 
1 1 1 -11 31 7  o 32.64193 10.16675 11.00090       7.472891  19.10531       
9.712526  -0.7578586     11.69909  42.09645 11.16357 27.07799 11.67718 
15.01847       16.15493 
1 1 1 -11 31 8  o 142.3893 4.218651 206.8663       12.21525  215.3228       
16.66687  197.0522       17.95489  145.0703 5.649680 138.6626 6.367545 
6.407745       8.512609 
1 1 1 -11 31 9  o 49.22208 12.29168 26.34836       12.26627  22.98909       
23.51246  27.60450       14.37789  49.58173 18.02579 50.32745 13.68701 
-0.7457199     22.63324 
1 1 1 -11 31 10 o 98.24599 7.585304 99.87711       15.03707  99.87711       
15.03707  0.000000       0.000000  98.24599 7.585304 ?        ?        
0.000000       7.585304 
1 1 1 -11 31 11 o 149.0805 5.236797 227.3100       15.87589  224.6747       
19.28223  232.8563       27.97298  147.9983 6.406917 149.6964 9.234246 
-1.698105      11.23921 
1 1 1 -11 31 12 o 58.60589 10.98024 36.94914       12.60507  42.61501       
15.22012  24.57719       22.49075  62.65923 12.38391 49.90957 17.69237 
12.74966       21.59586 
1 1 1 -11 31 13 o 228.6552 5.011271 534.7903       23.30131  537.2927       
29.10389  530.3224       38.88962  228.8089 6.254992 226.4580 8.444901 
2.350845       10.50910 
1 1 1 -11 31 14 o ?        ?        -53.87680      11.48420  -30.95960      
15.86918  -79.07584      16.64047  21.50411 10.55593 ?        ?        
0.000000       10.55593 
1 1 1 -11 31 15 o 87.63604 8.102591 80.08504       14.27624  101.0445       
20.05694  58.56155       20.32504  97.85313 10.23075 72.87206 14.22624 
24.98107       17.52297 
1 1 1 -11 31 16 o 77.27340 10.33910 63.49768       15.83938  48.12683       
24.98421  73.82737       20.48143  64.83789 18.20270 82.61055 12.59000 
-17.77266      22.13247 
1 1 1 -11 31 17 o 93.68577 9.689386 92.60226       18.19281  116.6060       
22.70815  49.58381       30.39974  104.7993 10.81070 65.37923 20.52896 
39.42012       23.20150 
1 1 1 -11 31 18 o 100.5389 8.441669 105.9014       17.09917  86.19151       
24.84269  123.6453       23.57115  88.18987 14.34561 107.6698 10.91645 
-19.47993      18.02680 
1 1 1 -11 31 19 o 115.2713 7.742840 138.9036       18.04449  147.6232       
26.82071  131.6930       24.38971  117.0258 11.41571 110.7164 10.97756 
6.309433       15.83747 
1 1 1 -11 31 20 o 24.62744 11.73871 -18.46793      16.27809  -41.95913      
24.31486  0.6121550      21.91338  26.73266 13.11116 36.01714 15.75116 
-9.284483      20.49394 
1 1 1 -11 31 21 o 64.83657 17.84784 53.36267       24.27546  0.000000       
0.000000  53.36267       24.27546  ?        ?        64.83657 17.84784 
0.000000       17.84784 
1 1 1 -11 31 22 o 30.19679 14.23252 -15.43096      22.66889  13.39870       
31.99163  -44.50348      32.12609  43.73155 19.08069 30.71282 15.06476 
13.01873       24.31089 
1 1 1 -11 32 1  o 81.15832 5.171940 67.66864       8.491217  70.51060       
24.28823  67.27293       9.063115  79.82774 15.52098 80.85719 5.545489 
-1.029442      16.48191 
1 1 1 -11 32 2  o 94.88599 4.451344 91.95970       8.589041  98.20481       
25.32637  91.14809       9.130110  95.51456 13.40861 94.31508 4.775970 
1.199478       14.23378 
1 1 1 -11 32 3  o 95.93060 4.270903 93.94850       8.331597  60.63122       
23.84575  98.58135       8.892014  73.77476 16.32663 98.25043 4.450556 
-24.47567      16.92236 
1 1 1 -11 32 4  o 110.4433 3.998294 124.4515       8.979774  165.0228       
26.81982  119.3290       9.529811  125.4627 10.61160 108.1138 4.334628 
17.34896       11.46277 
1 1 1 -11 32 5  o 137.9938 4.827254 194.5772       13.54601  182.1083       
28.74157  198.1377       15.35879  131.7863 10.82030 139.1599 5.427394 
-7.373642      12.10518 
1 1 1 -11 32 6  o 93.78269 4.670422 89.83962       8.906975  77.85413       
11.12192  111.2733       14.87304  86.91055 6.336632 103.8283 7.086552 
-16.91775      9.506426 
1 1 1 -11 32 7  o 81.65722 5.503695 68.53612       9.085731  57.60859       
11.18208  89.76720       15.58646  74.46888 7.485454 92.92106 8.337334 
-18.45218      11.20460 
1 1 1 -11 32 8  o 155.6939 4.448268 247.5185       14.08361  248.7244       
17.77395  245.4839       23.08652  155.8785 5.607205 154.4881 7.348726 
1.390381       9.243621 
1 1 1 -11 32 9  o 273.1577 4.073201 761.4258       22.62563  764.2836       
31.51606  758.3865       32.50165  273.2043 5.672741 272.0793 5.874333 
1.125092       8.166259 
1 1 1 -11 32 10 o 80.21608 6.607867 66.50553       10.68299  63.13688       
14.50629  70.49749       15.79146  77.49791 9.396961 81.87362 9.671549 
-4.375710      13.48487 
1 1 1 -11 32 11 o 82.15133 8.184153 70.35681       13.49025  76.21442       
15.45062  51.56756       27.67200  85.30968 9.044211 67.31504 19.24792 
17.99464       21.26688 
1 1 1 -11 32 12 o 74.51017 7.770236 57.88153       11.60018  50.80561       
15.54777  66.76624       17.42201  68.72362 11.53390 79.12919 11.13508 
-10.40557      16.03187 
1 1 1 -11 32 13 o 106.2236 6.978389 116.6590       14.99010  101.6575       
18.25091  147.7578       26.27783  98.50605 9.218273 118.2169 11.05948 
-19.71082      14.39752 
1 1 1 -11 32 14 o 84.89478 7.864067 75.11614       13.42206  96.91765       
19.09714  53.83414       18.86824  95.87741 9.939308 69.91693 13.76080 
25.96048       16.97496 
1 1 1 -11 32 15 o 121.8430 6.381931 153.0932       15.75764  148.8849       
21.94517  157.5723       22.64042  119.2862 9.115863 122.7280 9.137174 
-3.441750      12.90685 
1 1 1 -11 32 16 o 205.5963 5.057403 433.0456       21.14434  425.6700       
30.23336  440.1070       29.58249  203.0014 7.323792 206.5366 7.043466 
-3.535217      10.16112 
1 1 1 -11 32 17 o 23.49269 11.32174 -23.07568      16.09489  -6.852687      
20.35938  -50.10852      26.28118  32.68963 14.68673 27.38616 13.47148 
5.303467       19.92939 
1 1 1 -11 32 18 o 89.31721 10.82894 85.71555       19.26648  93.17072       
31.11729  81.08082       24.53492  89.47493 17.72885 84.98154 14.73125 
4.493385       23.05042 
1 1 1 -11 32 19 o 40.50372 15.43928 14.82791       17.64867  -6.645374      
29.47792  26.82564       22.03420  38.87158 17.54858 49.47221 17.51461 
-10.60063      24.79343 
1 1 1 -11 32 20 o 70.31576 12.41505 55.85581       17.10314  70.91629       
25.30600  43.19195       23.20530  76.58519 16.71813 59.06491 17.82714 
17.52028       24.43978 
1 1 1 -11 32 21 o 35.10630 15.17157 4.321819       19.83354  59.10959       
40.88204  -12.54227      22.68152  62.76786 23.59678 31.25939 14.57228 
31.50847       27.73372 
1 1 1 -11 32 22 o 23.52308 11.38237 -21.46125      16.67615  19.54428       
24.36452  -57.60102      22.87333  43.02347 17.57676 22.48192 11.29492 
20.54154       20.89301 
1 1 1 -11 33 1  o 88.21832 5.039279 79.91327       9.002711  46.92011       
25.30066  84.69627       9.633194  64.16066 18.42272 90.79271 5.239832 
-26.63205      19.15339 
1 1 1 -11 33 2  o 140.4160 3.965299 201.2678       11.32254  216.2572       
30.09523  198.7963       12.22039  143.5579 10.37900 139.5016 4.307790 
4.056305       11.23747 
1 1 1 -11 33 3  o 216.8086 3.827940 479.6485       16.87692  501.0009       
39.39858  474.8499       18.67729  219.9063 8.810315 215.6300 4.259447 
4.276352       9.785936 
1 1 1 -11 33 4  o 156.1423 4.400449 249.0336       13.97234  266.4626       
31.57140  244.7884       15.58131  159.8067 9.761919 154.7113 4.952569 
5.095413       10.94637 
1 1 1 -11 33 5  o 228.2019 3.627528 531.1238       16.83377  472.6924       
38.63183  544.8190       18.70277  213.6467 8.891964 231.0529 3.980551 
-17.40623      9.742269 
1 1 1 -11 33 6  o 132.1592 3.850806 178.2017       10.34905  172.7404       
13.91604  184.9597       15.48012  129.9240 5.267140 134.3733 5.665134 
-4.449234      7.735406 
1 1 1 -11 33 7  o 65.51957 5.927209 44.35590       7.811689  37.50039       
10.12852  54.42076       12.27242  59.63813 8.600206 72.07172 8.539726 
-12.43359      12.11984 
1 1 1 -11 33 8  o 270.0569 3.936375 744.2483       21.61739  730.9548       
30.25639  758.1105       30.89687  267.1469 5.569492 272.0586 5.584711 
-4.911713      7.887220 
1 1 1 -11 33 9  o 71.68531 6.802284 53.29007       9.797246  49.31520       
13.06158  58.40314       14.81410  68.24535 9.683352 74.26096 10.06957 
-6.015610      13.97010 
1 1 1 -11 33 10 o 181.8383 4.305613 337.7454       15.92105  344.7556       
22.24470  330.3829       22.79698  183.3288 5.966837 179.3905 6.249231 
3.938370       8.640372 
1 1 1 -11 33 11 f 161.5128 5.451189 267.2759       17.90398  276.0641       
21.01151  243.9812       34.20879  163.9362 6.302764 152.1175 11.13618 
11.81873       12.79607 
1 1 1 -11 33 12 o 42.52320 12.85964 19.44287       12.06618  18.48789       
14.68627  21.42644       21.16612  42.50638 14.33337 47.16786 17.10969 
-4.661484      22.32010 
1 1 1 -11 33 13 o 26.63079 11.76238 -3.035493      12.49996  1.608563       
15.01556  -13.51872      22.56007  31.61942 13.42200 32.53143 14.94055 
-0.9120007     20.08407 
1 1 1 -11 33 14 o 167.1215 5.606335 286.5959       19.05298  250.0557       
29.88573  311.6170       24.73040  154.4939 9.559605 173.8224 6.996392 
-19.32848      11.84633 
1 1 1 -11 33 15 o 110.6792 7.599331 127.2986       17.00019  120.2426       
26.39728  132.2991       22.22204  105.6269 12.53406 112.0358 9.854067 
-6.408867      15.94382 
1 1 1 -11 33 16 o 75.02743 11.35463 60.76891       16.78220  53.34795       
25.06246  66.80109       22.59595  67.76541 17.91476 77.24539 14.92507 
-9.479980      23.31730 
1 1 1 -11 33 17 o 105.8251 9.125333 118.0606       19.44563  108.3309       
24.17474  135.8958       32.73027  99.99134 12.13791 110.4980 14.94996 
-10.50669      19.25695 
1 1 1 -11 33 18 o 63.98585 12.69044 45.73435       15.92932  43.17613       
22.84881  48.15356       22.21931  60.38500 17.55644 63.91745 16.85394 
-3.532448      24.33689 
1 1 1 -11 33 19 o 65.17412 13.34003 48.46933       17.08463  64.93646       
24.85254  33.71478       23.52473  73.48997 16.97250 53.42669 18.14013 
20.06328       24.84210 
1 1 1 -11 33 20 o 25.71718 12.08002 -13.15703      16.08669  -35.12561      
22.83072  8.503663       22.67017  26.39211 12.89352 38.92366 16.50554 
-12.53155      20.94459 
1 1 1 -11 33 21 o 27.80865 13.11223 -14.40451      19.27610  38.36486       
37.31818  -33.60717      22.51179  53.33450 21.76699 26.01943 12.73076 
27.31507       25.21655 
1 1 1 -11 34 1  o 134.7261 3.913811 185.3747       10.72267  203.0664       
30.78047  182.9313       11.43922  138.5119 11.01901 133.7897 4.204576 
4.722198       11.79394 
1 1 1 -11 34 2  o 94.39665 4.092543 91.02303       7.855997  85.87481       
26.30264  91.52728       8.231741  88.07626 15.23701 94.63751 4.277371 
-6.561256      15.82600 
1 1 1 -11 34 3  o 100.3767 9.598149 105.8561       19.35285  133.4953       
26.52539  74.39780       28.29871  111.9472 11.83117 80.87085 17.69914 
31.07631       21.28934 
1 1 1 -11 34 4  o 147.8539 7.641247 226.2448       22.89611  262.8020       
32.66938  190.9549       32.09815  158.3240 10.20142 134.1124 11.89292 
24.21153       15.66877 
1 1 1 -11 34 5  o 229.3860 6.443738 540.7309       30.05773  564.8923       
43.27908  518.2178       41.77681  233.2156 9.125758 223.3355 9.198694 
9.880142       12.95745 
1 1 1 -11 34 6  o 208.4618 4.543567 444.1868       19.26082  416.7629       
39.28003  452.8679       22.10007  200.0823 9.654096 210.3268 5.167111 
-10.24442      10.94991 
1 1 1 -11 34 7  o 132.2863 3.979533 178.6550       10.70529  172.4302       
14.45522  186.2160       15.93133  129.7260 5.479566 134.7472 5.814080 
-5.021194      7.989316 
1 1 1 -11 34 8  o 138.2955 4.151435 195.3346       11.67502  175.2787       
15.47029  221.8698       17.79456  130.7223 5.819657 147.0442 5.950973 
-16.32184      8.323610 
1 1 1 -11 34 9  o 212.0540 4.028956 459.1799       17.37362  470.8353       
24.11510  446.6017       25.05168  214.3211 5.533154 208.6158 5.905250 
5.705292       8.092451 
1 1 1 -11 34 10 o 130.9128 6.167181 176.0693       16.41800  122.5754       
33.86220  192.5091       18.77203  105.0326 16.38915 136.7487 6.750513 
-31.71605      17.72494 
1 1 1 -11 34 11 o 61.91719 11.80801 41.72075       14.32494  36.33840       
16.98766  54.96758       26.65040  57.02138 14.59022 68.98469 18.58150 
-11.96331      23.62512 
1 1 1 -11 34 12 o 111.2863 7.388751 128.4796       16.62601  107.7377       
21.29748  160.8436       26.60330  100.8064 10.54545 123.2885 10.71776 
-22.48218      15.03585 
1 1 1 -11 34 13 o 195.3742 4.709259 390.7378       18.70988  391.9578       
26.15911  389.4601       26.77105  195.0496 6.595176 194.3574 6.773496 
0.6922455      9.453920 
1 1 1 -11 34 14 o 228.3462 4.684853 533.8258       21.75410  511.6757       
30.13159  557.9413       31.44000  222.7837 6.651004 232.6403 6.645782 
-9.856598      9.402248 
1 1 1 -11 34 15 o 156.8380 6.092097 253.1547       19.42986  238.6833       
30.71110  262.8130       25.08939  150.4108 10.09931 159.2104 7.749386 
-8.799606      12.72985 
1 1 1 -11 34 16 o 102.0989 7.717885 108.8117       15.90565  120.9465       
22.01420  95.55824       23.00657  106.6394 10.27887 93.75018 12.36988 
12.88926       16.08320 
1 1 1 -11 34 17 o 42.80659 15.47298 18.31116       17.28821  18.79048       
21.26473  17.37668       29.69133  44.78949 16.97725 47.82471 19.45531 
-3.035217      25.82124 
1 1 1 -11 34 18 o 67.98861 12.30636 51.63093       16.38803  72.47708       
23.36303  31.43859       22.99374  79.27556 15.04263 52.24687 17.93221 
27.02869       23.40609 
1 1 1 -11 34 19 o 85.68024 10.43491 80.36119       17.80563  77.23893       
25.35878  83.39739       25.00684  80.28250 16.09342 84.19907 15.16260 
-3.916565      22.11114 
1 1 1 -11 34 20 f 33.70561 14.13237 6.426492       16.32000  3.156934       
23.98673  9.244496       22.26883  37.03831 16.32989 38.50743 16.34559 
-1.469112      23.10505 
1 1 1 -11 34 21 o 48.28620 18.19610 30.63717       24.33819  43.23060       
37.46503  21.44222       32.01318  53.79235 21.86539 45.41443 19.44556 
8.377918       29.26132 
1 1 1 -11 35 1  o 58.78572 5.735812 35.83248       6.769391  58.25906       
24.97798  34.05470       7.032583  71.03188 17.42417 57.21302 6.140652 
13.81886       18.47456 
1 1 1 -11 35 2  f 100.3966 10.23608 106.7548       20.60566  115.3898       
28.80267  97.70197       29.49113  102.6302 14.17961 93.34731 16.11867 
9.282883       21.46795 
1 1 1 -11 35 3  o 120.4353 8.443029 151.2823       20.54702  179.3098       
29.78356  125.8292       28.38278  129.8822 11.39160 107.8087 13.22367 
22.07353       17.45377 
1 1 1 -11 35 4  o 107.1366 9.194874 120.3684       19.83838  119.7146       
28.13175  121.0153       27.98027  105.0646 13.47781 105.7213 13.30981 
-0.6567841     18.94208 
1 1 1 -11 35 5  o 53.76106 15.89306 32.20282       18.58642  13.52940       
26.03429  51.61374       26.54342  45.34360 18.29914 66.85830 18.75935 
-21.51470      26.20633 
1 1 1 -11 35 6  o 76.07095 17.65394 66.20650       26.78261  0.000000       
0.000000  66.20650       26.78261  ?        ?        76.07095 17.65394 
0.000000       17.65394 
1 1 1 -11 35 7  o 152.3961 3.990806 237.2070       12.36761  221.5572       
17.58635  252.5199       17.39609  146.8949 5.887320 156.9328 5.451131 
-10.03787      8.023426 
1 1 1 -11 35 8  o 122.0309 4.611441 152.3370       11.44348  154.9931       
16.39809  149.8154       15.97716  122.5285 6.605595 120.4751 6.546122 
2.053421       9.299764 
1 1 1 -11 35 9  f 168.7014 4.215167 290.8804       14.46055  325.0650       
20.70591  258.3332       20.20395  177.9511 5.721925 158.4866 6.268913 
19.46448       8.487619 
1 1 1 -11 35 10 o 54.77143 12.18187 33.00436       13.21747  -1.403667      
28.84641  42.14796       14.87033  41.10232 18.02094 62.04174 12.22129 
-20.93942      21.77416 
1 1 1 -11 35 11 o 62.32646 12.40343 42.65596       15.16757  42.65596       
15.16757  0.000000       0.000000  62.32646 12.40343 ?        ?        
0.000000       12.40343 
1 1 1 -11 35 12 o 104.3314 6.955452 112.8610       14.67221  119.1911       
17.86958  99.76424       25.70351  106.8022 8.292802 95.47890 13.62478 
11.32334       15.95008 
1 1 1 -11 35 13 o 141.8791 5.349735 206.5997       15.43484  199.5158       
21.13862  214.6897       22.58989  138.6005 7.528221 143.6957 7.759466 
-5.095154      10.81126 
1 1 1 -11 35 14 o 92.74241 7.642907 89.75153       14.28576  104.6931       
19.61124  72.85948       20.85203  99.42006 9.828899 81.50237 13.01951 
17.91769       16.31302 
1 1 1 -11 35 15 o 113.3270 7.578357 133.8407       17.36398  140.3852       
27.06209  129.2608       22.63852  114.1423 11.83087 110.2814 10.21059 
3.860886       15.62772 
1 1 1 -11 35 16 o 55.53405 13.16811 34.72734       14.64501  46.33831       
21.12558  23.98475       20.32024  63.07544 16.33895 47.61348 16.82358 
15.46196       23.45195 
1 1 1 -11 35 17 o 55.50784 15.55450 35.95642       18.26104  52.78963       
22.39721  2.577568       31.53887  66.75961 16.57449 42.84417 18.81246 
23.91545       25.07234 
1 1 1 -11 35 18 o 97.82941 8.759468 102.1176       17.24156  136.1329       
24.47539  68.60969       24.29215  111.6757 10.91716 75.76392 16.25408 
35.91179       19.58008 
1 1 1 -11 35 19 o 47.47705 15.25085 26.98109       16.69963  34.46243       
23.65777  19.55130       23.57614  52.44428 18.17844 44.22238 17.55988 
8.221897       25.27460 
1 1 1 -11 35 20 o 41.76455 15.19071 20.28482       16.70079  31.51023       
24.20116  10.07895       23.07597  49.30123 18.22943 38.66042 16.53044 
10.64082       24.60828 
1 1 1 -11 35 21 o 43.03633 17.30041 22.15705       23.17174  11.66395       
37.93592  28.40182       29.26556  42.98715 19.60332 46.60933 19.17807 
-3.622173      27.42424 
1 1 1 -11 36 1  f 43.79932 6.908851 20.28883       5.949559  0.000000       
0.000000  20.28883       5.949559  ?        ?        43.79932 6.908851 
0.000000       6.908851 
1 1 1 -11 36 2  o 125.5125 12.83977 170.5318       32.31007  0.000000       
0.000000  170.5318       32.31007  ?        ?        125.5125 12.83977 
0.000000       12.83977 
1 1 1 -11 36 3  o 29.16710 14.02775 -32.20687      24.41084  0.000000       
0.000000  -32.20687      24.41084  ?        ?        29.16710 14.02775 
0.000000       14.02775 
1 1 1 -11 36 4  o 128.4880 8.589023 172.5311       22.31252  155.2694       
31.68774  189.5059       31.42327  119.6561 13.24496 133.1765 11.72253 
-13.52036      17.68747 
1 1 1 -11 36 5  o 72.88429 13.29236 58.50113       18.97505  54.67347       
26.69573  62.40958       26.97602  68.44171 18.66545 73.28073 18.18785 
-4.839020      26.06141 
1 1 1 -11 36 6  o 143.8405 7.851840 215.0295       22.88014  235.7009       
33.60167  197.1597       31.24186  149.0004 11.17107 136.0933 11.39366 
12.90712       15.95645 
1 1 1 -11 36 7  o 91.06762 4.263016 84.80469       7.894639  89.63215       
10.39918  78.23794       12.12872  93.28933 5.506112 86.80419 6.928778 
6.485138       8.850155 
1 1 1 -11 36 8  o 52.21309 7.647875 28.79359       7.879560  40.09895       
10.18898  11.97219       12.42852  61.59950 8.349104 36.09213 13.10799 
25.50737       15.54113 
1 1 1 -11 36 9  o 31.45020 11.04525 9.407698       8.747655  21.25704       
11.33846  -8.016276      13.74930  43.98577 12.23220 25.74361 11.76380 
18.24216       16.97096 
1 1 1 -11 36 10 f 127.3732 7.331895 168.4051       18.91072  157.0343       
32.03535  174.4866       23.42819  120.2023 13.33033 129.0063 8.986634 
-8.803986      16.07660 
1 1 1 -11 36 11 o 72.47441 8.924459 55.59174       12.87491  63.21825       
15.63010  39.49488       22.70751  76.89723 10.25069 58.63412 17.62092 
18.26311       20.38562 
1 1 1 -11 36 12 o 50.52272 11.51676 28.13474       11.56920  17.69642       
15.36973  41.78097       17.57346  41.85553 14.64403 60.83724 14.42413 
-18.98170      20.55488 
1 1 1 -11 36 13 o 38.28698 12.88733 15.09454       11.87225  26.79473       
16.15992  1.373666       17.49982  49.03207 14.89419 33.49619 14.36071 
15.53587       20.68977 
1 1 1 -11 36 14 o 112.6072 7.261244 131.9603       16.53893  129.1227       
25.27300  134.0857       21.87288  109.5161 11.52098 112.5396 9.650981 
-3.023506      15.02912 
1 1 1 -11 36 15 o 49.02865 13.53291 27.09084       13.93458  36.25200       
19.04433  16.53476       20.44286  56.02294 15.95013 43.15475 16.57684 
12.86819       23.00431 
1 1 1 -11 36 16 o 79.92780 9.999024 68.77816       15.89639  64.18452       
22.74204  73.16669       22.22853  74.42852 15.52811 80.40931 14.10874 
-5.980789      20.98044 
1 1 1 -11 36 17 o 34.90237 14.71583 5.053122       17.85566  15.09905       
21.48049  -17.40966      32.12039  42.13581 16.75183 37.21091 17.34491 
4.924908       24.11368 
1 1 1 -11 36 18 o 31.02500 13.52048 0.6988078      16.02038  5.750238       
22.82368  -4.207061      22.49244  37.94921 16.33781 34.04605 15.35329 
3.903164       22.41980 
1 1 1 -11 36 19 o 74.17251 11.24671 62.52441       16.43163  46.39246       
23.40248  78.21024       23.07661  59.07479 17.91902 80.36250 14.66128 
-21.28771      23.15263 
1 1 1 -11 36 20 o 47.96193 15.21635 29.66063       16.66370  39.30792       
24.51349  21.37295       22.72056  52.68601 18.49055 42.93820 17.17691 
9.747807       25.23780 
1 1 1 -11 37 1  o 93.08550 15.99308 98.63919       29.18279  98.63919       
29.18279  0.000000       0.000000  93.08550 15.99308 ?        ?        
0.000000       15.99308 
1 1 1 -11 37 2  o 42.02519 17.67675 7.772392       25.66468  7.772392       
25.66468  0.000000       0.000000  42.02519 17.67675 ?        ?        
0.000000       17.67675 
1 1 1 -11 37 3  o 47.76489 15.86465 24.77457       17.99783  -6.533237      
25.19238  57.41110       25.72141  36.49570 16.37106 69.88378 17.99208 
-33.38808      24.32543 
1 1 1 -11 37 4  o 38.16405 14.90147 11.17166       16.72635  12.37050       
24.41988  10.11213       22.95709  43.42404 17.65212 41.53002 17.02495 
1.894016       24.52440 
1 1 1 -11 37 5  f 49.86246 16.13356 27.41439       18.66307  51.18336       
26.40294  3.679119       26.38421  65.90907 18.78598 41.00232 17.60747 
24.90674       25.74755 
1 1 1 -11 37 6  f 94.77986 10.33848 95.69452       19.60299  98.13908       
28.22435  93.41631       27.24711  93.56844 15.36712 91.33382 15.20480 
2.234619       21.61792 
1 1 1 -11 37 7  o 82.33854 6.635552 70.41361       11.01614  98.43929       
28.56871  65.51869       11.93948  93.61247 15.55320 79.17145 7.505598 
14.44102       17.26951 
1 1 1 -11 37 8  o 154.6377 3.946325 244.4584       12.40965  214.8723       
16.37346  284.3936       19.02281  144.5917 5.568597 166.3284 5.624150 
-21.73671      7.914565 
1 1 1 -11 37 9  o 227.4825 4.461140 529.8571       20.63694  501.6941       
25.24052  586.6475       35.84230  220.9029 5.618825 237.9083 7.408578 
-17.00539      9.298291 
1 1 1 -11 37 10 o 152.4666 6.748209 240.2247       20.92255  189.8249       
35.44406  267.1787       25.92038  131.9022 13.40024 160.2924 7.952009 
-28.39029      15.58207 
1 1 1 -11 37 11 o 35.09832 12.16092 12.21566       10.58698  1.902936       
13.87561  26.58377       16.37816  30.46721 12.91595 48.82690 15.02550 
-18.35969      19.81382 
1 1 1 -11 37 12 o 28.72864 11.87870 3.276874       11.30030  -1.236652      
14.86371  9.458812       17.39529  29.80227 13.00444 37.51990 15.02252 
-7.717630      19.86936 
1 1 1 -11 37 13 o 59.47956 10.92712 38.65310       12.72971  32.17842       
17.09205  46.71806       19.07594  53.13487 15.10445 63.94865 14.93883 
-10.81378      21.24413 
1 1 1 -11 37 14 o 110.7405 7.462928 128.0789       16.70811  108.1746       
25.21579  143.6574       22.30815  99.21275 12.79666 116.3769 9.509480 
-17.16417      15.94317 
1 1 1 -11 37 15 o 31.31727 13.06223 3.893959       13.83548  23.33228       
18.86174  -18.74685      20.35628  46.44865 16.22412 28.53176 13.45972 
17.91688       21.08047 
1 1 1 -11 37 16 o 94.33772 10.49529 96.59508       19.79276  73.00871       
36.04435  106.7776       23.68286  74.18259 22.17949 98.25076 12.10981 
-24.06817      25.27008 
1 1 1 -11 37 17 o 51.53630 15.87620 31.92466       18.27968  23.42529       
22.77568  47.31071       30.64374  46.53769 17.58679 60.12888 20.69774 
-13.59119      27.16048 
1 1 1 -11 37 18 o 32.46193 13.78714 4.604177       15.85789  -7.509944      
22.50867  16.54290       22.34513  32.55369 14.94071 41.92550 16.94138 
-9.371815      22.58838 
1 1 1 -11 37 19 o 30.94036 13.43341 2.847218       15.69452  -7.140108      
22.93955  11.63611       21.51927  32.26183 14.90630 38.30117 16.15233 
-6.039341      21.97944 
1 1 1 -11 37 20 o 82.04177 10.53185 77.67759       17.16508  129.0199       
26.64604  41.25837       22.44194  102.9434 13.01975 53.39266 17.71450 
49.55075       21.98448 
1 1 1 -11 38 1  o 53.31781 16.49416 32.72597       19.70688  54.74754       
27.25529  8.600207       28.52773  67.24897 19.05867 43.64895 18.51276 
23.60002       26.56982 
1 1 1 -11 38 2  o 179.4044 10.37004 342.4965       37.67118  342.4965       
37.67118  0.000000       0.000000  179.4044 10.37004 ?        ?        
0.000000       10.37004 
1 1 1 -11 38 3  o 59.76079 19.25584 42.09095       26.60663  42.09095       
26.60663  0.000000       0.000000  59.76079 19.25584 ?        ?        
0.000000       19.25584 
1 1 1 -11 38 4  o 77.84378 17.73765 71.27589       27.45235  71.27589       
27.45235  0.000000       0.000000  77.84378 17.73765 ?        ?        
0.000000       17.73765 
1 1 1 -11 38 5  o 121.0351 9.163461 154.5207       22.38674  185.7412       
31.50344  122.6733       31.81818  131.1751 11.94088 104.3594 15.46087 
26.81565       19.53517 
1 1 1 -11 38 6  o 37.69890 15.23917 8.982457       18.08769  55.05755       
26.07561  -33.74793      25.11134  68.09025 18.39662 29.25821 14.11078 
38.83204       23.18512 
1 1 1 -11 38 7  o 153.6037 7.995571 246.3330       24.88853  257.3253       
35.15249  235.2838       35.24308  155.0721 11.22320 147.8497 11.82085 
7.222397       16.30008 
1 1 1 -11 38 8  o 59.00143 6.945858 36.51302       8.174127  32.99922       
9.383751  47.56747       16.64396  55.60230 8.574841 65.35400 12.98137 
-9.751698      15.55776 
1 1 1 -11 38 9  o 23.93064 10.20971 0.4100743      8.767706  3.768889       
10.31647  -8.325656      16.63749  28.03096 11.44290 28.53072 12.99970 
-0.4997540     17.31855 
1 1 1 -11 38 10 o 85.76306 12.62816 80.77460       21.36452  0.000000       
0.000000  80.77460       21.36452  ?        ?        85.76306 12.62816 
0.000000       12.62816 
1 1 1 -11 38 11 o 117.5263 5.684129 142.2357       13.58471  138.6487       
18.09636  146.8669       20.56241  115.1624 7.772813 118.1757 8.615821 
-3.013344      11.60384 
1 1 1 -11 38 12 o 45.02877 12.56647 22.62258       11.94454  15.11831       
16.00381  32.05977       17.94696  40.05487 14.82136 52.88845 15.61223 
-12.83358      21.52706 
1 1 1 -11 38 13 o 62.13176 11.68394 42.67073       14.22044  39.97002       
20.37834  45.23409       19.85340  58.41190 16.45382 62.35878 15.67399 
-3.946884      22.72449 
1 1 1 -11 38 14 o 44.11315 13.54858 21.76794       13.32403  12.46664       
18.10187  32.76546       19.68335  39.28252 15.45358 53.03412 16.49717 
-13.75159      22.60464 
1 1 1 -11 38 15 o 26.81906 12.04125 -4.344152      13.66152  -5.719750      
18.73171  -2.780964      19.96813  31.04229 14.00376 33.15862 14.74491 
-2.116333      20.33514 
1 1 1 -11 38 16 o 105.8410 9.442767 120.7585       20.11035  123.7697       
38.97141  119.6656       23.47772  98.07556 20.21258 104.1368 11.26625 
-6.061249      23.14037 
1 1 1 -11 38 17 o 35.77122 14.92698 7.979657       18.07984  7.038231       
22.67867  9.621418       29.94880  38.00602 16.32262 42.45960 18.49534 
-4.453583      24.66790 
1 1 1 -11 38 18 o 26.01484 12.04191 -8.046562      15.07160  -1.772840      
20.59254  -15.28425      22.11807  32.64247 14.70821 29.61659 13.98938 
3.025881       20.29862 
1 1 1 -11 38 19 o 43.17736 14.78873 23.69566       15.63661  36.25539       
23.28113  13.37357       21.10560  50.45486 17.98827 38.19804 16.04654 
12.25682       24.10537 
1 1 1 -11 39 1  o 100.8089 10.61900 109.5867       21.44135  93.01611       
29.37936  128.4706       31.36306  89.11502 16.82896 106.4837 14.89123 
-17.36869      22.47138 
1 1 1 -11 39 2  f 51.40196 16.44813 30.27365       19.43885  61.33623       
26.86825  -3.843810      28.15847  71.21605 18.41595 38.94766 17.40086 
32.26839       25.33648 
1 1 1 -11 39 3  o 63.24162 19.27868 48.48409       27.03959  48.48409       
27.03959  0.000000       0.000000  63.24162 19.27868 ?        ?        
0.000000       19.27868 
1 1 1 -11 39 4  o 72.50195 18.57192 63.37136       27.50329  63.37136       
27.50329  0.000000       0.000000  72.50195 18.57192 ?        ?        
0.000000       18.57192 
1 1 1 -11 39 5  o 37.95859 16.72968 -1.253475      25.15357  -1.253475      
25.15357  0.000000       0.000000  37.95859 16.72968 ?        ?        
0.000000       16.72968 
1 1 1 -11 39 6  o 146.9175 11.45044 232.5732       33.93938  232.5732       
33.93938  0.000000       0.000000  146.9175 11.45044 ?        ?        
0.000000       11.45044 
1 1 1 -11 39 7  o 101.2895 15.31663 116.1923       30.56346  116.1923       
30.56346  0.000000       0.000000  101.2895 15.31663 ?        ?        
0.000000       15.31663 
1 1 1 -11 39 8  o 166.9100 4.171433 285.3091       14.15856  272.2856       
17.11129  313.5850       25.21313  162.7429 5.170460 173.7885 7.134349 
-11.04556      8.810935 
1 1 1 -11 39 9  f 77.08791 6.811656 62.04347       10.56814  63.40447       
12.34132  58.30161       20.46333  77.58085 7.934330 71.57576 14.55486 
6.005089       16.57702 
1 1 1 -11 39 10 o 60.48333 8.790696 39.12185       10.49558  33.03037       
13.70185  47.77084       16.32679  54.20105 12.66027 65.40439 12.73364 
-11.20333      17.95629 
1 1 1 -11 39 11 o 35.91875 12.47733 13.01140       11.14850  4.413948       
14.45231  25.64523       17.51942  32.20567 13.38450 47.90291 15.64003 
-15.69724      20.58532 
1 1 1 -11 39 12 o 127.5417 5.859361 167.9571       15.19686  158.1590       
20.49815  179.9151       22.64509  122.5903 8.270921 130.6217 8.572824 
-8.031464      11.91224 
1 1 1 -11 39 13 o 127.6863 6.680435 169.7628       17.28576  154.8195       
25.70724  182.0949       23.35343  119.7636 10.66718 131.1357 8.808594 
-11.37205      13.83402 
1 1 1 -11 39 14 o 58.65771 12.40708 38.99353       14.33727  19.76498       
19.08299  63.91468       21.72487  43.77254 16.18699 74.05009 14.94238 
-30.27755      22.02937 
1 1 1 -11 39 15 o 51.07180 13.28286 30.36514       13.92513  34.87223       
19.40992  25.58508       19.98907  53.63941 16.32994 47.27328 16.68780 
6.366127       23.34844 
1 1 1 -11 39 16 o 68.29388 13.97937 55.21338       18.76051  15.64653       
37.77583  68.16695       21.61439  47.34324 20.69313 75.63111 14.58231 
-28.28788      25.31501 
1 1 1 -11 39 17 o 46.81454 16.20206 27.28345       18.78972  40.63724       
23.41032  3.104707       31.50083  54.98475 18.08547 40.17022 18.13724 
14.81453       25.61335 
1 1 1 -11 39 18 o 41.64593 14.83059 21.33923       15.82061  4.991795       
22.48089  37.37864       22.26808  35.57685 15.74091 51.69743 17.64850 
-16.12058      23.64838 
1 1 1 -11 39 19 o 26.81958 12.26819 -3.775949      15.00407  -11.55874      
21.34040  3.832171       21.09956  28.99546 13.70985 33.61195 15.03655 
-4.616491      20.34841 
1 1 1 -11 40 1  o 25.89359 12.39260 -22.01324      18.53572  -33.76566      
25.28540  -8.361770      27.25185  29.03195 14.04023 36.67179 16.68137 
-7.639849      21.80358 
1 1 1 -11 40 2  o 172.6798 7.570994 311.5140       26.58556  333.6216       
37.14262  288.2889       38.06984  176.3635 10.40254 162.9090 11.56690 
13.45448       15.55654 
1 1 1 -11 40 3  o 34.99202 14.92487 3.400181       18.72698  10.97801       
25.78650  -5.056771      27.24125  42.76739 17.83488 37.80743 16.98712 
4.959961       24.63017 
1 1 1 -11 40 4  o 98.82124 15.48658 111.9680       30.09877  111.9680       
30.09877  0.000000       0.000000  98.82124 15.48658 ?        ?        
0.000000       15.48658 
1 1 1 -11 40 5  o 69.58321 18.68699 59.07288       27.00149  59.07288       
27.00149  0.000000       0.000000  69.58321 18.68699 ?        ?        
0.000000       18.68699 
1 1 1 -11 40 6  o 178.7900 10.64772 342.6905       38.53715  342.6905       
38.53715  0.000000       0.000000  178.7900 10.64772 ?        ?        
0.000000       10.64772 
1 1 1 -11 40 7  o 34.28447 15.87517 -15.04469      26.22672  -15.04469      
26.22672  0.000000       0.000000  34.28447 15.87517 ?        ?        
0.000000       15.87517 
1 1 1 -11 40 8  o 230.5089 5.724047 548.2437       26.83134  454.8174       
44.62978  601.1249       33.57694  206.0167 10.68971 240.6042 6.862564 
-34.58757      12.70294 
1 1 1 -11 40 9  o 62.71162 7.505630 41.54602       9.381464  41.94285       
11.40244  40.71453       16.50533  62.42358 9.263541 59.66855 13.86666 
2.755028       16.67625 
1 1 1 -11 40 10 o 74.18829 7.389729 57.90116       11.00011  48.77950       
14.05378  72.32800       17.67429  66.80640 10.70641 81.50436 10.93991 
-14.69796      15.30715 
1 1 1 -11 40 11 o 138.5417 5.244550 197.7392       14.77543  198.9826       
20.14987  196.2931       21.73079  138.0059 7.204974 136.7273 7.848602 
1.278534       10.65421 
1 1 1 -11 40 12 o 37.49932 13.65869 13.81354       13.50891  30.06952       
19.37893  -1.553090      18.84138  50.81402 16.43992 32.78313 14.46235 
18.03090       21.89590 
1 1 1 -11 40 13 o 57.62193 12.15150 37.61801       13.79040  67.90983       
19.15327  5.011123       19.87170  77.69397 12.55068 36.19906 15.40536 
41.49491       19.87070 
1 1 1 -11 40 14 o 93.62733 7.944512 93.15868       14.98315  77.75777       
20.61513  110.4036       21.81443  82.81969 12.64114 100.1687 10.88446 
-17.34896      16.68142 
1 1 1 -11 40 15 o 95.25234 7.949541 96.90339       15.25747  112.4241       
22.04502  82.63330       21.13818  100.5671 10.95692 84.92445 12.62410 
15.64266       16.71592 
1 1 1 -11 40 16 o 72.70423 13.18445 62.56041       18.77492  74.63681       
39.88662  59.12312       21.27977  68.21269 23.60617 68.72523 15.58522 
-0.5125351     28.28692 
1 1 1 -11 40 17 o 43.98738 16.05349 24.34075       18.67447  24.31614       
22.42667  24.39639       33.72432  44.32506 17.26933 46.15385 19.86491 
-1.828793      26.32194 
1 1 1 -11 40 18 o 37.18569 14.25128 16.02439       15.08789  26.00093       
22.20489  7.467509       20.56441  43.91628 17.16326 34.87197 15.25429 
9.044315       22.96237 
1 1 1 -11 41 1  o 49.57534 17.35080 28.30102       21.57751  60.28706       
31.85628  1.186230       29.33039  67.83483 20.96866 40.53703 17.95541 
27.29781       27.60582 
1 1 1 -11 41 2  o 90.69086 11.81361 90.93034       21.26978  66.78164       
29.04665  118.8497       31.23215  72.80592 19.30484 100.9821 15.72069 
-28.17623      24.89613 
1 1 1 -11 41 3  o 74.24652 13.72023 62.87653       19.95213  60.92670       
28.01369  64.88388       28.42393  69.75978 19.16043 72.06084 19.09179 
-2.301056      27.04845 
1 1 1 -11 41 4  o 41.65820 15.64688 16.85986       17.96776  28.70248       
25.84447  5.780992       24.99720  50.98068 18.84060 39.98937 17.15450 
10.99131       25.48029 
1 1 1 -11 41 5  o 41.49580 15.74821 16.29405       18.31156  59.26291       
27.54434  -17.73709      24.51284  69.07031 19.01087 32.08586 15.02035 
36.98445       24.22858 
1 1 1 -11 41 6  o 36.06861 15.27962 4.903459       19.39672  33.84840       
26.88307  -26.52826      28.01409  54.04911 19.32338 32.58687 15.49517 
21.46224       24.76879 
1 1 1 -11 41 7  o 89.61714 11.66930 88.26733       20.76169  114.7321       
30.40668  65.15255       28.41711  99.72401 15.49712 72.48423 19.03487 
27.23978       24.54561 
1 1 1 -11 41 8  o 77.19954 13.75723 67.71238       20.80534  78.35207       
30.85509  58.84152       28.17378  79.43054 19.29379 68.63937 19.35077 
10.79118       27.32586 
1 1 1 -11 41 9  o 77.94209 6.915707 63.71662       10.84740  66.40298       
11.76887  48.54927       27.96454  79.41877 7.371241 62.35072 19.70453 
17.06805       21.03815 
1 1 1 -11 41 10 o 31.27871 11.90054 8.248300       10.47325  9.601901       
12.86935  5.593695       18.02234  34.00660 13.12842 35.31628 14.83166 
-1.309681      19.80741 
1 1 1 -11 41 11 o 38.58373 14.99566 13.04005       16.87811  70.59986       
38.26340  -0.8650182     18.80660  71.85070 23.08564 32.90538 14.48586 
38.94532       27.25412 
1 1 1 -11 41 12 o 113.4228 8.440430 136.8814       19.32840  128.4664       
23.98584  152.4650       32.64089  108.1743 11.05936 115.2896 14.22423 
-7.115257      18.01772 
1 1 1 -11 41 13 f 82.82636 8.807529 73.89616       14.60693  71.99924       
19.48475  76.33002       22.07075  79.63625 12.43858 81.04226 13.89221 
-1.406013      18.64703 
1 1 1 -11 41 14 o 31.87118 13.53519 4.112916       15.28143  11.60929       
18.65117  -11.19674      26.65405  37.94037 15.42537 34.37449 15.94757 
3.565884       22.18709 
1 1 1 -11 41 15 o 102.9188 9.213472 115.9613       19.07873  110.0528       
22.90851  129.3359       34.46681  98.17039 11.70617 100.2492 17.54629 
-2.078812      21.09282 
1 1 1 -11 41 16 o 125.3868 11.25137 180.6292       28.38326  255.3415       
44.35274  128.8117       36.93710  142.0906 15.60692 95.31594 19.70751 
46.77464       25.13885 
1 1 1 -11 41 17 o 33.06783 14.38599 5.948801       18.07138  26.69536       
22.05747  -36.40808      31.51699  44.41681 17.17621 30.22606 14.84521 
14.19075       22.70247 
1 1 1 -11 41 18 o 49.62066 16.14735 35.93219       18.68017  32.27293       
22.64545  43.72443       33.04571  46.02541 17.50201 49.31168 20.34496 
-3.286266      26.83725 
1 1 1 -11 42 1  o 39.31643 17.60477 -0.5669003     28.99396  0.000000       
0.000000  -0.5669003     28.99396  ?        ?        39.31643 17.60477 
0.000000       17.60477 
1 1 1 -11 42 2  o 77.74116 13.92042 69.89758       21.19856  88.03921       
29.94335  51.66859       30.01536  84.23499 18.02525 62.78294 20.47019 
21.45205       27.27523 
1 1 1 -11 42 3  o 98.76099 11.06312 107.1513       21.83679  115.8553       
30.34166  97.79858       31.45204  99.39108 15.51929 89.20264 17.96021 
10.18844       23.73642 
1 1 1 -11 42 4  o 166.8619 7.577477 292.2137       25.71184  362.8342       
38.46980  235.1965       34.56664  183.2224 10.36752 146.1967 11.72568 
37.02567       15.65174 
1 1 1 -11 42 5  o 59.78769 15.40139 42.54200       18.84005  32.62741       
27.62630  51.16179       25.75927  52.92847 19.49389 63.84634 18.66362 
-10.91787      26.98782 
1 1 1 -11 42 6  o 108.3845 10.26485 127.2571       22.35448  128.2223       
32.36770  126.3768       30.91064  104.7709 15.67373 104.5871 14.95998 
0.1837463      21.66718 
1 1 1 -11 42 7  o 65.88221 15.11513 51.22077       19.82023  77.76579       
29.25244  28.69149       26.94910  79.10364 18.51291 50.80383 19.14677 
28.29981       26.63319 
1 1 1 -11 42 8  o 145.1631 8.746942 224.0704       25.69986  216.3149       
36.57456  231.6342       36.11989  138.9365 13.09993 144.4711 12.41520 
-5.534622      18.04842 
1 1 1 -11 42 9  o 59.02967 5.923340 36.47522       7.014409  32.13955       
7.666852  58.74590       17.37621  55.05343 7.007087 72.22047 12.27064 
-17.16705      14.13038 
1 1 1 -11 42 10 o 92.16600 6.460836 88.90335       12.03252  93.86069       
15.47865  81.33292       19.12798  93.91984 8.186317 85.72447 11.24383 
8.195366       13.90825 
1 1 1 -11 42 11 o 34.61120 14.81015 4.209197       18.54795  0.000000       
0.000000  4.209197       18.54795  ?        ?        34.61120 14.81015 
0.000000       14.81015 
1 1 1 -11 42 12 o 34.21914 13.80867 8.674249       14.82361  4.570261       
17.29152  20.05249       28.79172  33.70565 14.35797 46.20671 19.01844 
-12.50106      23.82965 
1 1 1 -11 42 13 o 73.71637 9.591251 59.82066       14.03721  80.95240       
19.21214  35.62106       20.55949  84.62229 11.45926 52.95926 16.91235 
31.66304       20.42896 
1 1 1 -11 42 14 o 25.75367 11.73683 -5.122256      13.57093  6.064153       
18.70244  -17.56225      19.72255  34.69806 14.86015 27.26518 12.97532 
7.432875       19.72772 
1 1 1 -11 42 15 o 104.0947 7.585018 116.9314       15.94551  105.4123       
22.68325  128.1844       22.41977  94.84005 12.03214 106.2852 10.51081 
-11.44515      15.97653 
1 1 1 -11 42 16 o 42.27201 15.57023 23.13305       17.62494  58.00891       
37.89058  13.50352       19.91001  56.21019 22.27986 37.35630 15.63279 
18.85389       27.21721 
1 1 1 -11 42 17 o 41.26600 15.48309 23.12582       17.58444  11.16031       
21.32315  48.56079       31.08861  35.88083 15.61831 51.86551 20.29776 
-15.98468      25.61114 
1 1 1 -11 43 1  o 51.35680 19.64983 32.50549       28.65445  0.000000       
0.000000  32.50549       28.65445  ?        ?        51.35680 19.64983 
0.000000       19.64983 
1 1 1 -11 43 2  o 92.36362 17.32545 106.0545       31.34606  0.000000       
0.000000  106.0545       31.34606  ?        ?        92.36362 17.32545 
0.000000       17.32545 
1 1 1 -11 43 3  o 119.2412 10.23922 155.3595       24.58731  132.5220       
36.42137  174.4820       33.32766  103.0687 18.03401 123.3742 13.50453 
-20.30551      22.52993 
1 1 1 -11 43 4  o 95.40549 11.22816 100.9688       21.36689  132.9195       
30.82839  71.43143       29.64124  106.7662 14.58042 73.99738 19.44453 
32.76884       24.30387 
1 1 1 -11 43 5  o 35.01804 14.82840 5.496174       18.25588  2.514611       
27.54641  7.831362       24.37832  39.50831 17.45512 39.73415 16.99005 
-0.2258415     24.35863 
1 1 1 -11 43 6  o 44.14414 16.51639 20.75817       19.98235  39.68008       
29.17084  4.029487       27.42821  56.01940 20.11808 39.98197 17.54999 
16.03743       26.69718 
1 1 1 -11 43 7  o 83.69976 12.99738 79.95941       21.40479  118.2293       
31.90459  48.63416       28.86503  99.13889 16.39881 60.89886 20.08473 
38.24004       25.92909 
1 1 1 -11 43 8  o 39.09354 15.86179 12.06493       19.67446  19.82033       
29.64424  5.959554       26.30235  46.75979 19.27810 39.98065 17.37445 
6.779137       25.95221 
1 1 1 -11 43 9  o 11.17661 5.608301 -15.92134      5.554111  -16.14877      
5.687306  -11.23571      25.81468  11.34649 5.690994 34.10691 15.77780 
-22.76042      16.77279 
1 1 1 -11 43 10 o 22.19138 10.22149 -6.529794      10.66463  -19.39465      
13.84455  12.24397       16.72446  21.51234 10.40014 37.42999 14.81281 
-15.91765      18.09924 
1 1 1 -11 43 11 o 26.67647 12.65080 -16.69712      18.43091  0.000000       
0.000000  -16.69712      18.43091  ?        ?        26.67647 12.65080 
0.000000       12.65080 
1 1 1 -11 43 12 o 48.33698 14.27825 28.50971       15.00660  20.05222       
17.55299  51.48186       28.92885  42.09221 15.53269 60.46081 20.11495 
-18.36860      25.41408 
1 1 1 -11 43 13 o 57.17961 12.72321 39.10414       14.41273  27.94872       
19.88660  51.44650       20.91783  46.96648 16.63793 62.99747 16.22858 
-16.03100      23.24193 
1 1 1 -11 43 14 o 81.36070 9.515119 74.18043       15.44539  50.67080       
22.27395  95.95505       21.43629  60.63673 17.24475 90.36800 11.95873 
-29.73126      20.98554 
1 1 1 -11 43 15 o 77.55682 11.98896 72.37502       18.29846  60.56700       
37.81888  75.98430       20.90884  57.00167 22.36469 77.70260 13.73493 
-20.70092      26.24553 
1 1 1 -11 43 16 o 36.92448 14.86081 16.02615       17.11917  -8.258713      
35.59280  23.33484       19.52604  35.68423 17.10321 41.32090 16.10972 
-5.636669      23.49559 
1 1 1 -11 43 17 o 31.52166 14.79536 -2.952809      24.05427  24.67298       
35.79654  -25.69732      32.48045  41.35269 18.92834 30.69743 15.07544 
10.65526       24.19816 
1 1 1 -11 44 1  o 39.25571 16.16177 13.46509       20.79888  6.466955       
30.03131  19.91605       28.83336  40.51383 18.04482 44.78456 18.78149 
-4.270729      26.04535 
1 1 1 -11 44 2  o 47.26266 18.93341 25.49300       27.64745  0.000000       
0.000000  25.49300       27.64745  ?        ?        47.26266 18.93341 
0.000000       18.93341 
1 1 1 -11 44 3  o 58.97989 19.79201 47.65878       28.00100  0.000000       
0.000000  47.65878       28.00100  ?        ?        58.97989 19.79201 
0.000000       19.79201 
1 1 1 -11 44 4  o 98.10855 15.85157 117.2357       30.54666  0.000000       
0.000000  117.2357       30.54666  ?        ?        98.10855 15.85157 
0.000000       15.85157 
1 1 1 -11 44 5  o 42.76902 16.54353 19.12741       20.46679  6.571432       
29.66758  30.52961       28.27166  41.25985 18.17760 50.35739 19.45352 
-9.097534      26.62451 
1 1 1 -11 44 6  o 97.32155 11.69475 106.7724       22.68126  97.56319       
33.98400  114.1694       30.45728  85.41492 19.92975 96.78883 16.03583 
-11.37390      25.58013 
1 1 1 -11 44 7  o 37.89808 15.77517 10.03614       20.12153  45.56759       
31.38476  -14.76157      26.21912  57.78102 20.85354 33.14482 15.52189 
24.63620       25.99614 
1 1 1 -11 44 8  o 64.06099 20.57663 57.34093       30.39994  0.000000       
0.000000  57.34093       30.39994  ?        ?        64.06099 20.57663 
0.000000       20.57663 
1 1 1 -11 44 9  o 62.22815 19.70259 53.37639       27.94898  0.000000       
0.000000  53.37639       27.94898  ?        ?        62.22815 19.70259 
0.000000       19.70259 
1 1 1 -11 44 10 o 46.96317 11.18066 25.53650       10.52402  30.79822       
14.15172  19.02635       15.74131  50.49166 13.51530 40.93779 14.76958 
9.553875       20.02009 
1 1 1 -11 44 11 o 110.9216 6.147934 129.5589       13.81321  135.5651       
18.50222  121.9957       20.76219  112.0128 8.179324 104.8604 9.852187 
7.152458       12.80496 
1 1 1 -11 44 12 o 24.88424 11.63640 -9.713440      14.64347  -7.004643      
17.02102  -17.42891      28.72621  27.93357 12.88318 33.04985 15.70818 
-5.116276      20.31559 
1 1 1 -11 44 13 o 28.19909 12.27933 1.915911       13.19094  7.629553       
18.22747  -4.366836      19.11369  34.30706 14.68087 30.10876 13.79990 
4.198301       20.14858 
1 1 1 -11 44 14 o 24.05120 11.21892 -7.582333      13.47662  -21.17535      
18.53689  7.657164       19.62747  24.60542 11.92892 34.38684 14.97603 
-9.781420      19.14629 
1 1 1 -11 44 15 o 67.79972 10.96085 55.35252       14.59641  63.07727       
22.00495  49.28311       19.50525  66.12458 16.43584 58.59727 15.94416 
7.527313       22.89876 
1 1 1 -11 44 16 o 58.63416 14.55437 48.24586       17.27283  111.2463       
38.32640  32.18843       19.34925  72.69822 23.07805 45.34106 16.37237 
27.35716       28.29577 
1 1 1 -11 45 1  o 45.63253 17.01597 26.94645       21.17453  48.72170       
31.26658  8.498858       28.77853  55.99224 20.71692 39.60211 17.64969 
16.39013       27.21584 
1 1 1 -11 45 2  o 66.37784 16.97670 58.77364       23.00661  8.513644       
35.76760  94.24328       30.04740  42.45447 19.23308 83.30490 18.24248 
-40.85043      26.50847 
1 1 1 -11 45 3  o 30.13734 14.58630 -29.00304      27.42550  0.000000       
0.000000  -29.00304      27.42550  ?        ?        30.13734 14.58630 
0.000000       14.58630 
1 1 1 -11 45 4  o 48.80236 19.07520 30.20031       27.43021  0.000000       
0.000000  30.20031       27.43021  ?        ?        48.80236 19.07520 
0.000000       19.07520 
1 1 1 -11 45 5  f 68.51567 20.03378 66.91799       29.67683  0.000000       
0.000000  66.91799       29.67683  ?        ?        68.51567 20.03378 
0.000000       20.03378 
1 1 1 -11 45 6  f 64.36510 19.88585 58.96174       28.65536  0.000000       
0.000000  58.96174       28.65536  ?        ?        64.36510 19.88585 
0.000000       19.88585 
1 1 1 -11 45 7  o 58.69817 19.48581 48.53558       27.15293  0.000000       
0.000000  48.53558       27.15293  ?        ?        58.69817 19.48581 
0.000000       19.48581 
1 1 1 -11 45 8  o 40.48548 17.45487 11.56868       26.12761  0.000000       
0.000000  11.56868       26.12761  ?        ?        40.48548 17.45487 
0.000000       17.45487 
1 1 1 -11 45 9  o 54.83028 20.50858 43.85929       30.80528  0.000000       
0.000000  43.85929       30.80528  ?        ?        54.83028 20.50858 
0.000000       20.50858 
1 1 1 -11 45 10 o 111.5431 4.701025 129.1959       10.66318  135.2711       
11.30630  80.30537       32.07388  114.0459 4.875164 73.23626 20.64675 
40.80968       21.21451 
1 1 1 -11 45 11 o 22.96708 10.28990 -2.154171      9.920468  6.164868       
14.31863  -9.833969      13.75751  31.35974 13.19767 23.83247 11.18721 
7.527266       17.30122 
1 1 1 -11 45 12 f 52.04874 14.22411 35.17696       15.48419  17.19689       
17.69559  93.92949       31.98768  38.73870 15.26657 78.50186 19.98563 
-39.76316      25.14943 
1 1 1 -11 45 13 o 40.72661 13.54561 21.38182       13.11903  18.13496       
18.61826  24.58364       18.48864  38.78376 15.53700 42.54578 15.89324 
-3.762020      22.22597 
1 1 1 -11 45 14 o 24.45390 11.26464 -4.198740      12.95646  3.495064       
18.68507  -11.32411      17.98157  31.37928 14.08589 26.13527 12.42358 
5.244005       18.78184 
1 1 1 -11 45 15 o 35.13831 13.47230 15.80364       13.48708  0.4723417      
19.80303  29.06724       18.41929  30.24456 13.93000 43.38089 15.92650 
-13.13632      21.15888 
1 1 1 -11 45 16 o 44.99103 15.53377 32.30353       17.26666  86.15659       
38.57107  18.80677       19.30951  56.85029 22.49629 36.56492 15.35391 
20.28537       27.23647 
1 1 1 -11 46 1  o 75.82637 14.63228 74.50802       21.74495  125.1845       
36.64403  46.96364       27.01571  89.79571 20.51651 54.22339 19.37255 
35.57232       28.21742 
1 1 1 -11 46 2  o 62.83652 16.70247 54.61810       21.70876  42.14079       
32.47807  64.69460       29.18665  51.44335 20.55178 64.01712 20.11746 
-12.57377      28.75914 
1 1 1 -11 46 3  o 78.03589 14.55087 76.93704       22.24113  112.4194       
33.02245  47.47824       30.08919  89.07379 18.82037 54.95458 20.32508 
34.11921       27.70045 
1 1 1 -11 46 4  o 32.52358 15.41785 -14.71595      27.32464  0.000000       
0.000000  -14.71595      27.32464  ?        ?        32.52358 15.41785 
0.000000       15.41785 
1 1 1 -11 46 5  o 67.79352 20.26752 69.68066       30.09879  0.000000       
0.000000  69.68066       30.09879  ?        ?        67.79352 20.26752 
0.000000       20.26752 
1 1 1 -11 46 6  o 38.47475 17.30392 5.404636       28.34778  0.000000       
0.000000  5.404636       28.34778  ?        ?        38.47475 17.30392 
0.000000       17.30392 
1 1 1 -11 46 7  o 35.82849 16.65872 -5.545464      29.33426  0.000000       
0.000000  -5.545464      29.33426  ?        ?        35.82849 16.65872 
0.000000       16.65872 
1 1 1 -11 46 8  o 63.44852 20.00506 61.61252       28.83697  0.000000       
0.000000  61.61252       28.83697  ?        ?        63.44852 20.00506 
0.000000       20.00506 
1 1 1 -11 46 9  o 35.51953 15.47619 7.471256       20.98121  6.621973       
32.68674  8.066379       27.36208  39.85626 18.18371 38.42348 17.16084 
1.432777       25.00283 
1 1 1 -11 46 10 o 28.07126 10.10647 8.208086       7.366003  5.075636       
7.611703  54.39268       29.22728  25.25298 9.993356 57.82591 20.19608 
-32.57293      22.53329 
1 1 1 -11 46 11 o 28.09296 11.05418 7.119255       9.264278  24.21464       
14.24748  -5.403754      12.19419  42.97548 14.10769 23.58860 10.88810 
19.38688       17.82071 
1 1 1 -11 46 12 o 67.90213 8.704182 52.39168       11.74217  71.01965       
17.87328  38.24663       15.57485  75.91687 11.97439 53.29930 14.13781 
22.61757       18.52738 
1 1 1 -11 46 13 o 63.95711 10.23552 49.00090       12.86329  44.09612       
19.02481  53.13144       17.45879  54.16178 16.09550 62.57793 14.06228 
-8.416153      21.37318 
1 1 1 -11 46 14 o 46.93881 13.15565 30.37797       13.06164  14.16868       
19.41433  43.78212       17.65469  34.98407 15.06472 53.96701 15.35453 
-18.98294      21.51064 
1 1 1 -11 46 15 f 52.92408 12.76409 38.50318       13.57785  49.32169       
20.02187  29.29153       18.47521  54.32245 16.59583 42.01667 15.84894 
12.30579       22.94799 
1 1 1 -11 47 1  o 35.96545 15.41681 13.25477       20.16243  1.564836       
30.18850  22.66846       27.09039  35.47964 16.62808 40.97057 17.71850 
-5.490925      24.29894 
1 1 1 -11 47 2  o 34.34029 15.07930 8.211548       20.26603  -24.03745      
30.09554  34.96764       27.41292  30.78626 14.98796 46.74068 18.80744 
-15.95441      24.04909 
1 1 1 -11 47 3  o 39.59515 16.13248 19.01095       20.45528  -1.940295      
29.07106  39.55518       28.78729  35.17634 16.43152 49.24317 19.45106 
-14.06683      25.46249 
1 1 1 -11 47 4  o 36.11361 15.41813 11.41892       20.02020  12.73891       
28.76169  10.17824       27.88436  39.41261 17.59904 38.35696 17.21353 
1.055645       24.61771 
1 1 1 -11 47 5  o 26.69460 12.87638 -19.99405      20.92908  -47.53577      
32.65569  -0.7951159     27.26478  29.10945 14.44546 35.09285 16.22720 
-5.983397      21.72541 
1 1 1 -11 47 6  o 62.24409 17.19053 55.63081       22.47732  39.38037       
32.96745  69.74683       30.72621  49.39401 20.34303 64.75864 20.67478 
-15.36463      29.00492 
1 1 1 -11 47 7  o 47.87416 17.13001 33.09848       21.13071  8.369454       
30.97719  54.61893       28.89775  38.88301 17.72499 57.36495 20.07927 
-18.48194      26.78343 
1 1 1 -11 47 8  o 53.64602 17.42301 42.88484       21.75224  80.22111       
32.92715  13.97329       28.97506  68.11427 21.36165 39.73103 17.70829 
28.38324       27.74714 
1 1 1 -11 47 9  o 45.36502 17.20281 30.15773       21.83943  5.120621       
32.27869  51.29527       29.65862  37.81209 17.54500 54.22739 20.15468 
-16.41531      26.72149 
1 1 1 -11 47 10 o 94.73406 4.781749 94.42125       9.182039  92.84135       
9.578046  112.3509       32.26615  93.76102 5.041980 84.81430 19.16000 
8.946724       19.81229 
1 1 1 -11 47 11 o 23.49860 10.02320 2.414105       8.446979  4.715794       
8.846976  -21.32686      28.41323  25.49110 10.52285 29.82243 14.52841 
-4.331326      17.93892 
1 1 1 -11 47 12 o 22.23895 10.18718 -3.010320      10.39594  -3.765953      
16.55009  -2.517856      13.36080  26.93760 12.52083 25.09175 11.51415 
1.845848       17.01020 
1 1 1 -11 47 13 o 43.07278 12.93632 25.90678       12.24147  32.46958       
18.85343  21.12338       16.09585  44.30701 16.13630 37.92811 14.67101 
6.378906       21.80869 
1 1 1 -11 47 14 o 43.28071 13.34106 27.43634       12.90570  23.82651       
19.68875  30.15579       17.08894  38.15071 15.71777 42.66651 15.38951 
-4.515800      21.99739 
1 1 1 -11 48 1  o 56.83977 16.46543 51.52146       20.13013  46.67403       
30.19865  55.39780       27.00492  47.14893 19.45028 52.96349 19.30859 
-5.814560      27.40685 
1 1 1 -11 48 2  o 35.90294 15.48918 14.98115       20.60114  45.48193       
29.73245  -13.18339      28.57107  47.99963 19.49085 30.86645 14.92674 
17.13317       24.54996 
1 1 1 -11 48 3  o 38.64994 16.18993 19.92059       21.38458  -4.191405      
31.49302  40.54959       29.12977  34.08838 16.27023 46.98290 19.20943 
-12.89452      25.17384 
1 1 1 -11 48 4  o 35.09814 15.26070 11.59755       20.31310  18.14542       
28.99327  5.284765       28.46804  39.37526 17.61971 35.61052 16.50696 
3.764736       24.14403 
1 1 1 -11 48 5  o 96.13729 11.92661 114.4537       22.81556  132.2363       
33.94431  99.79928       30.81445  92.47425 18.69353 78.45886 19.41824 
14.01539       26.95396 
1 1 1 -11 48 6  o 27.59048 13.14701 -11.92584      20.38521  -11.42217      
30.43373  -12.33570      27.45406  32.76048 15.73184 31.31095 15.01081 
1.449532       21.74431 
1 1 1 -11 48 7  o 38.71889 16.04381 19.32417       20.67788  -23.49290      
30.41486  56.12397       28.19682  30.51905 14.90365 55.61733 19.79989 
-25.09828      24.78214 
1 1 1 -11 48 8  o 28.93102 13.65068 -7.374386      20.95616  3.480237       
30.86285  -16.66021      28.54559  35.71493 16.76209 30.69353 14.86170 
5.021402       22.40174 
1 1 1 -11 48 9  o 29.41064 13.87749 -6.147134      21.66196  7.837706       
31.05570  -19.39842      30.23024  36.34592 16.97963 30.63933 14.93939 
5.706594       22.61622 
1 1 1 -11 48 10 o 32.21319 14.88677 3.185906       22.89613  -1.593364      
33.40231  7.421793       31.44618  34.38927 16.50529 35.75382 16.82465 
-1.364555      23.56891 
1 1 1 -11 48 11 o 26.30568 10.30871 7.010029       8.027148  5.506932       
8.347219  25.48997       29.26837  25.26632 10.30121 39.40306 17.66258 
-14.13675      20.44704 
1 1 1 -11 48 12 o 30.81876 11.75679 11.80211       10.23880  -15.98440      
16.53234  29.09113       13.04074  22.87918 11.13178 44.75704 13.33162 
-21.87786      17.36803 
1 1 1 -11 48 13 o 44.08908 12.43740 27.64411       11.63498  16.85564       
18.50429  34.69827       14.96288  34.25569 14.72891 47.02474 14.34253 
-12.76905      20.55843 
1 1 1 -11 49 1  o 20.95973 10.45921 -30.67329      18.11858  -41.23906      
27.43259  -22.49781      24.13087  24.73407 12.41858 25.75321 12.71392 
-1.019135      17.77259 
1 1 1 -11 49 2  o 32.25584 14.35146 10.58504       18.94216  11.21315       
28.82507  10.10765       25.12999  34.48117 16.18824 33.52898 15.53041 
0.9521942      22.43329 
1 1 1 -11 49 3  o 26.16649 12.65990 -13.71961      20.61350  -26.06091      
31.36373  -4.334629      27.35042  28.94740 14.32820 31.13734 14.94209 
-2.189934      20.70178 
1 1 1 -11 49 4  o 32.54121 14.54215 9.124242       19.67919  28.70292       
29.12419  -7.325023      26.69533  40.37851 17.88835 30.55459 14.68863 
9.823915       23.14625 
1 1 1 -11 49 5  o 51.64824 16.91292 44.88739       20.48155  62.78368       
30.42182  30.05047       27.69973  53.83357 20.33002 41.21361 17.87003 
12.61996       27.06747 
1 1 1 -11 49 6  o 23.05756 11.42977 -29.94620      20.23088  -87.19615      
29.53890  20.63408       27.76498  22.16942 11.31321 38.12402 17.13764 
-15.95460      20.53503 
1 1 1 -11 49 7  o 28.53601 13.53186 -5.857593      21.08147  36.49842       
31.93484  -38.57231      28.06589  42.74994 18.84542 26.16578 13.05076 
16.58416       22.92318 
1 1 1 -11 49 8  o 32.44091 14.71076 7.990551       20.98312  -16.23226      
33.23436  24.04683       27.05812  31.15108 15.28833 38.75045 17.20096 
-7.599375      23.01317 
1 1 1 -11 49 9  o 36.03695 15.73685 18.30952       21.80268  4.209666       
33.94902  28.20713       28.44365  34.27634 16.49954 39.52540 17.58606 
-5.249065      24.11441 
1 1 1 -11 49 10 o 26.54849 12.98203 -16.96944      23.30747  -32.44888      
34.41514  -3.854200      31.67818  28.69478 14.33394 31.85121 15.47667 
-3.156427      21.09477 
1 1 1 -11 49 11 o 19.77399 8.924595 -0.9800811     7.618248  0.1929706      
7.903001  -16.38405      28.63847  20.77417 9.254506 28.42432 13.99768 
-7.650150      16.78037 
1 1 1 -11 49 12 o 15.54400 7.731968 -18.82277      9.578173  -17.97092      
10.15973  -25.63098      28.72211  16.38688 8.118883 26.68896 13.29420 
-10.30209      15.57730 
1 1 1 -11 50 1  o 31.73970 14.19931 14.47061       18.81647  45.34866       
32.36897  -1.289544      23.12513  39.38416 18.01703 28.16602 13.57319 
11.21814       22.55759 
1 1 1 -11 50 2  o 39.29252 15.80184 29.84594       19.33989  20.66385       
29.64428  36.65005       25.51853  34.61618 16.30334 39.92200 17.23098 
-5.305824      23.72142 
1 1 1 -11 50 3  o 40.39962 16.34380 32.03392       20.82269  20.47783       
33.43494  39.35596       26.61404  35.25621 16.81009 41.30087 17.70839 
-6.044659      24.41652 
1 1 1 -11 50 4  o 47.61090 16.69954 42.75312       19.99328  49.13291       
30.09647  37.71387       26.74828  44.03022 18.85370 41.16284 17.70392 
2.867382       25.86293 
1 1 1 -11 50 5  o 29.94143 13.82412 5.160192       19.67667  55.79875       
30.83121  -29.63938      25.55858  46.50240 19.45624 25.25076 12.57174 
21.25164       23.16450 
1 1 1 -11 50 6  o 31.11901 14.35506 7.402492       21.14731  0.3559266      
34.32174  11.71476       26.84932  32.51815 15.86929 33.47179 15.68530 
-0.9536400     22.31285 
1 1 1 -11 50 7  o 34.35796 15.17308 17.18592       20.79251  -7.247521      
31.82461  35.38348       27.46486  30.71528 15.05129 40.34611 17.63935 
-9.630835      23.18810 
1 1 1 -11 50 8  o 34.51710 15.26159 18.16098       21.09738  38.92896       
33.45978  4.455435       27.18155  39.74812 18.23288 31.53204 15.06822 
8.216087       23.65353 
1 1 1 -11 50 9  o 40.50966 16.72857 33.92189       22.37023  42.79729       
35.70113  28.18460       28.70394  39.62066 18.40725 37.02491 16.94825 
2.595745       25.02139 
1 1 1 -11 50 10 o 38.37246 16.25543 30.21637       21.95298  -11.61886      
34.01023  60.09617       28.74269  29.64901 14.71810 47.32199 19.18183 
-17.67298      24.17778 
1 1 1 -11 50 11 f 25.44850 10.06049 7.388717       7.707040  4.412518       
7.980753  48.55863       29.68266  23.21950 9.816724 41.29402 18.18797 
-18.07452      20.66810 
1 1 1 -11 51 1  o 25.05492 12.04809 -2.267727      17.98985  -15.66475      
28.15694  6.973409       23.38535  25.94237 12.95997 28.60841 13.75173 
-2.666035      18.89632 
1 1 1 -11 51 2  o 22.83835 11.26535 -15.64843      18.80601  -65.66761      
31.03710  13.36906       23.63974  22.48162 11.48278 30.64274 14.47056 
-8.161121      18.47299 
1 1 1 -11 51 3  o 26.92683 12.84055 0.5437099      19.52371  17.01773       
31.75730  -9.465830      24.75431  32.25839 15.63300 26.56583 13.06917 
5.692560       20.37631 
1 1 1 -11 51 4  o 29.38011 13.54683 8.882448       18.80171  -13.80275      
28.33079  26.73770       25.13450  27.18948 13.48626 35.16317 16.00482 
-7.973684      20.92925 
1 1 1 -11 51 5  o 32.71661 14.68520 17.58251       20.30522  15.89606       
32.88201  18.62198       25.81531  32.71787 15.86782 33.06722 15.45891 
-0.3493462     22.15323 
1 1 1 -11 51 6  o 31.04921 14.29348 12.41386       20.81478  16.93396       
32.93037  9.406335       26.86127  32.96488 15.96170 31.05836 14.87864 
1.906519       21.82086 
1 1 1 -11 51 7  o 46.15048 17.03236 46.61462       21.10737  35.05513       
32.07407  55.44484       28.03304  36.49151 17.11418 44.29795 18.54472 
-7.806438      25.23493 
1 1 1 -11 51 8  o 27.38015 13.18291 -1.322646      21.70141  16.41255       
32.55391  -15.50800      29.11423  32.52795 15.77864 27.15230 13.50202 
5.375654       20.76704 
1 1 1 -11 51 9  o 43.42478 17.02601 44.70260       21.90520  34.20938       
33.42979  52.59806       28.99800  35.33956 16.83849 41.58344 18.15411 
-6.243877      24.76099 
1 1 1 -11 52 4  f 31.47929 14.16409 19.40778       19.01859  21.94425       
29.35740  17.57342       24.96582  31.38872 15.16758 30.61731 14.57827 
0.7714081      21.03762 
1 1 1 -11 52 5  o 22.40909 11.13640 -18.28481      19.68122  -21.53312      
30.72507  -16.02455      25.62963  25.67973 12.92652 24.97596 12.45957 
0.7037678      17.95371 
1 1 1 -11 52 6  o 32.24643 14.46414 21.02721       19.66243  -13.67906      
30.81302  44.86710       25.53774  26.60176 13.32882 38.70473 16.96319 
-12.10297      21.57330 
1 1 1 -10 0  1  o 253.8703 5.505668 656.4306       28.39305  656.4306       
28.39305  656.4306       28.39305  253.8703 5.505668 253.8703 5.505668 
0.000000       0.000000 
1 1 1 -10 0  2  o 422.1055 6.324551 1813.538       54.26031  1813.538       
54.26031  1813.538       54.26031  422.1055 6.324551 422.1055 6.324551 
0.000000       0.000000 
1 1 1 -10 0  3  o 450.3965 6.539860 2064.759       59.86990  2064.759       
59.86990  2064.759       59.86990  450.3965 6.539860 450.3965 6.539860 
0.000000       0.000000 
1 1 1 -10 0  4  o 244.3306 5.386291 608.0433       26.73267  608.0433       
26.73267  608.0433       26.73267  244.3306 5.386291 244.3306 5.386291 
0.000000       0.000000 
1 1 1 -10 0  5  o 406.5603 6.206543 1682.446       51.28590  1682.446       
51.28590  1682.446       51.28590  406.5603 6.206543 406.5603 6.206543 
0.000000       0.000000 
1 1 1 -10 0  6  o 627.8138 8.170057 4012.282       104.2658  4012.282       
104.2658  4012.282       104.2658  627.8138 8.170057 627.8138 8.170057 
0.000000       0.000000 
1 1 1 -10 0  7  o 893.3311 10.90393 8127.326       198.0165  8127.326       
198.0165  8127.326       198.0165  893.3311 10.90393 893.3311 10.90393 
0.000000       0.000000 
1 1 1 -10 0  8  o 285.7076 5.636528 831.2042       32.71925  831.2042       
32.71925  831.2042       32.71925  285.7076 5.636528 285.7076 5.636528 
0.000000       0.000000 
1 1 1 -10 0  9  o 137.3234 6.776452 193.2252       18.81827  193.2252       
18.81827  193.2252       18.81827  137.3234 6.776452 137.3234 6.776452 
0.000000       0.000000 
1 1 1 -10 0  10 o 203.9326 5.964509 424.1071       24.68718  424.1071       
24.68718  424.1071       24.68718  203.9326 5.964509 203.9326 5.964509 
0.000000       0.000000 
1 1 1 -10 0  11 o 106.0451 8.910984 116.8559       18.90404  116.8559       
18.90404  116.8559       18.90404  106.0451 8.910984 106.0451 8.910984 
0.000000       0.000000 
1 1 1 -10 0  12 o 139.0928 12.06033 201.5282       33.52264  201.5282       
33.52264  201.5282       33.52264  139.0928 12.06033 139.0928 12.06033 
0.000000       0.000000 
1 1 1 -10 0  13 o 116.7389 9.177761 141.3286       21.47757  141.3286       
21.47757  141.3286       21.47757  116.7389 9.177761 116.7389 9.177761 
0.000000       0.000000 
1 1 1 -10 0  14 o 420.3876 9.612376 1803.726       82.07655  1803.726       
82.07655  1803.726       82.07655  420.3876 9.612376 420.3876 9.612376 
0.000000       0.000000 
1 1 1 -10 0  15 o 541.3467 7.781002 2987.340       85.61704  2987.340       
85.61704  2987.340       85.61704  541.3467 7.781002 541.3467 7.781002 
0.000000       0.000000 
1 1 1 -10 0  16 o 199.5260 6.936422 407.0641       28.06693  407.0641       
28.06693  407.0641       28.06693  199.5260 6.936422 199.5260 6.936422 
0.000000       0.000000 
1 1 1 -10 0  17 o 370.4205 6.763248 1399.939       50.90673  1399.939       
50.90673  1399.939       50.90673  370.4205 6.763248 370.4205 6.763248 
0.000000       0.000000 
1 1 1 -10 0  18 o 164.3199 7.941237 277.5946       26.39436  277.5946       
26.39436  277.5946       26.39436  164.3199 7.941237 164.3199 7.941237 
0.000000       0.000000 
1 1 1 -10 0  19 o 490.6866 7.655007 2461.352       76.34190  2461.352       
76.34190  2461.352       76.34190  490.6866 7.655007 490.6866 7.655007 
0.000000       0.000000 
1 1 1 -10 0  20 o 334.5731 7.049382 1145.159       47.91353  1145.159       
47.91353  1145.159       47.91353  334.5731 7.049382 334.5731 7.049382 
0.000000       0.000000 
1 1 1 -10 0  21 o 19.97722 14.42130 -53.71934      29.98842  -53.71934      
29.98842  -53.71934      29.98842  19.97722 14.42130 19.97722 14.42130 
0.000000       0.000000 
1 1 1 -10 0  22 o 22.16085 15.21895 -14.10269      22.22972  -14.10269      
22.22972  -14.10269      22.22972  22.16085 15.21895 22.16085 15.21895 
0.000000       0.000000 
1 1 1 -10 0  23 o 196.2889 8.524785 398.7151       33.88152  398.7151       
33.88152  398.7151       33.88152  196.2889 8.524785 196.2889 8.524785 
0.000000       0.000000 
1 1 1 -10 0  24 o 191.4229 8.970753 381.8979       34.74525  381.8979       
34.74525  381.8979       34.74525  191.4229 8.970753 191.4229 8.970753 
0.000000       0.000000 
1 1 1 -10 0  25 o 93.33318 15.61428 101.9296       27.14204  101.9296       
27.14204  101.9296       27.14204  93.33318 15.61428 93.33318 15.61428 
0.000000       0.000000 
1 1 1 -10 0  26 o 112.9295 12.90148 145.3321       28.62809  145.3321       
28.62809  145.3321       28.62809  112.9295 12.90148 112.9295 12.90148 
0.000000       0.000000 
1 1 1 -10 1  1  o 354.0187 4.162931 1274.751       29.96932  1375.083       
44.28469  1189.976       40.70701  367.6209 5.923821 341.9862 5.853414 
25.63477       8.327911 
1 1 1 -10 1  2  o 610.0705 5.643434 3786.661       70.01239  3756.107       
98.37691  3818.017       99.66051  607.4137 7.964476 612.3953 8.002760 
-4.981628      11.29057 
1 1 1 -10 1  3  f 676.3730 6.102902 4654.964       83.94099  4631.393       
118.2500  4678.906       119.1764  674.4092 8.622363 677.8569 8.645712 
-3.447693      12.21038 
1 1 1 -10 1  4  o 950.4356 8.119526 9196.861       156.9296  9393.969       
226.4134  9014.623       217.7064  959.9083 11.59901 940.3734 11.38464 
19.53485       16.25261 
1 1 1 -10 1  5  o 134.1058 4.313648 182.9268       11.76369  183.1738       
16.69041  182.6831       16.58286  134.1712 6.117252 133.9918 6.085967 
0.1793213      8.629007 
1 1 1 -10 1  6  o 740.7382 6.572762 5583.664       99.00658  5719.216       
143.0172  5458.921       137.1969  749.3455 9.385444 732.1174 9.215360 
17.22803       13.15330 
1 1 1 -10 1  7  f 885.1296 7.646050 7974.837       137.6244  8213.043       
199.8961  7760.178       189.7598  897.7234 10.94990 872.6687 10.69309 
25.05475       15.30499 
1 1 1 -10 1  8  o 577.5200 5.474711 3393.142       64.29536  3511.835       
93.34466  3285.994       88.68866  587.3610 7.815071 568.1727 7.676023 
19.18829       10.95430 
1 1 1 -10 1  9  o 241.0070 4.012419 590.7644       19.66470  623.5267       
28.31538  560.2407       27.33092  247.5629 5.624520 234.6608 5.727464 
12.90211       8.027394 
1 1 1 -10 1  10 o 250.0013 4.100913 635.6999       20.84847  609.4390       
29.12135  663.3115       29.86093  244.7403 5.851330 255.3313 5.751058 
-10.59106      8.204433 
1 1 1 -10 1  11 o 340.4042 4.359667 1178.677       30.17864  1223.105       
43.45438  1137.284       41.94378  346.6872 6.163741 334.3027 6.169872 
12.38443       8.721182 
1 1 1 -10 1  12 o 214.9702 5.299444 470.2089       23.16648  494.0136       
28.66911  425.4185       39.32555  220.3082 6.399295 204.3143 9.465090 
15.99390       11.42536 
1 1 1 -10 1  13 o 486.8049 5.132707 2411.469       50.81042  2366.011       
71.11074  2458.886       72.62681  482.0006 7.254979 491.3684 7.268392 
-9.367737      10.26958 
1 1 1 -10 1  14 o 307.0218 5.241750 959.4374       32.72630  998.4442       
56.60156  939.8490       40.11047  312.8916 8.895759 303.7861 6.492895 
9.105499       11.01327 
1 1 1 -10 1  15 o 327.9578 4.590900 1094.713       30.61732  1064.683       
42.82537  1126.111       43.78960  323.2613 6.514723 332.4599 6.477096 
-9.198547      9.186642 
1 1 1 -10 1  16 o 233.4389 4.649159 554.7969       22.06983  592.6277       
32.04154  520.6472       30.44272  241.1134 6.534925 225.9887 6.624380 
15.12466       9.305249 
1 1 1 -10 1  17 o 248.4198 4.693323 628.4776       23.70926  611.4625       
32.92850  646.7953       34.16561  244.8407 6.613585 251.8082 6.672182 
-6.967499      9.394547 
1 1 1 -10 1  18 o 167.6513 5.489531 286.5131       18.71516  329.4069       
27.47805  249.3976       25.56034  179.5620 7.525237 155.9774 8.086237 
23.58461       11.04610 
1 1 1 -10 1  19 o 219.5627 5.053807 491.3629       22.56466  506.0306       
32.00864  476.8725       31.81473  222.5550 7.072591 216.0228 7.242310 
6.532150       10.12288 
1 1 1 -10 1  20 f 291.1891 5.694835 865.1790       33.72157  768.9919       
56.17232  919.3754       42.16475  273.4930 10.10008 299.9204 6.913405 
-26.42746      12.23956 
1 1 1 -10 1  21 o 83.68331 14.80647 75.11363       24.27466  102.2782       
34.87079  49.57243       33.81277  96.87642 18.37306 68.10883 21.68245 
28.76759       28.42003 
1 1 1 -10 1  22 o 107.0916 8.606118 118.4931       18.58364  107.1259       
26.10193  130.1781       26.46430  100.7299 13.04943 111.5217 11.85103 
-10.79173      17.62767 
1 1 1 -10 1  23 o 60.98328 14.70745 40.54734       18.02741  35.25615       
25.75013  45.63359       25.24654  58.01216 18.96227 64.46776 18.36818 
-6.455597      26.39996 
1 1 1 -10 1  24 o 103.7021 9.593988 112.1692       20.00269  97.96508       
28.16013  126.6344       28.41778  95.09771 15.06374 109.1278 13.06548 
-14.03012      19.94048 
1 1 1 -10 1  25 o 36.22842 15.20345 3.923569       18.91439  16.10114       
26.47481  -8.771855      27.03187  46.94221 18.61812 37.66659 16.92293 
9.275623       25.15989 
1 1 1 -10 1  26 o 84.55422 11.56421 77.43748       19.36274  72.38216       
27.75281  82.23206       27.02769  78.65476 17.77023 84.82437 16.26061 
-6.169609      24.08710 
1 1 1 -10 2  1  o 408.7609 4.423079 1699.542       36.76593  1703.975       
52.06652  1695.132       51.92352  409.2128 6.256881 408.1497 6.255949 
1.063171       8.847907 
1 1 1 -10 2  2  o 410.9431 4.408552 1717.722       36.84081  1772.173       
53.05386  1667.016       51.19726  417.3239 6.251615 404.7547 6.220186 
12.56924       8.818923 
1 1 1 -10 2  3  f 576.7401 5.414958 3384.039       63.50774  3379.563       
89.78333  3388.522       89.84371  576.1899 7.662644 576.9536 7.657648 
-0.7636719     10.83308 
1 1 1 -10 2  4  o 188.8446 3.888752 362.7122       14.93366  336.1689       
20.83286  390.7677       21.41807  181.7732 5.635956 195.9851 5.374101 
-14.21185      7.787488 
1 1 1 -10 2  5  o 682.7688 6.150148 4743.465       85.39072  4749.961       
120.8810  4736.994       120.6407  682.9786 8.703616 682.0463 8.698187 
0.9322510      12.30493 
1 1 1 -10 2  6  o 355.6402 4.152352 1286.441       30.03008  1295.661       
42.79599  1277.498       42.14928  356.8510 5.897457 354.3428 5.849452 
2.508179       8.306388 
1 1 1 -10 2  7  f 435.8051 4.580219 1931.883       40.59101  1919.120       
57.19128  1944.838       57.61984  434.2758 6.476089 437.1756 6.481338 
-2.899872      9.162285 
1 1 1 -10 2  8  o 274.7811 3.985187 767.9379       22.26830  801.4689       
31.99122  736.4207       31.01568  280.6746 5.605009 269.0418 5.669048 
11.63278       7.972091 
1 1 1 -10 2  9  o 578.3087 5.501772 3402.460       64.70141  3439.628       
92.32305  3366.585       90.70171  581.2876 7.810299 575.0871 7.755868 
6.200500       11.00701 
1 1 1 -10 2  10 o 205.0358 4.179769 427.5959       17.42743  449.0954       
25.11628  407.6342       24.20137  210.0909 5.878907 200.1566 5.945915 
9.934341       8.361546 
1 1 1 -10 2  11 o 459.2684 4.877875 2145.785       45.55633  2148.140       
64.29004  2143.410       64.56358  459.3992 6.881800 458.8904 6.918743 
0.5087280      9.758492 
1 1 1 -10 2  12 o 498.1973 5.941989 2525.926       60.19835  2566.792       
74.46556  2448.846       102.2692  502.0951 7.293199 490.0939 10.26158 
12.00119       12.58931 
1 1 1 -10 2  13 o 318.0668 5.195121 1029.485       33.60203  1083.192       
60.33529  1005.338       40.45683  325.9770 9.101921 314.2509 6.330876 
11.72601       11.08715 
1 1 1 -10 2  14 o 485.2931 5.935863 2397.843       58.57866  2271.044       
96.99136  2470.654       73.49741  471.6778 10.11198 492.4289 7.339680 
-20.75107      12.49492 
1 1 1 -10 2  15 o 232.0424 6.573692 548.6202       31.01903  548.6202       
31.01903  0.000000       0.000000  232.0424 6.573692 ?        ?        
0.000000       6.573692 
1 1 1 -10 2  16 o 90.69327 8.113227 84.62891       14.80500  72.46925       
20.64104  97.51297       21.24698  83.11166 12.60867 96.97235 10.96730 
-13.86069      16.71108 
1 1 1 -10 2  17 o 365.2780 4.747396 1358.891       35.26390  1308.468       
48.86877  1413.672       50.93686  358.1426 6.710022 372.2585 6.728776 
-14.11594      9.502674 
1 1 1 -10 2  18 o 160.2375 5.503656 261.7402       17.93358  242.9310       
24.89050  282.0450       25.86118  153.9513 7.977944 166.1369 7.654744 
-12.18561      11.05634 
1 1 1 -10 2  19 o 267.9962 4.841982 731.9130       26.38780  697.2388       
36.44703  770.1115       38.25452  261.2744 6.859838 274.5905 6.850872 
-13.31607      9.694938 
1 1 1 -10 2  20 o 214.3541 6.067413 469.0658       26.44764  454.2009       
45.80821  476.4984       32.39176  209.7589 10.77557 215.8379 7.379983 
-6.079041      13.06052 
1 1 1 -10 2  21 o 169.3199 7.147185 293.3349       24.60902  280.9622       
40.34269  300.6670       31.05624  164.3150 12.15993 170.8883 8.968191 
-6.573273      15.10934 
1 1 1 -10 2  22 o 83.59243 10.94679 73.34874       18.16108  71.44930       
25.37249  75.34429       26.00652  81.17130 15.94010 83.41566 15.91211 
-2.244362      22.52292 
1 1 1 -10 2  23 o 56.55851 15.48733 34.80018       18.33520  22.34190       
26.35992  46.47739       25.52023  50.91698 18.98569 65.01742 18.44758 
-14.10044      26.47205 
1 1 1 -10 2  24 o 107.0347 8.951352 119.0706       19.30453  102.9617       
27.59255  134.5156       27.01798  97.81756 14.29332 112.8974 11.95006 
-15.07980      18.63070 
1 1 1 -10 2  25 o 65.95554 14.69425 48.38184       19.20372  36.85026       
26.56789  60.99835       27.78961  57.99794 19.27576 72.82671 18.67548 
-14.82877      26.83894 
1 1 1 -10 2  26 o 116.6161 12.43603 147.5096       29.03625  0.000000       
0.000000  147.5096       29.03625  ?        ?        116.6161 12.43603 
0.000000       12.43603 
1 1 1 -10 3  1  o 460.8156 4.717232 2160.090       44.20443  2239.287       
64.02895  2087.968       61.10268  469.0785 6.712425 452.9572 6.633636 
16.12128       9.437255 
1 1 1 -10 3  2  o 508.3626 4.983058 2628.961       51.51349  2647.989       
73.22567  2610.317       72.48217  510.0717 7.059611 506.4319 7.038153 
3.639740       9.968636 
1 1 1 -10 3  3  o 573.9299 5.404018 3351.133       63.07061  3291.307       
87.86639  3414.720       90.58643  568.6223 7.598844 579.1767 7.691316 
-10.55444      10.81197 
1 1 1 -10 3  4  o 206.2431 3.794694 432.6187       15.91503  413.4725       
22.16033  453.0127       22.87100  201.5978 5.405540 211.0188 5.329822 
-9.420990      7.591236 
1 1 1 -10 3  5  o 72.91879 6.443387 54.52991       9.456120  69.47564       
13.49150  40.09808       13.25752  82.20203 8.179605 61.81194 10.94795 
20.39009       13.66614 
1 1 1 -10 3  6  o 491.5856 4.886377 2458.233       48.84696  2541.282       
70.72777  2382.496       67.54235  499.7002 6.960316 483.8434 6.864675 
15.85684       9.775979 
1 1 1 -10 3  7  o 536.2866 5.179340 2925.766       56.48365  2846.139       
78.09333  3013.120       81.79507  528.8066 7.262157 544.0880 7.392760 
-15.28131      10.36300 
1 1 1 -10 3  8  o 485.3840 4.891230 2396.573       48.27863  2387.026       
67.99699  2406.277       68.55908  484.3068 6.904268 486.2539 6.933467 
-1.947113      9.784779 
1 1 1 -10 3  9  o 448.2491 4.717402 2043.840       43.00053  2115.490       
62.14454  1978.022       59.56153  455.9386 6.702628 440.8794 6.643464 
15.05920       9.437205 
1 1 1 -10 3  10 o 571.5920 5.492028 3323.994       63.83668  3312.128       
89.98785  3336.015       90.57238  570.3967 7.758102 572.4479 7.780517 
-2.051208      10.98747 
1 1 1 -10 3  11 o 313.6024 4.284492 1000.371       27.32311  1026.003       
39.16220  976.0605       38.13953  317.5283 6.065033 309.7041 6.055875 
7.824188       8.570779 
1 1 1 -10 3  12 o 208.2095 5.277560 441.1025       22.34525  463.7867       
27.60138  397.9585       38.06537  213.4609 6.358592 197.6051 9.472848 
15.85585       11.40905 
1 1 1 -10 3  13 o 344.1837 5.280093 1205.540       36.95586  1232.866       
65.05052  1192.517       44.90644  347.7538 9.198720 342.2460 6.452363 
5.507874       11.23608 
1 1 1 -10 3  14 o 282.1198 5.217117 810.1254       29.93061  762.1197       
50.03804  836.8707       37.34890  273.3452 9.001966 286.6612 6.407039 
-13.31601      11.04923 
1 1 1 -10 3  15 f 306.0794 5.236280 953.8467       32.59181  903.3124       
39.44290  1062.615       57.86641  297.7507 6.514253 322.6584 8.819259 
-24.90778      10.96425 
1 1 1 -10 3  16 o 92.88598 7.970592 88.70781       14.90955  94.87404       
21.62748  83.12334       20.58194  95.56364 11.35114 89.31860 11.60590 
6.245041       16.23407 
1 1 1 -10 3  17 o 164.6557 5.381538 276.2509       18.01917  268.4337       
25.59280  283.9354       25.37450  162.1223 7.762894 166.7640 7.482449 
-4.641693      10.78191 
1 1 1 -10 3  18 o 38.35107 13.88902 12.65974       13.93948  51.21659       
20.51165  -20.42915      19.00164  69.01616 15.03993 27.73838 13.06062 
41.27778       19.91932 
1 1 1 -10 3  19 o 54.21092 13.30015 31.58300       14.55166  27.51225       
20.67890  35.57615       20.48084  52.09358 16.99108 57.69040 16.57835 
-5.596817      23.73896 
1 1 1 -10 3  20 o 112.0915 8.427949 129.4624       19.07020  116.9768       
34.76027  134.8385       22.80930  104.4069 16.95358 114.1219 9.927496 
-9.715019      19.64635 
1 1 1 -10 3  21 o 186.0836 6.803150 354.0979       25.74362  371.6926       
43.94077  344.9023       31.76639  189.3291 11.46705 183.3544 8.519716 
5.974716       14.28562 
1 1 1 -10 3  22 o 135.4140 7.219502 188.2700       19.80851  175.5637       
27.72885  201.5117       28.30703  130.0196 10.57922 139.4911 10.04648 
-9.471436      14.58944 
1 1 1 -10 3  23 o 32.22066 14.12213 -3.406271      17.70176  36.47004       
25.73175  -39.23306      24.39022  58.72687 18.93806 28.23019 13.68556 
30.49669       23.36546 
1 1 1 -10 3  24 o 195.4116 6.114208 391.0885       24.29640  400.6857       
35.85514  382.9401       33.03808  196.9819 8.951043 192.7383 8.429375 
4.243607       12.29535 
1 1 1 -10 3  25 o 78.50788 14.56794 67.98429       22.40119  50.79060       
27.96302  98.78580       37.42704  66.46140 19.45061 92.05707 20.51718 
-25.59567      28.27155 
1 1 1 -10 3  26 o 112.5067 9.198609 133.5533       20.86108  85.94559       
28.64386  187.3267       30.44224  86.32694 16.92171 132.1226 11.44348 
-45.79568      20.42786 
1 1 1 -10 4  1  o 691.2419 6.228563 4862.128       87.55266  4601.245       
117.8747  5183.173       130.7620  672.1970 8.623283 713.3886 9.013717 
-41.19165      12.47430 
1 1 1 -10 4  2  o 383.1304 4.270881 1493.047       33.27480  1500.670       
47.12333  1485.467       46.99231  384.0372 6.034081 382.0863 6.048028 
1.950897       8.543347 
1 1 1 -10 4  3  o 200.6377 3.862024 409.4265       15.75720  407.5479       
22.09383  411.3712       22.47926  200.1478 5.428360 201.0830 5.497374 
-0.9351349     7.725814 
1 1 1 -10 4  4  o 199.5040 3.807662 404.8095       15.44762  436.9736       
22.04319  373.7698       21.65445  207.2517 5.230278 191.6715 5.555694 
15.58026       7.630304 
1 1 1 -10 4  5  o 385.1721 4.286994 1509.001       33.57833  1588.628       
48.84549  1437.656       46.23576  395.1309 6.078999 375.8884 6.048778 
19.24255       8.575660 
1 1 1 -10 4  6  o 301.8612 3.947871 926.7628       24.23381  897.6299       
33.59144  958.3815       34.99521  297.0342 5.561229 306.9198 5.607023 
-9.885559      7.897213 
1 1 1 -10 4  7  o 473.7752 4.799917 2283.281       46.24423  2323.856       
66.06162  2244.293       64.75634  477.8594 6.798258 469.6089 6.781012 
8.250519       9.602001 
1 1 1 -10 4  8  o 91.67990 5.847430 85.86465       10.84477  115.3716       
15.62834  58.46108       15.06103  106.2189 7.279258 75.07878 10.12280 
31.14017       12.46830 
1 1 1 -10 4  9  o 434.9220 4.639497 1924.095       41.03304  2034.802       
60.09465  1827.398       56.16356  447.1624 6.608746 423.7659 6.517443 
23.39658       9.281842 
1 1 1 -10 4  10 o 624.3364 5.839122 3966.110       74.13404  4098.303       
107.7480  3847.277       102.1580  634.4224 8.351785 614.7047 8.172487 
19.71771       11.68511 
1 1 1 -10 4  11 o 598.3250 5.718771 3642.705       69.58109  3642.210       
98.10190  3643.205       98.70593  598.0609 8.066417 598.1371 8.115048 
-0.7623291E-01 11.44207 
1 1 1 -10 4  12 o 167.6890 5.027024 286.1036       17.14222  294.5613       
24.33397  277.7715       24.15256  170.0947 7.035111 165.1710 7.190811 
4.923645       10.05985 
1 1 1 -10 4  13 o 270.8070 5.258901 746.3206       28.96052  726.5475       
50.20712  756.1799       35.45300  266.9486 9.248817 272.5321 6.397112 
-5.583466      11.24561 
1 1 1 -10 4  14 o 400.5648 5.478148 1633.383       44.62292  1575.021       
74.77894  1665.657       55.60896  392.8916 9.359553 404.3759 6.762513 
-11.48425      11.54698 
1 1 1 -10 4  15 o 288.4434 5.206930 847.1018       30.54174  853.3888       
38.03348  835.6868       51.24892  289.4051 6.462617 286.1302 8.807841 
3.274872       10.92444 
1 1 1 -10 4  16 o 70.22200 9.913807 51.42383       13.76304  79.41716       
19.66887  24.56788       19.26516  87.31445 11.34561 49.80656 16.40753 
37.50789       19.94818 
1 1 1 -10 4  17 o 56.08858 12.23502 33.57904       13.56231  46.67673       
19.17221  20.46004       19.18780  65.96621 14.67141 46.89762 16.36472 
19.06858       21.97850 
1 1 1 -10 4  18 o 288.7765 4.708231 849.5339       27.64847  855.4387       
39.29920  843.7468       38.90545  289.4975 6.675557 287.5158 6.654222 
1.981659       9.425590 
1 1 1 -10 4  19 o 211.6206 5.165712 456.5335       22.23000  472.9781       
31.18392  439.5419       31.69832  215.1444 7.127697 207.3426 7.517895 
7.801788       10.35967 
1 1 1 -10 4  20 o 91.54631 10.55960 87.36881       19.29753  82.64227       
33.82795  89.64898       23.49563  86.70593 19.64097 92.21006 12.88193 
-5.504128      23.48855 
1 1 1 -10 4  21 o 127.0654 8.435013 166.3318       21.67152  176.9976       
37.27359  160.8851       26.63640  129.5378 14.39325 124.4805 10.62432 
5.057281       17.88972 
1 1 1 -10 4  22 o 145.4281 6.826608 216.3945       20.18853  210.0659       
28.97502  222.3656       28.14486  142.4221 10.06939 146.6999 9.485253 
-4.277817      13.83339 
1 1 1 -10 4  23 o 71.69811 13.17417 55.23245       18.50019  32.46345       
27.49757  74.06216       25.00600  56.83038 19.60394 82.62511 15.45070 
-25.79473      24.96074 
1 1 1 -10 4  24 o 97.53869 10.22478 99.73505       19.97913  73.03570       
28.70134  124.8350       27.82838  80.81402 17.93334 108.3582 12.88155 
-27.54415      22.08029 
1 1 1 -10 4  25 o 154.7350 8.366813 248.7409       26.22909  249.9318       
32.27177  246.4233       45.02047  154.2438 10.34875 150.6166 14.89410 
3.627151       18.13645 
1 1 1 -10 4  26 o 56.06648 15.89071 36.09550       18.94677  40.53571       
26.89660  31.72190       26.69410  59.03128 19.38390 53.96793 19.25948 
5.063343       27.32514 
1 1 1 -10 5  1  o 313.1162 8.253241 998.2629       52.55106  0.000000       
0.000000  998.2629       52.55106  ?        ?        313.1162 8.253241 
0.000000       8.253241 
1 1 1 -10 5  2  o 511.6213 5.797599 2663.260       60.31818  2705.709       
74.51109  2582.553       102.7404  515.5946 7.106588 503.4687 10.03500 
12.12592       12.29653 
1 1 1 -10 5  3  o 366.5164 4.857166 1366.513       36.20160  1312.738       
43.02245  1496.932       67.00008  359.1925 5.890016 383.4149 8.593199 
-24.22247      10.41803 
1 1 1 -10 5  4  o 102.2210 5.156235 106.5702       10.68371  94.99799       
14.54495  120.1297       15.74432  96.31618 7.484899 108.4030 7.182888 
-12.08680      10.37389 
1 1 1 -10 5  5  o 205.5841 3.836915 429.8603       16.04070  429.6459       
22.57151  430.0791       22.80015  205.5033 5.401201 205.6058 5.453195 
-0.1024475     7.675304 
1 1 1 -10 5  6  o 355.2058 4.146448 1283.299       29.95075  1302.324       
42.58236  1264.673       42.13470  357.7691 5.852959 352.5586 5.877019 
5.210480       8.294364 
1 1 1 -10 5  7  o 427.6847 4.535261 1860.554       39.44368  1952.173       
57.51926  1779.227       54.19282  437.9985 6.457870 418.1516 6.373187 
19.84692       9.073125 
1 1 1 -10 5  8  o 457.3532 4.735727 2127.716       44.04432  2223.442       
64.13048  2042.251       60.59585  467.4238 6.746868 447.9792 6.651715 
19.44464       9.474468 
1 1 1 -10 5  9  o 179.4121 4.252521 327.4011       15.51492  319.7665       
21.76073  335.2946       22.12668  177.2757 6.036326 181.5300 5.993996 
-4.254242      8.506775 
1 1 1 -10 5  10 o 265.3230 4.137813 716.0247       22.32529  709.4390       
31.48737  722.6822       31.65879  264.0520 5.864020 266.5059 5.841658 
-2.453888      8.277180 
1 1 1 -10 5  11 o 572.8452 6.401937 3339.771       74.57616  3321.491       
90.90157  3377.406       130.4276  571.1385 7.826697 575.4982 11.14485 
-4.359680      13.61855 
1 1 1 -10 5  12 f 190.0716 6.647043 367.7738       25.69196  367.7738       
25.69196  0.000000       0.000000  190.0716 6.647043 ?        ?        
0.000000       6.647043 
1 1 1 -10 5  13 o 171.1485 5.891399 298.1687       20.50421  250.0257       
35.17503  322.9470       25.23503  156.1012 11.15442 178.0776 6.968562 
-21.97639      13.15226 
1 1 1 -10 5  14 o 491.0635 5.184558 2454.568       51.77270  2449.469       
73.05836  2459.712       73.37798  490.2840 7.327753 491.3055 7.344508 
-1.021515      10.37486 
1 1 1 -10 5  15 o 270.7517 5.249217 746.4161       28.90129  766.8595       
36.48994  712.0045       47.34220  274.3268 6.541140 264.0960 8.815262 
10.23087       10.97704 
1 1 1 -10 5  16 o 331.3542 4.626458 1117.886       31.17400  1136.563       
44.63913  1100.106       43.55428  333.8793 6.574683 328.4882 6.520179 
5.391113       9.259546 
1 1 1 -10 5  17 o 53.22366 12.76655 30.31406       13.63989  34.42988       
19.67425  26.50499       18.92689  56.90379 16.21554 50.97047 16.22166 
5.933323       22.93657 
1 1 1 -10 5  18 o 271.8590 4.721418 752.9407       26.10163  772.1655       
37.37399  734.6354       36.46920  275.0378 6.682297 268.2702 6.685016 
6.767578       9.452118 
1 1 1 -10 5  19 o 283.9941 5.610232 822.6151       32.39975  819.5820       
39.57529  828.7800       56.42184  283.2495 6.870742 284.1588 9.764157 
-0.9093018     11.93926 
1 1 1 -10 5  20 o 122.1424 8.316703 153.5646       20.53411  134.1475       
36.43492  162.6028       24.85792  112.0776 16.47820 125.4060 9.826154 
-13.32835      19.18553 
1 1 1 -10 5  21 o 251.1808 5.271879 643.7512       26.92794  650.5963       
39.22104  637.6475       37.03652  252.0244 7.652883 249.5871 7.297206 
2.437317       10.57430 
1 1 1 -10 5  22 o 110.4530 8.499389 125.9853       18.94388  162.9098       
27.46704  92.48631       26.16198  125.1156 10.90468 93.10493 14.27325 
32.01064       17.96212 
1 1 1 -10 5  23 o 30.41768 13.69017 -7.996665      17.78137  -46.42307      
25.31742  29.41016       24.97929  27.67870 13.53375 54.23869 18.68614 
-26.55999      23.07237 
1 1 1 -10 5  24 o 59.19749 15.30998 38.67447       18.56796  39.44092       
27.42387  38.02569       25.23109  60.33646 19.56064 59.12210 18.72021 
1.214359       27.07517 
1 1 1 -10 5  25 o 130.6055 9.331708 178.4444       24.62094  136.4247       
29.35424  278.1466       45.21648  112.5629 13.06712 160.6027 13.98456 
-48.03979      19.13942 
1 1 1 -10 5  26 o 43.85612 16.03168 18.89992       18.63465  31.97792       
26.68600  6.454226       26.03289  54.04528 19.25981 41.62186 17.67067 
12.42342       26.13795 
1 1 1 -10 6  1  o 455.6078 4.685544 2111.564       43.41128  2014.394       
59.33052  2223.526       63.68629  444.9027 6.557852 467.4179 6.700222 
-22.51520      9.375414 
1 1 1 -10 6  2  o 203.2954 3.869826 420.3482       15.99817  386.3745       
22.08734  457.8425       23.20356  194.8748 5.573606 212.1383 5.378785 
-17.26344      7.745735 
1 1 1 -10 6  3  o 394.4026 4.334524 1582.216       34.76423  1669.022       
50.88063  1506.210       47.61025  404.9981 6.178003 384.7422 6.085261 
20.25595       8.671685 
1 1 1 -10 6  4  o 387.6866 4.292593 1528.775       33.84168  1482.764       
47.02431  1578.205       48.74054  381.7381 6.057669 393.8308 6.085962 
-12.09271      8.586867 
1 1 1 -10 6  5  o 643.8262 5.889407 4217.534       77.10661  4232.781       
109.3036  4202.430       108.7887  644.7656 8.336452 642.4507 8.327072 
2.314819       11.78289 
1 1 1 -10 6  6  o 241.0703 4.425549 591.1213       21.69513  587.9539       
26.38738  597.7292       38.11312  240.4009 5.397700 242.3178 7.734597 
-1.916931      9.431816 
1 1 1 -10 6  7  o 923.3144 9.160397 8682.256       171.9948  8649.071       
209.8088  8750.249       300.3258  921.1748 11.20031 925.3814 15.95955 
-4.206604      19.49754 
1 1 1 -10 6  8  o 302.7198 4.671315 932.1565       28.75619  980.5002       
36.06725  847.8054       47.64181  310.4375 5.713304 288.5739 8.118576 
21.86368       9.927392 
1 1 1 -10 6  9  o 732.3171 7.578594 5459.115       112.8598  5479.077       
138.5349  5419.723       194.6096  733.4421 9.288424 728.8275 13.13071 
4.614685       16.08385 
1 1 1 -10 6  10 o 241.0578 4.204826 591.0578       20.61203  618.2018       
29.57146  565.4086       28.74570  246.4853 5.899705 235.7228 5.996803 
10.76247       8.412382 
1 1 1 -10 6  11 o 775.6843 7.994250 6127.243       126.0997  6206.272       
156.2083  5979.398       213.6543  780.3585 9.843702 765.1131 13.73202 
15.24542       16.89577 
1 1 1 -10 6  12 o 81.04698 8.472327 67.64869       13.75700  84.26493       
19.37822  50.76529       19.53338  90.25391 10.77113 69.19500 14.35260 
21.05891       17.94476 
1 1 1 -10 6  13 o 358.8615 6.442667 1311.247       47.01582  0.000000       
0.000000  1311.247       47.01582  ?        ?        358.8615 6.442667 
0.000000       6.442667 
1 1 1 -10 6  14 o 239.8844 4.576563 585.6129       22.32507  575.5825       
31.49850  595.7379       31.64686  237.7129 6.516068 241.8446 6.434915 
-4.131638      9.157907 
1 1 1 -10 6  15 o 363.7147 5.365422 1347.122       39.68407  1378.462       
49.63468  1291.591       66.07018  367.7724 6.636737 355.6240 9.136146 
12.14847       11.29227 
1 1 1 -10 6  16 o 101.9940 7.275584 106.6703       14.99119  119.4262       
21.52482  94.65472       20.89088  107.5805 9.951836 95.50191 10.95525 
12.07863       14.80056 
1 1 1 -10 6  17 o 137.5018 6.010730 192.7773       16.80688  173.7219       
24.24586  210.4025       23.31831  129.9612 9.234395 143.2703 8.036111 
-13.30908      12.24145 
1 1 1 -10 6  18 o 96.75339 7.821232 96.31734       15.25678  85.38371       
21.54202  107.3210       21.61085  90.29127 12.03194 101.6925 10.60644 
-11.40123      16.03946 
1 1 1 -10 6  19 o 195.6589 6.113430 390.7118       24.32405  392.2788       
29.69764  387.5179       42.39763  195.8715 7.455887 193.7957 10.80130 
2.075760       13.12472 
1 1 1 -10 6  20 o 97.52238 9.800069 98.71431       19.17199  136.5447       
34.44183  81.72939       23.07797  113.4265 15.32439 87.83109 13.34062 
25.59545       20.31771 
1 1 1 -10 6  21 o 100.5688 9.115068 104.7540       18.43868  117.0223       
26.12752  92.58148       26.02526  105.5644 12.40779 93.25753 14.16918 
12.30685       18.83398 
1 1 1 -10 6  22 o 83.97178 10.51967 73.87061       17.56912  79.32954       
25.28250  68.77267       24.43228  85.85778 15.02816 79.63789 15.64476 
6.219894       21.69342 
1 1 1 -10 6  23 o 155.9422 6.727622 249.0470       21.33421  242.3058       
30.46756  255.5320       29.88320  152.8880 9.852149 157.1559 9.393734 
-4.267822      13.61275 
1 1 1 -10 6  24 o 42.61022 15.72693 15.96817       17.99649  20.58310       
26.02509  11.73921       24.91307  49.38311 18.76650 44.45005 17.91402 
4.933060       25.94405 
1 1 1 -10 6  25 o 148.4975 8.561370 229.5769       25.74356  234.0995       
32.07151  221.3842       43.16544  149.0150 10.65397 142.3617 15.14295 
6.653336       18.51530 
1 1 1 -10 6  26 o 33.96431 14.70987 0.4557270      18.72598  -4.347497      
25.22323  6.354229       27.95150  37.08249 16.52538 42.66569 18.21676 
-5.583206      24.59550 
1 1 1 -10 7  1  o 282.4968 3.959804 811.6982       22.74776  815.5489       
32.16584  807.8455       32.17455  283.1188 5.586948 281.7776 5.615063 
1.341248       7.921043 
1 1 1 -10 7  2  f 316.4342 4.027227 1018.437       25.91439  987.5754       
35.98545  1051.683       37.34958  311.5512 5.679971 321.5030 5.712802 
-9.951813      8.055940 
1 1 1 -10 7  3  o 334.5852 4.064474 1138.625       27.65428  1170.511       
39.70183  1108.576       38.54208  339.1802 5.756103 330.0854 5.741924 
9.094818       8.130339 
1 1 1 -10 7  4  o 193.1822 3.867217 379.5656       15.19207  375.9111       
21.44785  383.2454       21.52201  192.2205 5.486971 194.0874 5.452981 
-1.866852      7.735752 
1 1 1 -10 7  5  o 364.5950 4.187778 1352.059       31.04886  1357.819       
44.08665  1346.390       43.73491  365.3061 5.934700 363.7664 5.912270 
1.539764       8.377088 
1 1 1 -10 7  6  o 435.9558 4.580925 1933.248       40.61131  1988.154       
58.57015  1882.407       56.35973  442.0089 6.516192 430.0975 6.443926 
11.91144       9.164330 
1 1 1 -10 7  7  o 363.1988 4.229033 1341.726       31.23466  1402.516       
45.42677  1287.215       43.01666  371.2682 6.016899 355.6829 5.947334 
15.58530       8.460134 
1 1 1 -10 7  8  f 118.2039 4.964769 142.1342       11.93390  121.4611       
16.63704  164.0450       17.12782  108.9743 7.554217 126.7884 6.666517 
-17.81410      10.07515 
1 1 1 -10 7  9  o 75.33181 7.415249 58.32340       11.21217  55.97051       
15.55243  60.86967       16.17893  73.33504 10.74778 76.54828 10.68481 
-3.213234      15.15520 
1 1 1 -10 7  10 o 741.1803 6.653646 5591.112       100.2848  5570.386       
141.3374  5612.126       142.3158  739.4418 9.399431 742.2025 9.429298 
-2.760620      13.31394 
1 1 1 -10 7  11 o 157.8373 5.770075 253.5151       18.52007  256.7311       
22.34355  246.4550       33.10522  158.8062 6.918839 155.1154 10.55800 
3.690826       12.62306 
1 1 1 -10 7  12 o 50.42515 14.11000 26.72859       15.03808  25.86695       
18.50018  28.40673       25.81836  50.66053 16.02872 55.15509 18.99764 
-4.494564      24.85619 
1 1 1 -10 7  13 o 350.1650 6.323807 1248.465       45.03009  1281.251       
64.74644  1217.750       62.66870  354.4803 8.981985 345.5913 8.917361 
8.889008       12.65683 
1 1 1 -10 7  14 o 256.3546 5.156813 668.9756       26.88276  637.1815       
32.61881  736.2969       47.46477  250.1089 6.413389 268.6566 8.688054 
-18.54767      10.79879 
1 1 1 -10 7  15 o 421.4044 5.633284 1808.737       48.27387  1760.968       
58.40427  1911.744       85.76413  415.6202 6.910294 432.4876 9.751706 
-16.86743      11.95190 
1 1 1 -10 7  16 o 246.0946 5.343659 616.9588       26.74190  633.4113       
33.33753  587.2672       44.78521  249.2317 6.577771 239.6521 9.189713 
9.579559       11.30123 
1 1 1 -10 7  17 o 193.7127 5.663251 382.5114       22.30876  368.4366       
27.46620  409.7979       38.24295  189.9762 7.109645 200.0567 9.400414 
-10.08043      11.78621 
1 1 1 -10 7  18 o 109.3757 8.039309 123.0018       17.75566  136.1921       
22.19692  99.56619       29.58720  114.8641 9.590642 96.75759 15.56498 
18.10653       18.28247 
1 1 1 -10 7  19 o 234.4801 7.152233 561.9700       34.10350  561.9700       
34.10350  0.000000       0.000000  234.4801 7.152233 ?        ?        
0.000000       7.152233 
1 1 1 -10 7  20 o 179.9903 6.748056 331.1499       24.69899  352.4121       
42.58504  320.3718       30.31957  184.4372 11.41025 176.7742 8.434375 
7.663025       14.18917 
1 1 1 -10 7  21 o 120.6529 7.598042 149.6996       18.54671  166.5680       
27.04408  134.7219       25.48346  126.6469 10.59832 113.6704 11.16874 
12.97655       15.39692 
1 1 1 -10 7  22 o 76.74463 16.99663 64.55696       25.82605  0.000000       
0.000000  64.55696       25.82605  ?        ?        76.74463 16.99663 
0.000000       16.99663 
1 1 1 -10 7  23 o 160.0588 6.803484 262.4536       22.14432  259.4842       
32.10682  265.1476       30.58236  158.1528 10.03516 160.0582 9.437732 
-1.905365      13.77589 
1 1 1 -10 7  24 o 65.25123 14.08770 46.67825       18.14564  45.19762       
26.57473  47.97156       24.83695  63.63495 19.04860 65.39223 18.07458 
-1.757275      26.25908 
1 1 1 -10 7  25 o 43.87212 17.07407 15.25864       21.90382  12.06567       
27.06560  21.31918       37.28856  45.21761 18.50528 53.79755 21.83364 
-8.579941      28.62086 
1 1 1 -10 7  26 o 62.21880 17.07829 45.47154       22.26437  91.87418       
37.63462  20.48749       27.61517  85.86094 21.57963 48.34949 19.06590 
37.51144       28.79564 
1 1 1 -10 8  1  o 440.9497 5.368186 1978.223       48.13578  1966.182       
84.01595  1984.106       58.73082  439.3174 9.404419 441.5370 6.541051 
-2.219604      11.45550 
1 1 1 -10 8  2  o 507.2298 5.791611 2617.810       59.73867  2516.250       
101.4313  2671.748       73.91895  496.9413 10.03727 512.3380 7.094925 
-15.39664      12.29165 
1 1 1 -10 8  3  o 297.5877 3.983658 900.7280       24.10729  863.4972       
33.30809  941.6865       34.93585  291.3252 5.622382 304.2282 5.647033 
-12.90305      7.968699 
1 1 1 -10 8  4  o 304.2245 4.608870 941.4519       28.51282  934.2929       
34.44844  957.0256       50.80889  303.0347 5.590179 306.5893 8.149505 
-3.554596      9.882537 
1 1 1 -10 8  5  o 341.3139 4.757634 1185.027       33.02147  1206.632       
40.60018  1142.804       56.75761  344.3731 5.797587 335.0197 8.331100 
9.353333       10.14984 
1 1 1 -10 8  6  o 749.1333 6.639645 5711.161       101.1476  5868.160       
146.5104  5568.187       139.8130  759.0097 9.492263 739.3824 9.298803 
19.62732       13.28799 
1 1 1 -10 8  7  o 182.0231 4.035465 336.9896       14.93728  343.1183       
21.25083  331.0045       21.00040  183.6411 5.690554 180.3696 5.725492 
3.271576       8.072401 
1 1 1 -10 8  8  o 432.0462 4.604135 1898.757       40.45104  1990.309       
59.02827  1817.696       55.54345  442.2410 6.563714 422.6348 6.462733 
19.60623       9.211366 
1 1 1 -10 8  9  o 563.0451 5.419196 3225.364       62.04824  3263.591       
88.51519  3188.431       87.00326  566.1932 7.687794 559.6394 7.644970 
6.553772       10.84194 
1 1 1 -10 8  10 o 243.8965 4.805287 605.1525       23.83287  586.9268       
29.07101  642.5095       41.62019  240.1614 5.952585 251.1860 8.148116 
-11.02464      10.09084 
1 1 1 -10 8  11 o 512.2985 5.185715 2670.375       54.02356  2697.623       
76.82594  2643.723       75.98272  514.7244 7.339758 509.5569 7.332815 
5.167511       10.37508 
1 1 1 -10 8  12 o 249.8669 4.406488 635.1774       22.38993  596.0532       
31.24923  676.4508       32.09604  241.9724 6.350706 257.7866 6.122654 
-15.81412      8.821471 
1 1 1 -10 8  13 o 488.8607 5.920032 2433.042       58.85191  2404.957       
100.8425  2447.549       72.47419  485.4148 10.21596 490.1558 7.271061 
-4.741028      12.53930 
1 1 1 -10 8  14 o 192.3054 4.935615 376.4331       19.30120  342.1746       
27.37985  410.2752       27.21294  183.2220 7.348556 200.6716 6.668653 
-17.44954      9.923317 
1 1 1 -10 8  15 o 258.8375 5.183059 682.2452       27.28129  670.5002       
33.61390  704.9133       46.69827  256.4929 6.444544 262.7324 8.740491 
-6.239502      10.85948 
1 1 1 -10 8  16 o 194.6934 4.943799 386.0622       19.57328  390.8778       
27.89651  381.3928       27.47000  195.7373 7.008498 193.3498 6.986561 
2.387436       9.896013 
1 1 1 -10 8  17 f 152.5325 5.565321 237.1614       17.26252  249.5343       
24.43401  224.8312       24.39182  156.2817 7.688384 148.0829 8.131183 
8.198853       11.19050 
1 1 1 -10 8  18 o 158.5605 5.540442 256.3616       17.86450  242.4397       
25.15143  270.5360       25.37854  153.7408 8.073178 162.6721 7.671885 
-8.931335      11.13706 
1 1 1 -10 8  19 o 203.1464 6.055376 421.2217       25.01506  441.4912       
30.45801  379.2138       43.84751  207.8105 7.207467 191.5173 11.30879 
16.29320       13.41031 
1 1 1 -10 8  20 o 132.0489 13.47901 182.8802       35.68719  182.8802       
35.68719  0.000000       0.000000  132.0489 13.47901 ?        ?        
0.000000       13.47901 
1 1 1 -10 8  21 o 146.6685 6.623283 219.9931       19.75429  262.2636       
29.15040  184.0957       26.86314  159.5007 9.024331 133.3237 9.980684 
26.17694       13.45558 
1 1 1 -10 8  22 o 80.22844 11.61193 67.99799       18.39360  97.52773       
26.87320  41.97013       25.22950  95.60705 14.25821 62.19239 18.54741 
33.41466       23.39450 
1 1 1 -10 8  23 f 190.3382 6.225267 370.7526       24.09547  424.6674       
35.58833  325.1179       32.74167  203.1091 8.616419 177.3650 9.108547 
25.74413       12.53827 
1 1 1 -10 8  24 o 177.0001 6.806652 321.7432       24.49957  316.3193       
36.25373  326.3022       33.23765  174.1121 10.28500 177.2767 9.252001 
-3.164612      13.83404 
1 1 1 -10 8  25 o 116.2361 10.65472 143.1268       24.90427  145.7682       
30.21268  137.5276       43.98845  116.1976 13.00940 108.2584 20.73643 
7.939201       24.47946 
1 1 1 -10 8  26 o 27.94915 13.25833 -21.05676      20.27343  6.477717       
35.84780  -34.00449      24.58220  46.69407 20.28775 28.67751 13.86274 
18.01655       24.57169 
1 1 1 -10 9  1  o 341.8102 4.179612 1188.404       29.05175  1233.555       
41.95922  1146.828       40.26397  348.1729 5.926263 335.7116 5.897918 
12.46130       8.360983 
1 1 1 -10 9  2  o 152.7819 4.350766 237.4340       13.51727  251.3032       
19.30566  224.0959       18.93243  157.1510 6.041104 148.3958 6.273839 
8.755188       8.709535 
1 1 1 -10 9  3  o 382.7097 4.998843 1490.008       38.90365  1503.599       
47.58195  1462.600       67.56833  384.4025 6.087019 378.9668 8.767798 
5.435669       10.67362 
1 1 1 -10 9  4  o 68.19483 11.18967 48.64386       14.97908  72.05956       
21.33803  25.89388       21.03251  83.04276 13.06753 51.68634 17.14926 
31.35641       21.56055 
1 1 1 -10 9  5  o 282.8485 5.690148 813.9880       32.72870  866.8154       
47.51163  766.2831       45.14941  291.7875 8.007222 274.3417 8.092988 
17.44580       11.38473 
1 1 1 -10 9  6  o 339.5927 5.967274 1173.422       41.20840  1177.609       
58.16836  1169.204       58.38722  340.0760 8.411229 338.8565 8.473260 
1.219452       11.93922 
1 1 1 -10 9  7  o 434.0332 5.343547 1916.557       47.16328  2011.503       
85.27406  1874.714       56.60983  444.3787 9.436529 429.2097 6.485911 
15.16904       11.45055 
1 1 1 -10 9  8  o 104.0573 5.595051 110.4854       11.79588  120.1294       
16.63079  100.7220       16.73347  108.3656 7.594931 99.10383 8.381756 
9.261734       11.31091 
1 1 1 -10 9  9  o 197.5209 4.268564 396.8459       17.14535  389.2975       
23.97379  404.7489       24.53015  195.5943 6.027385 199.4376 6.048416 
-3.843277      8.538894 
1 1 1 -10 9  10 o 824.1243 8.366751 6917.376       140.2171  6835.423       
170.0024  7091.758       247.9822  818.8898 10.20888 832.9979 14.63946 
-14.10809      17.84755 
1 1 1 -10 9  11 o 427.6565 4.722427 1860.697       41.06877  1806.793       
57.14293  1918.289       59.06477  421.2889 6.670080 434.0913 6.691076 
-12.80246      9.447776 
1 1 1 -10 9  12 o 552.4046 5.457233 3105.611       61.30293  3121.673       
87.21776  3089.928       86.18237  553.5654 7.747910 550.7507 7.695059 
2.814636       10.91989 
1 1 1 -10 9  13 o 403.6255 5.435454 1658.338       44.61346  1775.977       
80.05723  1605.350       53.72969  417.2188 9.435943 397.0120 6.655171 
20.20676       11.54679 
1 1 1 -10 9  14 o 344.8072 5.286352 1210.472       37.06669  1182.732       
64.62251  1224.074       45.25051  340.3517 9.336936 346.6291 6.419587 
-6.277344      11.33091 
1 1 1 -10 9  15 o 328.8997 4.589768 1101.263       30.69769  1121.032       
43.65864  1081.933       43.17164  331.6339 6.473808 325.7940 6.516345 
5.839905       9.185474 
1 1 1 -10 9  16 o 306.4789 4.582497 956.4784       28.55974  964.4047       
40.69451  948.7853       40.09139  307.5116 6.507630 305.0175 6.463608 
2.494141       9.172104 
1 1 1 -10 9  17 o 288.2567 4.563398 846.3323       26.74973  867.4167       
38.17472  825.9929       37.49410  291.5728 6.438395 284.5190 6.480376 
7.053741       9.134998 
1 1 1 -10 9  18 o 91.83395 8.000008 86.91530       14.79058  68.44300       
20.51319  106.9174       21.34573  80.43037 12.98410 101.4874 10.49462 
-21.05703      16.69502 
1 1 1 -10 9  19 o 151.7329 6.987246 235.3206       21.55942  251.2587       
26.38304  203.2861       37.40375  156.3989 8.325419 139.4635 13.35192 
16.93546       15.73488 
1 1 1 -10 9  20 o 177.5809 5.958347 322.0280       21.51659  282.5829       
30.86078  359.3405       30.01497  165.6080 9.200015 187.2841 7.881077 
-21.67607      12.11411 
1 1 1 -10 9  21 o 325.0974 5.131997 1078.423       33.92745  1113.953       
48.73641  1045.014       47.25902  329.8230 7.266431 319.4515 7.274920 
10.37146       10.28229 
1 1 1 -10 9  22 o 186.0042 6.029823 353.6428       22.80755  378.7238       
33.38114  331.6828       31.23520  191.9757 8.550735 179.6582 8.549600 
12.31749       12.09176 
1 1 1 -10 9  23 o 137.7270 7.740941 195.4559       21.59234  204.1578       
31.69749  187.9219       29.49381  139.7620 11.24804 134.1650 10.90472 
5.596954       15.66625 
1 1 1 -10 9  24 o 111.7383 8.812075 129.9151       19.86062  136.7315       
30.10312  124.6613       26.42859  113.0376 13.35389 108.3154 12.21177 
4.722290       18.09568 
1 1 1 -10 9  25 o 123.6847 16.42925 170.7634       40.29989  0.000000       
0.000000  170.7634       40.29989  ?        ?        123.6847 16.42925 
0.000000       16.42925 
1 1 1 -10 9  26 o 87.93988 13.07132 85.71696       22.66426  59.63024       
38.66654  99.37041       27.97349  68.54787 23.25665 93.50187 15.23690 
-24.95400      27.80351 
1 1 1 -10 10 1  o 339.9046 5.919275 1175.699       40.91448  0.000000       
0.000000  1175.699       40.91448  ?        ?        339.9046 5.919275 
0.000000       5.919275 
1 1 1 -10 10 2  o 454.6927 5.452631 2103.514       50.41683  2141.086       
62.06015  2030.590       86.46055  458.6611 6.653797 446.4381 9.523692 
12.22299       11.61782 
1 1 1 -10 10 3  o 603.2958 6.507784 3704.066       79.83896  3689.968       
97.12051  3733.452       140.2160  602.0130 7.933296 605.1138 11.39486 
-3.100769      13.88452 
1 1 1 -10 10 4  o 354.9019 4.836543 1281.307       34.90558  1295.299       
42.58265  1252.651       60.94131  356.7927 5.869018 350.7265 8.544600 
6.066132       10.36608 
1 1 1 -10 10 5  o 224.6068 4.474121 513.1561       20.43535  492.8289       
24.30201  562.2283       37.75906  220.0914 5.429847 234.9965 7.901477 
-14.90509      9.587314 
1 1 1 -10 10 6  o 338.0338 4.783957 1162.384       32.88507  1130.292       
39.36417  1236.525       59.83100  333.2969 5.807889 348.4713 8.443215 
-15.17432      10.24790 
1 1 1 -10 10 7  o 890.2618 7.692997 8068.612       139.2723  7892.587       
192.9639  8260.016       201.2168  879.9681 10.78345 900.1748 10.99224 
-20.20673      15.39844 
1 1 1 -10 10 8  o 227.6147 4.041169 526.9579       18.70504  511.1604       
26.19009  543.4059       26.72383  224.1364 5.746102 231.0996 5.686542 
-6.963196      8.084209 
1 1 1 -10 10 9  o 350.9123 4.924839 1252.742       35.14326  1272.709       
43.75486  1216.446       58.99203  353.6458 6.084240 345.6075 8.393803 
8.038239       10.36696 
1 1 1 -10 10 10 o 545.2845 7.567931 3027.599       83.91734  2951.351       
117.4481  3107.125       119.9454  537.9794 10.73566 552.0017 10.68542 
-14.02234      15.14704 
1 1 1 -10 10 11 o 756.4970 7.848897 5829.106       120.7445  6138.924       
220.1367  5695.790       144.4049  774.8613 13.97067 747.4897 9.500037 
27.37158       16.89468 
1 1 1 -10 10 12 o 578.4325 7.927248 3409.104       93.24522  0.000000       
0.000000  3409.104       93.24522  ?        ?        578.4325 7.927248 
0.000000       7.927248 
1 1 1 -10 10 13 o 308.0243 5.140711 965.7375       32.20027  907.9394       
55.43576  995.1680       39.55782  298.3180 9.138166 312.6042 6.222803 
-14.28622      11.05574 
1 1 1 -10 10 14 o 487.5139 5.972399 2420.896       59.20893  2452.842       
104.6542  2405.857       71.80569  489.7994 10.50720 485.7874 7.268774 
4.011993       12.77640 
1 1 1 -10 10 15 o 502.8510 6.100025 2576.929       62.37669  2635.710       
110.0211  2549.085       75.72277  507.3527 10.66386 499.8438 7.449734 
7.508881       13.00833 
1 1 1 -10 10 16 o 163.4617 6.204129 272.4557       20.62283  238.5288       
34.02541  292.1562       25.92801  152.0791 11.07844 169.1532 7.537676 
-17.07407      13.39957 
1 1 1 -10 10 17 o 261.2357 5.406899 695.6467       28.72315  647.6030       
48.76406  721.1709       35.54334  251.3811 9.539285 265.8237 6.575262 
-14.44261      11.58585 
1 1 1 -10 10 18 o 60.25158 13.84721 39.06543       16.61038  19.60207       
28.01488  49.61705       20.62717  50.85853 19.43639 67.78393 15.32430 
-16.92540      24.75091 
1 1 1 -10 10 19 o 251.5474 4.971106 645.1314       25.42871  649.9681       
36.60733  640.6216       35.34891  252.1230 7.140098 250.3418 6.943704 
1.781204       9.959721 
1 1 1 -10 10 20 o 49.11506 16.11959 24.48373       18.60128  -6.504431      
34.90582  36.77400       21.98269  44.87111 19.74469 58.50768 17.28083 
-13.63657      26.23890 
1 1 1 -10 10 21 o 206.8628 5.798109 437.1114       24.39047  454.2916       
36.57185  423.3484       32.73319  210.3203 8.550946 203.1746 7.922594 
7.145706       11.65702 
1 1 1 -10 10 22 o 49.48814 15.98575 25.33241       18.32845  23.17755       
26.66008  27.26365       25.23895  51.51460 19.11616 53.15116 18.75280 
-1.636559      26.77863 
1 1 1 -10 10 23 o 185.9785 7.279457 355.0010       27.53044  399.1514       
49.70482  335.4625       33.06572  195.0208 12.60071 180.3380 9.016529 
14.68288       15.49437 
1 1 1 -10 10 24 o 191.8859 7.326159 379.0576       28.58715  393.3090       
52.44223  373.0323       34.09890  192.2251 13.50154 189.8234 8.833627 
2.401642       16.13457 
1 1 1 -10 10 25 o 53.32881 17.63906 31.37144       22.25745  9.756302       
36.76815  43.87345       27.96293  49.09528 20.92584 61.62971 19.72823 
-12.53444      28.75924 
1 1 1 -10 10 26 o 80.31239 17.52260 76.49313       27.81287  0.000000       
0.000000  76.49313       27.81287  ?        ?        80.31239 17.52260 
0.000000       17.52260 
1 1 1 -10 11 1  o 365.4186 4.905786 1358.511       36.45446  1313.904       
44.24043  1452.860       64.34142  359.3130 6.054734 377.6780 8.377558 
-18.36508      10.33650 
1 1 1 -10 11 2  o 202.9519 4.820000 419.0271       19.89260  428.8072       
23.67579  395.5471       36.68439  205.2854 5.671462 197.0452 9.155119 
8.240173       10.76948 
1 1 1 -10 11 3  o 340.4737 4.116854 1179.105       28.50364  1217.045       
40.84447  1143.088       39.79644  345.8432 5.807678 335.1692 5.838870 
10.67407       8.235382 
1 1 1 -10 11 4  o 454.0544 4.661570 2097.216       43.04191  2058.848       
60.06867  2137.702       61.70523  449.7770 6.567489 458.3058 6.620872 
-8.528809      9.325656 
1 1 1 -10 11 5  o 361.1237 4.190399 1326.472       30.77250  1376.616       
44.46501  1280.380       42.63070  367.8155 5.944795 354.7276 5.909843 
13.08789       8.382532 
1 1 1 -10 11 6  o 320.6870 4.725452 1046.148       30.81599  1059.710       
37.50123  1017.950       54.07520  322.7230 5.714314 316.1704 8.410570 
6.552582       10.16814 
1 1 1 -10 11 7  o 470.1155 5.568524 2248.666       53.23486  2214.438       
64.10162  2324.742       95.56494  466.4491 6.757925 477.6584 9.838519 
-11.20938      11.93591 
1 1 1 -10 11 8  o 219.8310 3.997899 491.5375       17.87196  525.1677       
25.81392  460.5772       24.76805  227.1877 5.587505 212.7548 5.724810 
14.43286       7.999604 
1 1 1 -10 11 9  o 114.3758 6.257781 133.5353       14.49961  135.3947       
17.53271  129.5115       25.79096  115.0710 7.534184 112.1014 11.47547 
2.969612       13.72772 
1 1 1 -10 11 10 o 423.0566 4.661479 1820.836       40.10270  1776.384       
55.66553  1868.801       57.82358  417.7422 6.552794 428.4648 6.636489 
-10.72253      9.326420 
1 1 1 -10 11 11 f 182.3865 4.659548 338.4484       17.28176  328.7541       
24.45616  348.1173       24.42406  179.6926 6.692780 184.9160 6.495192 
-5.223419      9.326351 
1 1 1 -10 11 12 o 677.6838 7.203912 4678.170       99.27660  4636.098       
170.1355  4699.891       122.2464  673.4067 12.42413 678.9361 8.854332 
-5.529419      15.25642 
1 1 1 -10 11 13 o 56.39153 11.78641 33.73447       13.08069  54.03505       
19.27982  16.41946       17.80575  71.42370 13.77344 43.63098 15.71266 
27.79272       20.89487 
1 1 1 -10 11 14 o 417.0577 5.575383 1771.469       47.28488  1718.095       
81.96015  1798.097       57.89062  410.0116 9.830038 420.0145 6.777859 
-10.00287      11.94023 
1 1 1 -10 11 15 o 145.0152 5.468939 214.2369       16.12754  221.6199       
22.95833  207.0444       22.66017  147.1534 7.698935 142.1976 7.867034 
4.955811       11.00744 
1 1 1 -10 11 16 o 212.1304 4.749675 458.3394       20.48888  457.7541       
29.15289  458.9108       28.80162  211.8043 6.768548 212.0817 6.678246 
-0.2774048     9.508533 
1 1 1 -10 11 17 o 235.6129 4.685945 565.5582       22.45162  561.8635       
31.62255  569.3137       31.88181  234.6106 6.628234 236.1595 6.638749 
-1.548828      9.381176 
1 1 1 -10 11 18 o 283.8468 4.709377 821.0397       27.18309  866.0031       
38.87834  778.0365       38.02137  291.2076 6.565284 275.9827 6.774770 
15.22495       9.434006 
1 1 1 -10 11 19 o 95.19207 8.196742 93.51147       15.71223  93.98301       
21.59065  92.98061       22.90877  94.78359 11.43243 94.07212 12.26735 
0.7114716      16.76867 
1 1 1 -10 11 20 o 79.75687 12.35146 67.39897       19.38502  44.03793       
33.31156  79.36084       23.83682  64.97730 21.58338 86.22149 14.08121 
-21.24419      25.77058 
1 1 1 -10 11 21 f 227.9010 5.440400 530.3002       25.21323  548.8182       
36.51832  513.4319       34.85369  231.3488 7.762329 223.7912 7.658688 
7.557648       10.90455 
1 1 1 -10 11 22 o 63.96492 14.01039 44.42361       17.71967  44.36907       
24.86949  44.47986       25.25373  63.60249 18.26583 63.69794 18.43933 
-0.9545517E-01 25.95476 
1 1 1 -10 11 23 o 150.3009 7.090831 231.8288       21.67255  253.3761       
31.75869  213.0489       29.64917  156.0993 10.05838 143.0195 10.26273 
13.07974       14.36992 
1 1 1 -10 11 24 o 210.7662 6.148954 455.8224       26.35443  501.7532       
38.31915  414.5954       36.30403  220.1931 8.557772 200.0033 8.926191 
20.18980       12.36577 
1 1 1 -10 11 25 o 31.47865 14.01972 -4.675288      18.12499  -6.243930      
25.92900  -3.176374      25.34616  37.24210 16.66407 37.85514 16.73317 
-0.6130447     23.61547 
1 1 1 -10 11 26 o 47.15967 17.44991 22.90112       22.18343  -20.48864      
40.68044  41.26405       26.46446  41.88468 19.52222 58.65963 19.22590 
-16.77496      27.39986 
1 1 1 -10 12 1  o 209.9366 5.803366 448.5214       24.77533  448.5214       
24.77533  0.000000       0.000000  209.9366 5.803366 ?        ?        
0.000000       5.803366 
1 1 1 -10 12 2  o 373.9156 5.030255 1422.449       38.24855  1411.393       
45.77662  1448.021       69.61651  372.4085 6.044672 376.9988 9.080732 
-4.590302      10.90861 
1 1 1 -10 12 3  o 324.4593 4.058834 1070.800       26.78014  1058.552       
37.60128  1083.408       38.15037  322.5369 5.732866 326.3008 5.749488 
-3.763916      8.119259 
1 1 1 -10 12 4  o 467.9607 6.718693 2228.868       63.93603  0.000000       
0.000000  2228.868       63.93603  ?        ?        467.9607 6.718693 
0.000000       6.718693 
1 1 1 -10 12 5  o 210.3363 3.939865 449.9878       16.85183  449.0535       
23.78786  450.9291       23.87655  210.0814 5.568220 210.5194 5.577351 
-0.4380493     7.881111 
1 1 1 -10 12 6  o 424.5372 4.529130 1833.382       39.10047  1845.815       
55.53058  1821.156       55.06517  425.8759 6.412063 423.0222 6.401215 
2.853638       9.060358 
1 1 1 -10 12 7  o 911.9532 9.094227 8472.027       168.6513  8332.082       
202.9357  8784.480       303.2285  903.9858 11.03940 926.7557 16.08990 
-22.76990      19.51290 
1 1 1 -10 12 8  o 348.5777 4.830364 1236.127       34.23977  1261.916       
42.80307  1190.299       57.05835  352.1429 5.977293 341.8752 8.207297 
10.26761       10.15321 
1 1 1 -10 12 9  o 149.0600 5.354410 226.0809       16.23021  229.3653       
20.07369  219.8803       27.58113  150.1107 6.576037 146.5996 9.299991 
3.511108       11.39009 
1 1 1 -10 12 10 o 316.1089 4.258037 1016.526       27.37144  1018.201       
38.93038  1014.888       38.49146  316.2863 6.052808 315.7744 5.994267 
0.5119019      8.518669 
1 1 1 -10 12 11 o 309.6930 4.318386 975.7661       27.19595  975.2081       
38.74131  976.3080       38.18647  309.5084 6.155317 309.6885 6.063635 
-0.1801147     8.640347 
1 1 1 -10 12 12 o 353.6648 8.742198 1275.448       62.87296  1275.448       
62.87296  0.000000       0.000000  353.6648 8.742198 ?        ?        
0.000000       8.742198 
1 1 1 -10 12 13 o 474.5245 5.041700 2292.186       48.65047  2210.445       
67.34834  2381.386       70.35439  465.7159 7.111388 483.3809 7.157317 
-17.66501      10.08955 
1 1 1 -10 12 14 o 110.9477 7.557905 126.1398       16.95025  127.5399       
29.91446  125.4777       20.57129  110.6187 13.58391 110.4410 9.244701 
0.1776886      16.43129 
1 1 1 -10 12 15 o 97.35117 7.088216 97.20080       13.93595  102.0006       
19.97114  92.64552       19.45578  99.32322 10.02499 94.56796 10.28275 
4.755264       14.36090 
1 1 1 -10 12 16 o 34.20358 13.20186 7.918503       13.01175  5.413428       
17.89694  10.72736       18.95104  36.91232 15.07041 40.68452 15.86821 
-3.772202      21.88418 
1 1 1 -10 12 17 o 134.0920 5.945330 183.4250       16.21177  125.0853       
21.87882  254.4564       24.14164  109.9825 9.888167 157.7796 7.524272 
-47.79713      12.42540 
1 1 1 -10 12 18 o 166.4398 5.471508 282.5499       18.51892  275.3773       
25.45467  290.6153       26.99233  164.0717 7.629258 168.5164 7.876746 
-4.444687      10.96580 
1 1 1 -10 12 19 o 87.30743 8.812530 78.98600       15.43190  68.48088       
21.51536  90.11630       22.14632  80.13575 13.69487 92.61857 12.04346 
-12.48282      18.23717 
1 1 1 -10 12 20 o 120.5886 8.351522 149.9152       20.35360  154.3864       
33.99615  147.4171       25.41115  120.8890 14.09358 119.0744 10.60535 
1.814598       17.63809 
1 1 1 -10 12 21 o 284.0672 5.118750 823.5786       29.56898  750.8072       
41.06998  901.8950       42.60603  270.6532 7.462082 296.7623 7.060101 
-26.10913      10.27267 
1 1 1 -10 12 22 o 97.87079 10.46157 100.1460       20.49847  78.72713       
25.73613  137.3110       33.90098  85.22476 15.41753 113.2967 15.08966 
-28.07196      21.57309 
1 1 1 -10 12 23 o 128.4084 7.984101 170.3433       20.74508  148.5934       
28.91821  193.4034       29.77656  118.6424 12.15786 135.9751 10.85930 
-17.33270      16.30147 
1 1 1 -10 12 24 o 48.38389 16.23691 24.44830       18.84520  2.164417       
26.90497  45.91063       26.40436  41.38752 17.77685 63.59782 18.97611 
-22.21030      26.00210 
1 1 1 -10 12 25 f 82.74946 12.34055 74.70774       20.13095  75.86049       
28.80334  73.60693       28.14693  80.54752 18.03393 79.40408 17.86390 
1.143433       25.38388 
1 1 1 -10 12 26 o 65.22275 16.55068 50.53372       21.98774  110.1628       
40.67498  25.91503       26.13550  92.73756 21.91571 49.87508 18.84145 
42.86247       28.90153 
1 1 1 -10 13 1  o 475.0735 6.853789 2297.820       66.21296  2297.820       
66.21296  0.000000       0.000000  475.0735 6.853789 ?        ?        
0.000000       6.853789 
1 1 1 -10 13 2  o 299.3274 4.568703 911.4849       27.80935  908.7262       
34.62384  916.4995       46.68114  298.8292 5.697718 300.0031 7.651812 
-1.173950      9.540137 
1 1 1 -10 13 3  o 630.7517 5.815844 4048.543       74.59721  3974.905       
103.8525  4127.037       107.2209  624.7363 8.174646 636.5654 8.282948 
-11.82910      11.63753 
1 1 1 -10 13 4  o 201.9701 3.940701 414.9121       16.18497  393.8687       
22.55940  437.2319       23.23350  196.7437 5.638652 207.2948 5.511564 
-10.55104      7.884906 
1 1 1 -10 13 5  o 282.4354 3.939742 811.3682       22.62759  783.4318       
31.36398  841.6924       32.67688  277.4804 5.558368 287.6118 5.587048 
-10.13144      7.881025 
1 1 1 -10 13 6  o 549.9388 5.274151 3077.055       58.98185  3084.929       
83.55444  3069.234       83.27213  550.4609 7.464344 549.0594 7.458112 
1.401428       10.55177 
1 1 1 -10 13 7  o 444.9255 5.463881 2014.234       49.43563  1990.205       
59.21668  2069.491       89.79907  442.1914 6.585402 450.6266 9.799492 
-8.435242      11.80667 
1 1 1 -10 13 8  o 259.8611 4.634315 686.9752       24.48940  707.1873       
30.31048  648.9751       41.56037  263.6209 5.654074 252.4302 8.096301 
11.19073       9.875153 
1 1 1 -10 13 9  o 48.83564 11.53151 25.31655       11.26860  19.85797       
15.22637  31.92662       16.75557  44.85452 14.57749 54.93370 14.70701 
-10.07918      20.70747 
1 1 1 -10 13 10 o 308.8083 4.225679 970.1404       26.53609  969.9801       
37.45492  970.3019       37.60091  308.6999 5.966518 308.7499 5.988804 
-0.4998779E-01 8.453705 
1 1 1 -10 13 11 o 287.1849 4.280256 839.1108       24.99671  828.0935       
35.21570  850.2987       35.48722  285.2020 6.072008 289.0026 6.038358 
-3.800568      8.563354 
1 1 1 -10 13 12 o 442.3640 9.528874 1997.046       85.71815  1997.046       
85.71815  0.000000       0.000000  442.3640 9.528874 ?        ?        
0.000000       9.528874 
1 1 1 -10 13 13 o 419.2015 4.766001 1788.775       40.62828  1758.067       
57.00895  1820.468       57.91591  415.3530 6.749541 422.6616 6.738351 
-7.308594      9.537383 
1 1 1 -10 13 14 o 230.8603 5.257367 542.8059       24.68136  498.5545       
43.16150  564.3068       30.08575  220.8193 9.611875 235.3038 6.287535 
-14.48451      11.48570 
1 1 1 -10 13 15 o 137.0733 5.603053 191.4752       15.61813  188.8243       
22.00683  194.1653       22.16880  135.7275 8.008781 137.6479 7.953819 
-1.920410      11.28733 
1 1 1 -10 13 16 o 193.7195 5.478601 382.5371       21.58214  388.5988       
26.83481  371.4351       36.31653  195.1185 6.763145 190.4212 9.378592 
4.697327       11.56279 
1 1 1 -10 13 17 o 63.64697 11.35209 42.91390       14.15396  66.94451       
19.48300  16.05709       20.59685  79.64050 12.43667 44.78106 16.76573 
34.85944       20.87488 
1 1 1 -10 13 18 o 181.9745 6.211390 338.1105       22.98533  338.8723       
27.68710  336.4212       41.22982  182.0084 7.480569 180.3132 11.30141 
1.695160       13.55289 
1 1 1 -10 13 19 o 139.0525 6.067238 197.4833       17.15621  180.6245       
23.54864  216.5537       25.04558  132.3749 8.798097 145.0508 8.528538 
-12.67596      12.25326 
1 1 1 -10 13 20 o 165.9055 6.723243 281.5950       22.68250  261.2223       
38.10227  292.7780       28.22965  158.3286 11.92172 168.9109 8.218574 
-10.58226      14.48007 
1 1 1 -10 13 21 o 26.51765 12.33437 -13.99445      16.10653  -34.74168      
23.26742  5.094782       22.31836  28.16615 13.58378 39.97303 16.62436 
-11.80688      21.46831 
1 1 1 -10 13 22 o 133.3687 8.268116 183.5642       22.31340  165.6453       
28.16870  213.7468       36.55858  125.9047 11.11620 142.5772 12.74352 
-16.67248      16.91056 
1 1 1 -10 13 23 o 35.78479 14.91923 3.969414       18.03803  -2.858930      
25.43099  10.88286       25.58898  38.80491 16.96939 44.49173 18.07609 
-5.686821      24.79325 
1 1 1 -10 13 24 o 186.0057 6.487035 355.7533       24.53714  388.8591       
35.27271  324.7110       34.15575  193.4880 8.964650 176.3158 9.561988 
17.17223       13.10712 
1 1 1 -10 13 25 o 111.8379 9.071007 131.8676       20.45209  121.6155       
29.79986  140.9967       28.12040  104.6423 14.38451 114.0097 12.32524 
-9.367355      18.94270 
1 1 1 -10 14 1  o 78.62958 9.581241 63.96412       15.00323  77.91138       
16.72722  6.572406       33.93157  86.88705 9.629016 49.55976 20.54533 
37.32729       22.68983 
1 1 1 -10 14 2  o 101.6072 6.213089 105.4762       12.77590  104.1649       
16.81211  107.2684       19.65482  100.7828 8.276313 102.1377 9.574807 
-1.354980      12.65600 
1 1 1 -10 14 3  o 219.9419 4.423792 492.1075       19.78582  482.1696       
24.97976  508.8401       32.41319  217.6748 5.643243 223.5583 7.129834 
-5.883575      9.092895 
1 1 1 -10 14 4  o 337.3663 5.822411 1158.236       39.94441  1158.236       
39.94441  0.000000       0.000000  337.3663 5.822411 ?        ?        
0.000000       5.822411 
1 1 1 -10 14 5  o 406.3939 4.446207 1680.080       36.74416  1698.985       
52.14394  1661.434       51.78607  408.5740 6.275982 404.0319 6.302979 
4.542084       8.894689 
1 1 1 -10 14 6  o 344.9632 4.725474 1210.628       33.14894  1185.720       
40.57226  1260.642       57.49150  341.3453 5.844990 351.8302 8.035615 
-10.48486      9.936549 
1 1 1 -10 14 7  o 307.8542 4.631011 964.1672       28.99161  987.0662       
36.21871  923.3278       48.36879  311.4432 5.718770 301.1044 7.899446 
10.33881       9.752209 
1 1 1 -10 14 8  o 354.1294 6.032462 1276.369       43.44182  1276.369       
43.44182  0.000000       0.000000  354.1294 6.032462 ?        ?        
0.000000       6.032462 
1 1 1 -10 14 9  o 268.8529 4.096395 735.3005       22.39587  721.8121       
31.38523  749.2944       31.96789  266.3098 5.795443 271.3323 5.793768 
-5.022491      8.194810 
1 1 1 -10 14 10 o 448.6534 4.795058 2048.181       43.74781  2017.449       
61.24848  2080.190       62.50824  445.1098 6.766697 451.9746 6.800985 
-6.864807      9.593831 
1 1 1 -10 14 11 o 372.2905 5.128681 1410.623       38.82747  1486.678       
67.82581  1373.551       47.35441  381.8395 8.734996 367.2708 6.340487 
14.56870       10.79361 
1 1 1 -10 14 12 o 383.3734 4.568987 1495.775       35.61995  1453.927       
49.66819  1540.090       51.11124  377.7979 6.464982 388.8314 6.464035 
-11.03348      9.142196 
1 1 1 -10 14 13 o 171.0656 4.901250 297.9222       17.04987  298.4727       
24.11724  297.3721       24.10707  171.1142 6.930908 170.7978 6.940821 
0.3164215      9.808796 
1 1 1 -10 14 14 o 258.3593 5.165305 679.8552       27.13761  755.3945       
50.18564  648.6395       32.26109  271.8474 9.078266 252.2538 6.289120 
19.59354       11.04391 
1 1 1 -10 14 15 o 179.3268 4.863976 327.5656       17.73732  343.6228       
25.33730  312.1339       24.83885  183.5121 6.789600 174.8839 6.984418 
8.628220       9.740676 
1 1 1 -10 14 16 o 84.72654 8.960577 74.31470       15.20430  83.17525       
18.66708  56.85104       26.20679  89.41851 10.46378 72.35339 17.90801 
17.06512       20.74096 
1 1 1 -10 14 17 o 232.5267 4.708791 550.9840       22.26556  599.6965       
31.67693  503.4150       31.30291  242.3541 6.427488 221.9727 6.934796 
20.38138       9.455369 
1 1 1 -10 14 18 o 266.5680 5.525069 724.9899       29.95002  698.0750       
35.81266  787.6100       54.62576  261.3544 6.738378 276.8526 9.702808 
-15.49820      11.81314 
1 1 1 -10 14 19 o 90.23228 8.485737 84.25775       15.38760  72.43618       
21.03688  97.86065       22.56624  82.60087 12.94977 96.59371 11.72900 
-13.99284      17.47187 
1 1 1 -10 14 20 o 205.0452 6.078175 429.7206       25.34395  427.2913       
43.17599  430.9978       31.30456  203.1651 10.48637 205.0696 7.506798 
-1.904510      12.89636 
1 1 1 -10 14 21 o 276.4441 5.137196 780.1525       28.87918  771.0437       
41.41122  788.7765       40.29434  274.2277 7.426006 277.4500 7.141803 
-3.222290      10.30296 
1 1 1 -10 14 22 o 142.7732 7.969216 210.1429       23.04504  183.4428       
28.45596  261.0267       39.28324  132.6388 10.63952 157.7361 12.34535 
-25.09734      16.29745 
1 1 1 -10 14 23 o 136.4383 7.537907 192.1237       20.83295  173.2876       
29.11104  211.8969       29.82646  128.3755 11.26514 142.3899 10.37211 
-14.01443      15.31288 
1 1 1 -10 14 24 o 170.0573 6.622395 297.7072       22.90138  321.1453       
33.10413  276.1942       31.71539  175.3427 9.317609 162.4184 9.645760 
12.92430       13.41113 
1 1 1 -10 14 25 o 94.15771 10.66902 95.21982       20.06773  97.20820       
28.32356  93.21549       28.43689  92.50167 15.61312 90.26692 16.08138 
2.234749       22.41384 
1 1 1 -10 15 1  o 172.3297 4.415491 302.1456       15.47357  296.0647       
21.86712  308.2441       21.89879  170.5308 6.305759 174.0072 6.188729 
-3.476379      8.835324 
1 1 1 -10 15 2  o 451.0321 5.364967 2070.185       49.20689  2062.598       
60.88009  2084.479       83.56767  450.1013 6.651409 452.2243 9.087261 
-2.123016      11.26142 
1 1 1 -10 15 3  o 310.3862 4.567970 980.1251       28.83216  1008.004       
36.69294  935.1302       46.61470  314.7165 5.733391 303.0230 7.564774 
11.69351       9.491975 
1 1 1 -10 15 4  o 237.1348 5.451640 572.2194       26.28899  622.1860       
42.25083  540.6547       33.58120  247.1342 8.407190 230.4340 7.166354 
16.70023       11.04706 
1 1 1 -10 15 5  o 204.3148 4.444490 424.6693       18.46602  429.0931       
23.63243  417.7335       29.59063  205.3425 5.659499 202.5532 7.183957 
2.789337       9.145445 
1 1 1 -10 15 6  o 384.6439 4.953056 1505.312       38.74213  1490.635       
47.76675  1533.531       66.23149  382.6963 6.137904 387.9921 8.394411 
-5.295837      10.39904 
1 1 1 -10 15 7  o 260.6418 4.512099 691.1236       23.91521  678.8490       
29.63241  714.0552       40.50229  258.2757 5.641985 264.7973 7.521676 
-6.521545      9.402532 
1 1 1 -10 15 8  o 315.5378 4.852138 1013.034       31.13407  997.4133       
36.99176  1050.977       57.65302  313.0487 5.810875 321.1369 8.828367 
-8.088135      10.56912 
1 1 1 -10 15 9  o 240.6591 4.122224 589.1960       20.17369  633.0295       
29.13976  548.8493       27.95680  249.3872 5.745931 232.2067 5.920541 
17.18050       8.250366 
1 1 1 -10 15 10 o 65.53807 9.286953 44.67036       12.03076  46.40208       
17.00000  42.93290       17.02816  66.21445 13.08932 63.57853 13.58301 
2.635921       18.86342 
1 1 1 -10 15 11 o 214.4211 4.950358 467.9363       21.58517  492.0362       
36.11788  454.5463       26.92186  219.6921 8.084561 211.2680 6.266427 
8.424103       10.22879 
1 1 1 -10 15 12 o 272.3617 4.293155 754.9149       23.77793  739.9527       
33.58116  769.9592       33.67316  269.5254 6.126953 274.9443 6.022650 
-5.418915      8.591383 
1 1 1 -10 15 13 o 365.1433 6.435229 1358.889       47.78359  1358.889       
47.78359  0.000000       0.000000  365.1433 6.435229 ?        ?        
0.000000       6.435229 
1 1 1 -10 15 14 o 266.3371 5.168708 722.5792       27.99401  794.1590       
52.11019  693.5419       33.18989  278.6624 9.195871 260.8189 6.257708 
17.84341       11.12308 
1 1 1 -10 15 15 o 258.5456 4.428514 680.7495       23.28341  654.4205       
32.35022  709.0461       33.53729  253.2928 6.280628 263.6557 6.255173 
-10.36298      8.864168 
1 1 1 -10 15 16 o 215.2198 5.353849 472.2282       23.43148  452.4516       
28.23823  515.9464       41.98492  210.5188 6.596221 224.3746 9.201701 
-13.85582      11.32172 
1 1 1 -10 15 17 o 216.9839 4.813195 479.8835       21.23794  510.3101       
30.23406  450.2452       29.83979  223.5094 6.651954 209.8930 6.991115 
13.61644       9.650086 
1 1 1 -10 15 18 o 64.14085 12.95354 44.11803       16.31380  42.45405       
19.38143  48.16235       30.21580  62.54490 15.35229 66.85565 20.37935 
-4.310757      25.51491 
1 1 1 -10 15 19 o 194.4637 5.241121 385.9012       20.72593  380.8424       
28.99668  391.1854       29.63555  192.8388 7.394390 195.4279 7.457187 
-2.589050      10.50174 
1 1 1 -10 15 20 o 86.65742 9.387367 78.20756       16.27802  95.71038       
23.02572  60.72029       23.01549  95.27482 12.16204 74.65385 15.66039 
20.62097       19.82834 
1 1 1 -10 15 21 o 117.9127 7.791547 143.3195       18.57722  144.1464       
27.03074  142.5792       25.57405  117.3326 11.47581 116.8554 10.88748 
0.4772263      15.81871 
1 1 1 -10 15 22 o 62.93892 15.51963 43.59967       19.73816  40.62581       
24.68524  48.87166       32.86728  60.91547 18.38708 66.76156 21.39025 
-5.846092      28.20687 
1 1 1 -10 15 23 o 58.33036 15.43554 37.73839       18.59392  14.15472       
25.51314  64.45544       27.15516  45.79284 18.24062 75.54631 17.94278 
-29.75348      25.58639 
1 1 1 -10 15 24 o 93.01972 11.11699 92.39192       20.61214  54.04480       
27.55689  141.0948       31.05569  68.08679 19.11768 113.9521 13.67507 
-45.86534      23.50517 
1 1 1 -10 15 25 o 113.8760 9.031258 137.1062       20.74219  139.0950       
30.07220  135.3015       28.64741  112.1802 13.45070 110.9471 12.94064 
1.233086       18.66498 
1 1 1 -10 16 1  o 96.60728 6.054143 95.38908       11.83354  73.98098       
16.66155  117.1797       16.80974  84.58662 9.872116 106.9579 7.781868 
-22.37132      12.57045 
1 1 1 -10 16 2  o 316.5839 4.116071 1019.617       26.49861  1024.506       
37.66264  1014.823       37.28954  317.2543 5.837835 315.7533 5.807479 
1.501007       8.234509 
1 1 1 -10 16 3  o 105.7521 7.482462 114.4720       15.98719  85.38748       
28.50349  127.8214       19.31068  89.94104 16.17924 111.6709 8.569016 
-21.72986      18.30835 
1 1 1 -10 16 4  o 624.3112 8.187138 3970.801       103.9405  3962.762       
150.1176  3978.204       144.0576  623.0090 11.84911 624.3281 11.34676 
-1.319092      16.40581 
1 1 1 -10 16 5  o 787.7816 9.835876 6327.747       157.5688  6096.368       
218.3506  6579.165       227.6097  772.1673 13.90566 802.1449 13.95361 
-29.97760      19.69950 
1 1 1 -10 16 6  o 575.3312 6.264052 3369.415       73.28663  3490.053       
92.97137  3171.433       119.1017  585.3545 7.810500 557.5950 10.50383 
27.75952       13.08947 
1 1 1 -10 16 7  o 305.4893 4.102053 949.3649       25.48289  909.6381       
35.10548  993.6136       37.04955  298.9550 5.774542 312.4467 5.831168 
-13.49173      8.206573 
1 1 1 -10 16 8  o 243.3864 4.758027 602.7351       23.54912  570.7372       
27.62458  687.8189       45.04623  236.7992 5.736724 259.7915 8.526721 
-22.99229      10.27691 
1 1 1 -10 16 9  o 355.6350 4.344265 1286.805       31.41755  1296.628       
44.74564  1277.253       44.12315  356.8723 6.165759 354.1989 6.125872 
2.673340       8.691541 
1 1 1 -10 16 10 o 311.7021 7.995490 990.3013       50.67997  990.3013       
50.67997  0.000000       0.000000  311.7021 7.995490 ?        ?        
0.000000       7.995490 
1 1 1 -10 16 11 o 325.8151 4.922819 1080.513       32.61644  1114.260       
55.61758  1062.824       40.26762  330.5405 8.274389 323.0417 6.129795 
7.498810       10.29757 
1 1 1 -10 16 12 o 261.7307 4.272629 697.1818       22.74057  679.1212       
31.88298  715.8840       32.44441  258.1926 6.072446 265.0934 6.018517 
-6.900787      8.549687 
1 1 1 -10 16 13 o 361.1768 4.500037 1328.038       33.05120  1276.617       
45.97279  1383.048       47.55003  353.8882 6.388270 368.3507 6.348015 
-14.46243      9.005959 
1 1 1 -10 16 14 f 544.4912 5.462831 3021.069       60.48672  2994.008       
85.16445  3048.614       85.92287  541.4484 7.734813 546.3641 7.733484 
-4.915710      10.93774 
1 1 1 -10 16 15 o 100.8669 6.840199 104.3371       13.94741  87.84968       
19.35590  122.1436       20.11525  91.92758 10.54495 108.8304 9.174723 
-16.90280      13.97754 
1 1 1 -10 16 16 o 264.6544 5.150243 714.0300       27.71777  715.2469       
33.90382  711.5773       48.13196  264.7084 6.298388 263.4970 8.982690 
1.211365       10.97080 
1 1 1 -10 16 17 o 165.4260 5.263627 279.0964       17.70681  291.6146       
24.99015  266.4753       25.09259  168.8609 7.277603 161.3696 7.646669 
7.491241       10.55628 
1 1 1 -10 16 18 o 287.4071 5.471222 842.9749       31.97667  840.7233       
38.95438  847.6265       55.99059  286.7647 6.680041 287.1084 9.589982 
-0.3436584     11.68720 
1 1 1 -10 16 19 o 130.1793 6.578893 173.7740       17.35944  161.4636       
23.75493  187.8823       25.43054  124.9099 9.421364 134.8147 9.333563 
-9.904785      13.26188 
1 1 1 -10 16 20 o 218.0004 5.338292 485.3018       23.66525  516.1479       
33.67496  455.2034       33.26426  224.3817 7.380202 210.6259 7.766307 
13.75572       10.71368 
1 1 1 -10 16 21 o 168.8938 6.119196 291.8044       21.01645  314.6534       
30.51218  271.1785       28.98973  174.8697 8.580393 162.0529 8.830333 
12.81677       12.31251 
1 1 1 -10 16 22 o 107.2922 9.821816 120.1082       21.19168  106.4962       
26.27881  145.4219       35.83628  99.91882 13.26081 116.0845 15.57360 
-16.16565      20.45449 
1 1 1 -10 16 23 o 121.7643 8.360765 153.9503       20.57681  130.9191       
29.11238  176.9423       29.08765  110.5062 13.21735 129.5737 11.14781 
-19.06749      17.29081 
1 1 1 -10 16 24 o 110.2326 10.46577 128.9328       23.17891  144.1838       
28.37542  98.34781       40.18342  115.7648 12.23912 89.93340 22.12427 
25.83140       25.28397 
1 1 1 -10 16 25 o 104.4024 9.780965 116.3941       20.52351  134.7420       
29.93972  100.1296       28.18863  110.0160 13.67783 93.62538 15.33690 
16.39060       20.55002 
1 1 1 -10 17 1  o 183.4404 5.114771 342.4903       19.07974  366.7192       
37.54153  334.0526       22.15429  189.3147 9.785052 181.1318 6.014670 
8.182938       11.48580 
1 1 1 -10 17 2  o 403.5423 5.246682 1657.377       43.05517  1578.184       
75.24642  1695.925       52.49850  393.3609 9.406829 408.1185 6.325710 
-14.75760      11.33592 
1 1 1 -10 17 3  o 138.8919 5.499421 196.3409       15.53264  234.9617       
32.46883  184.8794       17.68793  151.3651 10.61563 134.7515 6.454933 
16.61362       12.42408 
1 1 1 -10 17 4  o 139.4335 5.583846 197.8736       15.83259  239.7737       
32.49847  184.8341       18.12957  152.9365 10.51348 134.7339 6.616973 
18.20268       12.42246 
1 1 1 -10 17 5  o 482.3643 5.717321 2368.202       56.08145  2498.321       
103.2248  2313.710       66.80002  494.8745 10.25741 476.6716 6.891376 
18.20294       12.35741 
1 1 1 -10 17 6  o 157.6152 5.323822 252.8181       17.06369  216.8491       
33.06062  265.8795       19.92239  145.3133 11.27636 161.6138 6.061939 
-16.30055      12.80248 
1 1 1 -10 17 7  o 31.43973 11.69622 7.671636       9.992913  -0.9336569     
13.72195  17.38865       14.58140  29.62335 12.70884 42.57730 14.28248 
-12.95395      19.11815 
1 1 1 -10 17 8  o 267.2615 4.074673 726.6816       22.14525  715.0828       
30.90019  738.9298       31.75345  265.0453 5.733103 269.4251 5.795642 
-4.379822      8.152173 
1 1 1 -10 17 9  o 266.6525 4.155731 723.4275       22.53432  725.3411       
31.73454  721.4814       32.00385  266.9200 5.846550 266.2050 5.912003 
0.7149963      8.314681 
1 1 1 -10 17 10 o 253.6373 4.702437 654.7156       24.25424  646.8145       
39.79735  659.3843       30.59200  251.8993 7.769190 254.4712 5.911772 
-2.571945      9.762651 
1 1 1 -10 17 11 o 351.3745 4.408005 1256.533       31.49660  1258.237       
44.67841  1254.849       44.40867  351.4442 6.251581 350.9738 6.222167 
0.4703979      8.820296 
1 1 1 -10 17 12 o 203.3928 4.448987 421.0995       18.40128  411.0602       
25.66771  431.7153       26.39417  200.8403 6.284704 205.8229 6.306130 
-4.982529      8.903077 
1 1 1 -10 17 13 o 312.2070 4.356302 992.3528       27.65744  1020.185       
39.63731  965.9446       38.60998  316.3513 6.161453 307.8258 6.167982 
8.525452       8.718228 
1 1 1 -10 17 14 o 219.1418 4.488832 489.0656       20.00369  494.4149       
28.30409  483.7273       28.27490  220.1639 6.321959 217.7644 6.385028 
2.399506       8.985309 
1 1 1 -10 17 15 o 317.8769 4.523475 1029.331       29.24035  982.4758       
39.81327  1084.202       43.08437  310.2826 6.309850 325.9139 6.500779 
-15.63132      9.059488 
1 1 1 -10 17 16 o 193.2397 5.486019 380.8674       21.55783  353.3685       
25.74689  445.3593       39.42934  185.9761 6.807948 208.3503 9.306235 
-22.37415      11.53057 
1 1 1 -10 17 17 o 119.1355 6.319270 145.3811       15.25471  166.4922       
21.70275  124.7659       21.44637  127.1675 8.440374 109.7620 9.708521 
17.40556       12.86450 
1 1 1 -10 17 18 o 84.11923 8.853741 73.45184       14.91777  78.92733       
20.76702  67.61407       21.44305  86.49223 12.14161 79.52411 13.75774 
6.968124       18.34923 
1 1 1 -10 17 19 o 87.89552 9.258838 80.36923       16.30019  128.0843       
24.18060  40.62792       22.06788  110.7903 10.87293 61.02308 17.09880 
49.76721       20.26301 
1 1 1 -10 17 20 o 67.75043 12.15862 49.10807       16.13572  28.32653       
22.87393  69.69244       22.76516  52.88350 17.88778 80.36313 14.46217 
-27.47963      23.00276 
1 1 1 -10 17 21 o 99.76487 8.944601 103.3599       17.95367  112.7890       
25.59532  94.22684       25.19017  103.2924 12.43528 93.93155 13.58204 
9.360886       18.41489 
1 1 1 -10 17 22 o 171.5511 7.163202 302.2882       24.98918  294.2650       
31.22298  316.5859       41.68070  168.4878 9.147135 173.6640 11.87370 
-5.176254      14.98849 
1 1 1 -10 17 23 o 72.93999 13.01651 57.89926       18.59865  70.32324       
26.20432  45.28739       26.40173  79.08200 16.81234 63.21187 19.00110 
15.87013       25.37118 
1 1 1 -10 17 24 o 97.45940 11.65822 102.3422       22.64648  109.1776       
27.89283  89.12078       38.79272  99.41362 14.20090 85.05065 22.19433 
14.36297       26.34870 
1 1 1 -10 17 25 o 60.61425 15.16921 42.85894       18.65298  11.40551       
26.41037  74.16482       26.34834  43.25116 18.04405 79.13585 16.88745 
-35.88469      24.71384 
1 1 1 -10 18 1  o 254.1141 4.156308 657.0465       21.47770  647.5891       
46.40251  659.6250       24.22935  251.9339 9.057397 254.5873 4.680084 
-2.653366      10.19508 
1 1 1 -10 18 2  o 35.09226 12.97093 9.816535       12.25054  -5.730899      
26.78182  13.93031       13.77625  39.81623 17.41287 39.38087 13.85893 
0.4353600      22.25484 
1 1 1 -10 18 3  o 263.9410 3.973727 708.7358       21.32830  735.9717       
30.95536  684.1211       29.42811  268.8852 5.661317 259.2447 5.582144 
9.640503       7.950525 
1 1 1 -10 18 4  o 299.9292 4.011404 915.1733       24.46620  895.0732       
34.26569  936.0786       34.94518  296.5333 5.682437 303.2506 5.666751 
-6.717316      8.025096 
1 1 1 -10 18 5  o 279.0307 3.978473 792.0677       22.57459  810.6433       
32.34179  774.4191       31.52448  282.2062 5.635676 275.8297 5.620248 
6.376526       7.959147 
1 1 1 -10 18 6  o 227.3496 4.759463 525.9597       22.00410  501.1589       
41.20184  535.8558       26.02653  221.6901 9.139427 229.4447 5.578106 
-7.754669      10.70721 
1 1 1 -10 18 7  o 82.71892 6.672843 70.13423       11.12900  85.15238       
15.68259  54.89893       15.79557  90.99319 8.576530 72.50206 11.06405 
18.49113       13.99893 
1 1 1 -10 18 8  o 204.1982 4.140545 424.2375       17.19336  416.4341       
24.14591  432.2635       24.48786  202.2446 5.871042 206.0538 5.844115 
-3.809219      8.283889 
1 1 1 -10 18 9  o 180.0365 6.038918 330.0655       22.10910  348.1579       
28.63242  303.3474       34.79470  184.8223 7.618198 172.0840 9.986025 
12.73827       12.56016 
1 1 1 -10 18 10 o 410.3067 5.232654 1713.934       43.65983  1678.744       
72.74213  1733.748       54.58503  405.5960 8.819437 412.5277 6.506823 
-6.931641      10.95998 
1 1 1 -10 18 11 o 68.86996 13.08852 50.25182       17.66028  0.000000       
0.000000  50.25182       17.66028  ?        ?        68.86996 13.08852 
0.000000       13.08852 
1 1 1 -10 18 12 o 306.8600 4.307786 958.5370       26.88102  926.3302       
37.30631  993.3149       38.76675  301.4857 6.085051 312.1934 6.106386 
-10.70770      8.620661 
1 1 1 -10 18 13 o 372.8241 4.527644 1415.421       34.32635  1399.137       
48.16420  1432.229       48.93456  370.3953 6.394513 374.7453 6.421376 
-4.349945      9.062222 
1 1 1 -10 18 14 o 214.0177 4.527681 466.5317       19.70502  491.5374       
28.37430  443.2372       27.38618  219.4921 6.357040 208.4173 6.461692 
11.07472       9.064514 
1 1 1 -10 18 15 o 117.7592 6.138953 141.8983       14.64988  136.0454       
20.40915  148.1194       21.04142  114.9085 8.801069 119.9475 8.685249 
-5.038940      12.36497 
1 1 1 -10 18 16 o 169.6701 5.775474 293.7793       19.92711  299.0664       
24.48554  283.4091       34.29202  171.0384 7.039870 165.6992 10.22703 
5.339249       12.41579 
1 1 1 -10 18 17 o 148.6845 5.670825 225.6574       17.14603  265.9997       
24.64312  187.8018       23.87157  161.1911 7.518015 135.0049 8.742151 
26.18619       11.53021 
1 1 1 -10 18 18 o 224.6731 4.877539 514.9024       22.28452  474.4088       
30.70924  559.9440       32.38786  215.2877 7.014528 233.9369 6.808196 
-18.64922      9.775230 
1 1 1 -10 18 19 o 75.10631 12.08252 59.99134       17.82804  62.14027       
31.00062  58.92944       21.79220  74.63058 20.01488 73.63747 15.06084 
0.9931107      25.04844 
1 1 1 -10 18 20 f 202.3767 5.602018 418.5700       23.05454  420.1629       
32.24296  416.9037       32.97753  202.2668 7.838970 201.4257 8.051037 
0.8410339      11.23693 
1 1 1 -10 18 21 o 38.44150 14.93873 10.39136       16.74876  21.40388       
24.11493  0.1284050      23.27979  49.13583 18.19123 38.42021 16.52005 
10.71563       24.57301 
1 1 1 -10 18 22 o 63.68083 15.85875 45.04196       20.45869  48.64746       
26.43073  39.65276       32.31383  65.78493 18.81156 61.32537 21.24601 
4.459564       28.37724 
1 1 1 -10 18 23 o 35.64038 14.76009 5.121073       17.48749  30.67441       
25.63430  -17.12321      23.91701  54.11055 18.91314 32.65533 15.13463 
21.45521       24.22321 
1 1 1 -10 18 24 o 61.77727 17.07291 44.49052       22.16224  59.49335       
27.05259  13.87341       38.64600  70.75134 18.56861 50.72467 21.53235 
20.02666       28.43299 
1 1 1 -10 18 25 o 43.96722 15.87536 20.30203       18.19194  9.509223       
26.67412  29.68774       24.87462  42.40908 17.93924 51.34579 18.55991 
-8.936710      25.81253 
1 1 1 -10 19 1  o 343.5512 5.923717 1202.044       41.38445  0.000000       
0.000000  1202.044       41.38445  ?        ?        343.5512 5.923717 
0.000000       5.923717 
1 1 1 -10 19 2  o 237.4648 5.566167 574.1110       26.87862  0.000000       
0.000000  574.1110       26.87862  ?        ?        237.4648 5.566167 
0.000000       5.566167 
1 1 1 -10 19 3  o 465.8725 6.729157 2210.782       63.74984  0.000000       
0.000000  2210.782       63.74984  ?        ?        465.8725 6.729157 
0.000000       6.729157 
1 1 1 -10 19 4  f 147.6454 4.316805 221.8065       12.96086  253.1079       
19.01022  194.6192       17.71690  157.6693 5.929097 138.2448 6.302132 
19.42447       8.652805 
1 1 1 -10 19 5  o 193.2844 4.014386 380.0858       15.77856  389.3688       
22.48434  371.0784       22.14797  195.5716 5.653574 190.9208 5.704655 
4.650787       8.031562 
1 1 1 -10 19 6  f 323.4160 4.897553 1064.499       32.21010  955.1993       
56.41002  1117.375       39.23514  306.0204 9.064719 331.2877 5.823960 
-25.26727      10.77440 
1 1 1 -10 19 7  o 206.7363 4.893876 434.9794       20.57412  384.7399       
37.86469  456.0258       24.50757  194.1690 9.589657 211.6431 5.694359 
-17.47408      11.15290 
1 1 1 -10 19 8  o 283.3877 4.090936 817.1292       23.57518  799.1000       
32.92590  836.0956       33.77083  280.1452 5.779671 286.5556 5.795373 
-6.410400      8.184800 
1 1 1 -10 19 9  o 318.2183 5.828529 1031.225       37.71686  1044.246       
51.21264  1015.791       55.75588  320.0145 7.869662 315.5254 8.689703 
4.489105       11.72359 
1 1 1 -10 19 10 o 181.2655 4.474721 334.4294       16.49425  356.5019       
23.75403  313.8777       22.92105  187.0594 6.244624 175.5107 6.422135 
11.54875       8.957631 
1 1 1 -10 19 11 o 107.8434 5.968211 118.8638       13.03755  120.1404       
18.39204  117.5743       18.48406  108.1483 8.429509 106.9609 8.570058 
1.187447       12.02092 
1 1 1 -10 19 12 o 222.7955 4.333635 505.3576       19.63406  476.4291       
27.29011  536.3993       28.26929  216.1771 6.207892 229.3938 6.060127 
-13.21675      8.675429 
1 1 1 -10 19 13 o 163.9291 4.779268 273.7331       15.93195  279.9479       
22.45555  267.4339       22.60758  165.6366 6.666776 161.8746 6.867898 
3.761978       9.571517 
1 1 1 -10 19 14 o 319.6597 4.458147 1040.858       28.97969  1071.524       
41.36903  1011.310       40.60849  324.0435 6.277990 314.7951 6.343623 
9.248352       8.924949 
1 1 1 -10 19 15 o 154.5286 5.185424 243.4763       16.29463  238.1793       
23.08108  248.7394       23.00727  152.6127 7.437276 155.9811 7.253401 
-3.368347      10.38869 
1 1 1 -10 19 16 o 73.38329 10.30387 56.46796       14.95247  46.61673       
17.88051  79.37824       27.26777  65.81229 13.80126 85.75450 16.23096 
-19.94221      21.30538 
1 1 1 -10 19 17 o 222.5220 5.525726 505.4362       25.00424  502.9548       
30.17296  510.8759       44.67456  221.7734 6.690477 222.7678 9.861805 
-0.9944305     11.91712 
1 1 1 -10 19 18 o 63.62919 11.50023 43.16469       14.33271  28.39577       
19.74210  59.62447       20.84159  52.11003 16.56552 74.33502 14.30679 
-22.22499      21.88837 
1 1 1 -10 19 19 o 37.31177 14.70877 8.791970       16.43083  -1.349610      
26.47791  15.14293       20.95321  40.40821 17.49613 44.09227 16.81902 
-3.684059      24.26920 
1 1 1 -10 19 20 o 118.5271 7.446514 144.7401       17.85703  133.4899       
25.46739  155.6205       25.04522  112.8513 11.24738 122.2457 10.16712 
-9.394356      15.16159 
1 1 1 -10 19 21 o 26.54029 12.43069 -16.05010      16.82592  -35.23016      
23.35192  4.659592       24.26523  28.02864 13.53998 40.98194 17.21037 
-12.95330      21.89813 
1 1 1 -10 19 22 o 112.0959 9.513613 131.2533       21.48158  136.9890       
27.38706  122.0820       34.63130  113.6530 12.03286 105.2347 16.74397 
8.418381       20.61917 
1 1 1 -10 19 23 o 68.09111 13.89418 51.37254       18.58725  56.72390       
27.89803  47.10092       24.92515  69.79752 19.10023 63.98543 18.25788 
5.812084       26.42289 
1 1 1 -10 19 24 o 49.08818 17.13861 26.06217       21.04688  14.75236       
25.86221  48.24149       36.21697  44.90544 18.19774 63.39844 22.45367 
-18.49300      28.90199 
1 1 1 -10 19 25 o 76.43603 14.21578 67.26915       21.28307  111.3404       
36.48755  44.54199       26.20231  94.33240 19.65855 59.83287 19.09116 
34.49952       27.40312 
1 1 1 -10 20 1  o 386.4633 6.164291 1521.619       48.44432  0.000000       
0.000000  1521.619       48.44432  ?        ?        386.4633 6.164291 
0.000000       6.164291 
1 1 1 -10 20 2  o 376.1856 4.848113 1440.502       37.08739  1378.911       
60.19940  1478.180       47.08392  367.6925 8.051114 380.9512 6.077876 
-13.25864      10.08767 
1 1 1 -10 20 3  o 256.4174 3.930293 668.9860       20.49386  668.3427       
29.24841  669.6064       28.72410  256.2020 5.613948 256.4508 5.507962 
-0.2488708     7.864735 
1 1 1 -10 20 4  o 312.0971 5.638189 991.7302       35.78333  0.000000       
0.000000  991.7302       35.78333  ?        ?        312.0971 5.638189 
0.000000       5.638189 
1 1 1 -10 20 5  o 81.68439 6.194707 68.34151       10.21330  74.63837       
14.48002  62.10729       14.40781  85.13092 8.477055 77.45927 9.334940 
7.671646       12.60958 
1 1 1 -10 20 6  o 336.6730 4.144093 1153.339       28.37195  1142.819       
39.93145  1164.063       40.31936  335.0112 5.861440 338.1104 5.864131 
-3.099152      8.291231 
1 1 1 -10 20 7  o 214.9398 4.846734 470.2266       21.18446  412.4035       
39.16869  494.1347       25.18608  200.9870 9.583403 220.2966 5.622136 
-19.30962      11.11081 
1 1 1 -10 20 8  o 209.9045 4.600537 448.4345       19.63729  419.9318       
30.60785  468.3745       25.60077  202.9622 7.415941 214.4533 5.870418 
-11.49106      9.458223 
1 1 1 -10 20 9  o 395.9225 6.278616 1597.087       50.55051  1553.577       
67.77164  1651.653       75.89440  390.1536 8.542027 402.1434 9.280628 
-11.98981      12.61334 
1 1 1 -10 20 10 o 323.5262 4.236848 1065.352       27.87429  1065.993       
39.29990  1064.704       39.54160  323.4568 5.974804 323.2567 6.015274 
0.2001648      8.478313 
1 1 1 -10 20 11 o 270.2523 4.197874 743.4753       23.07014  733.6765       
32.23600  753.7631       33.03072  268.3121 5.908121 271.9533 5.972720 
-3.641205      8.401147 
1 1 1 -10 20 12 o 247.2556 4.259232 622.4622       21.41553  615.5273       
30.13712  629.5360       30.43739  245.7042 6.031672 248.4854 6.023587 
-2.781158      8.524358 
1 1 1 -10 20 13 o 133.5381 5.348230 181.7662       14.52335  164.9560       
20.37475  199.1300       20.70752  126.7788 7.943144 139.4289 7.329097 
-12.65009      10.80783 
1 1 1 -10 20 14 o 103.6273 6.542610 110.0808       13.71644  100.9804       
19.04859  119.8808       19.76731  98.75224 9.607229 107.7666 9.105340 
-9.014381      13.23654 
1 1 1 -10 20 15 o 232.5298 4.509669 551.0120       21.32430  544.5446       
30.07966  557.5464       30.23515  230.8957 6.406276 233.6430 6.363674 
-2.747284      9.029768 
1 1 1 -10 20 16 o 138.9268 6.338735 197.2110       17.90771  194.0677       
21.93845  203.4870       30.99991  137.4101 7.884184 140.0253 10.97471 
-2.615219      13.51313 
1 1 1 -10 20 17 o 228.1929 5.493504 531.6212       25.49194  516.8939       
30.66130  564.5911       45.87624  224.7847 6.707679 234.1724 9.633867 
-9.387695      11.73901 
1 1 1 -10 20 18 o 77.66906 9.624917 63.10167       14.87620  85.55866       
20.94553  40.24314       21.13196  90.09588 11.70912 60.66270 16.63299 
29.43317       20.34109 
1 1 1 -10 20 19 o 65.00552 13.26522 45.71441       16.94173  48.68817       
28.44074  44.07882       21.09232  66.38989 19.66817 63.28396 16.29277 
3.105934       25.53999 
1 1 1 -10 20 20 o 243.0885 5.181583 603.6868       25.61406  588.0467       
35.81432  620.0630       36.64755  239.3435 7.358403 245.7810 7.332386 
-6.437424      10.38797 
1 1 1 -10 20 21 o 61.31239 13.78038 41.12068       16.76326  52.92028       
24.59791  30.88842       22.90606  68.78988 17.53258 54.17742 17.89300 
14.61246       25.05096 
1 1 1 -10 20 22 o 58.62459 15.90997 38.34970       19.45158  29.85571       
24.70721  52.19745       31.54696  53.64548 18.57826 67.58652 20.86243 
-13.94104      27.93551 
1 1 1 -10 20 23 o 53.49113 15.35391 32.15691       17.57636  37.25715       
25.30584  27.40332       24.43072  57.51468 18.79789 51.48494 18.41942 
6.029736       26.31797 
1 1 1 -10 20 24 o 113.2947 8.935401 135.8165       20.41906  166.3065       
30.34800  110.5966       27.60090  123.4082 12.25509 99.36401 14.05166 
24.04421       18.64501 
1 1 1 -10 20 25 o 33.36134 14.87362 -2.746562      20.45711  -7.968870      
35.77384  -0.2090423     24.93671  41.25377 18.89748 37.37616 16.55565 
3.877605       25.12378 
1 1 1 -10 21 1  o 101.9055 6.752881 106.3356       13.91458  45.82068       
29.79909  123.2093       15.73540  66.17928 20.25114 109.6901 7.092350 
-43.51080      21.45717 
1 1 1 -10 21 2  o 247.4585 5.419811 623.6105       27.27331  0.000000       
0.000000  623.6105       27.27331  ?        ?        247.4585 5.419811 
0.000000       5.419811 
1 1 1 -10 21 3  o 185.3434 4.361642 349.6158       16.43912  369.2770       
27.25129  338.3680       20.61182  190.3376 7.040621 182.2831 5.560558 
8.054535       8.971630 
1 1 1 -10 21 4  o 46.31424 10.03114 22.75939       9.174115  39.19715       
13.75981  9.604489       12.30934  60.90643 11.53184 34.95055 12.98542 
25.95589       17.36676 
1 1 1 -10 21 5  o 302.5198 4.009394 931.2372       24.66516  934.7170       
35.04035  927.8197       34.72538  302.9675 5.687494 301.8501 5.657235 
1.117401       8.021963 
1 1 1 -10 21 6  o 305.9438 4.062530 952.4650       25.27491  901.3511       
34.82669  1009.344       36.73811  297.5027 5.756651 314.8223 5.738519 
-17.31967      8.128324 
1 1 1 -10 21 7  o 351.8394 5.985538 1260.919       42.82517  0.000000       
0.000000  1260.919       42.82517  ?        ?        351.8394 5.985538 
0.000000       5.985538 
1 1 1 -10 21 8  o 284.7821 7.455808 827.0503       43.17764  827.0503       
43.17764  0.000000       0.000000  284.7821 7.455808 ?        ?        
0.000000       7.455808 
1 1 1 -10 21 9  o 153.0952 5.314024 238.7041       16.54385  241.7316       
19.95369  232.0459       29.59110  154.0076 6.371324 150.3452 9.730948 
3.662338       11.63121 
1 1 1 -10 21 10 o 33.72982 12.08397 9.899181       10.51830  5.050785       
14.37656  15.48373       15.42944  33.61612 13.58709 41.46245 14.65880 
-7.846333      19.98723 
1 1 1 -10 21 11 o 259.9320 4.184069 687.8603       22.11617  673.9321       
30.82376  702.6390       31.75081  257.1239 5.895107 262.5371 5.947203 
-5.413177      8.373858 
1 1 1 -10 21 12 o 141.4426 4.957568 203.8326       14.25937  236.7021       
20.33638  172.0432       19.99944  152.3032 6.566185 129.5431 7.625566 
22.76013       10.06300 
1 1 1 -10 21 13 o 151.9343 4.959636 235.2584       15.32347  251.2005       
21.61785  219.1595       21.72384  156.8394 6.778067 146.4455 7.294729 
10.39392       9.957673 
1 1 1 -10 21 14 o 36.72796 12.76048 12.57591       11.66046  21.31518       
15.91028  2.434768       17.13893  45.89962 14.90051 34.58569 14.49103 
11.31393       20.78497 
1 1 1 -10 21 15 o 85.24126 9.391089 75.52544       16.00850  41.79450       
27.85645  92.15837       19.56122  62.73092 19.64400 94.05095 10.40191 
-31.32003      22.22805 
1 1 1 -10 21 16 o 197.4599 5.424320 397.9612       21.78089  431.5290       
27.10183  336.7359       36.60179  205.4504 6.486943 180.5432 10.00859 
24.90727       11.92696 
1 1 1 -10 21 17 o 40.53566 14.48773 14.92327       15.11062  -2.057618      
17.70539  60.45769       28.99314  32.84449 14.26411 73.82172 19.15014 
-40.97722      23.87871 
1 1 1 -10 21 18 o 69.40054 10.99012 51.06515       14.99348  59.35737       
20.36616  41.25272       22.15451  74.12641 14.02459 61.33082 17.11373 
12.79559       22.12620 
1 1 1 -10 21 19 o 112.3458 8.468912 130.6405       19.20572  126.1558       
31.76890  133.2236       24.11049  108.4640 14.78889 112.8932 10.62744 
-4.429161      18.21136 
1 1 1 -10 21 20 o 80.25750 10.60817 67.93944       16.88891  59.03932       
23.09549  78.16898       24.76038  73.19215 15.96639 84.85245 14.89290 
-11.66029      21.83401 
1 1 1 -10 21 21 o 25.45551 11.97834 -16.28472      15.93777  -38.11404      
22.65948  5.087963       22.42122  26.75597 13.02133 39.69086 16.59782 
-12.93489      21.09604 
1 1 1 -10 21 22 o 30.11926 13.79953 -11.48016      19.08795  1.569531       
24.99096  -29.75334      29.57262  39.77999 17.11092 34.05388 16.11308 
5.726116       23.50352 
1 1 1 -10 21 23 o 43.13623 15.74743 17.92874       17.97109  51.12459       
26.70781  -9.536378      24.29333  65.83872 18.93495 34.90917 15.82950 
30.92955       24.68006 
1 1 1 -10 21 24 o 61.66713 14.69915 44.09185       18.17229  35.02441       
26.68903  51.92900       24.81244  54.84504 19.29108 65.35761 18.06593 
-10.51257      26.42960 
1 1 1 -10 22 1  o 146.4535 4.510437 218.3794       13.43290  213.1546       
30.46214  219.6407       14.96666  143.8877 10.48293 146.8524 5.011785 
-2.964706      11.61937 
1 1 1 -10 22 2  o 163.6902 5.438984 272.9295       18.10472  0.000000       
0.000000  272.9295       18.10472  ?        ?        163.6902 5.438984 
0.000000       5.438984 
1 1 1 -10 22 3  o 141.8631 4.566898 204.8693       13.17474  230.9212       
21.68030  189.6164       16.58912  150.4873 7.084580 136.4220 5.979811 
14.06531       9.270890 
1 1 1 -10 22 4  o 329.8131 4.556804 1107.262       30.56186  1196.931       
52.72927  1061.900       37.50375  342.5661 7.569305 322.8821 5.711881 
19.68393       9.482614 
1 1 1 -10 22 5  o 160.3734 4.427186 261.7846       14.43815  270.2660       
22.79704  256.1040       18.65688  162.8289 6.884868 158.5647 5.786036 
4.264221       8.993309 
1 1 1 -10 22 6  o 158.1194 4.582268 254.5004       14.73388  264.4153       
23.09164  247.6919       19.13526  161.0442 7.051122 155.9246 6.034875 
5.119583       9.281058 
1 1 1 -10 22 7  o 435.8747 8.858828 1940.317       78.52164  1940.317       
78.52164  0.000000       0.000000  435.8747 8.858828 ?        ?        
0.000000       8.858828 
1 1 1 -10 22 8  o 471.2522 5.530619 2262.192       53.00032  2205.105       
88.37009  2294.262       66.23513  464.4718 9.356092 474.3441 6.866627 
-9.872314      11.60547 
1 1 1 -10 22 9  o 216.6105 4.130352 477.6018       18.19357  476.3772       
25.38028  478.8963       26.09374  216.2175 5.772371 216.7762 5.919340 
-0.5587311     8.267941 
1 1 1 -10 22 10 o 203.2237 5.875029 420.9785       24.27928  420.9785       
24.27928  0.000000       0.000000  203.2237 5.875029 ?        ?        
0.000000       5.875029 
1 1 1 -10 22 11 o 77.65543 7.442325 62.14979       11.60859  60.33757       
15.95057  64.19067       16.92697  75.97107 10.61458 78.34286 10.92206 
-2.371788      15.23026 
1 1 1 -10 22 12 o 259.9246 4.270389 688.0869       22.57180  670.5949       
30.96615  707.9170       32.97077  256.3993 5.939077 263.4061 6.155337 
-7.006836      8.553410 
1 1 1 -10 22 13 f 160.1540 4.845211 261.4255       15.77982  249.6660       
21.65971  274.7268       23.03588  156.3260 6.813497 163.9733 6.908444 
-7.647263      9.703110 
1 1 1 -10 22 14 o 117.1946 5.820785 140.1932       13.87205  160.4241       
19.28440  118.4991       19.96962  124.9643 7.625213 107.0397 9.265704 
17.92460       11.99988 
1 1 1 -10 22 15 o 181.4271 5.653041 336.0291       20.85623  316.4004       
36.66879  345.4156       25.35729  174.9279 10.35437 183.7808 6.785023 
-8.852905      12.37940 
1 1 1 -10 22 16 o 37.66886 14.09295 11.39533       14.54817  17.24358       
17.52109  -1.587535      26.10559  43.53438 15.59618 40.16462 17.38168 
3.369755       23.35303 
1 1 1 -10 22 17 o 149.8837 6.431140 229.8662       19.60170  228.8211       
23.64594  232.1621       35.04699  149.1181 7.825183 149.1385 11.64849 
-0.2043152E-01 14.03285 
1 1 1 -10 22 18 o 114.9268 6.937355 135.8704       16.13711  168.1328       
23.62086  107.6343       22.09785  127.3707 9.181139 101.3270 10.89561 
26.04375       14.24808 
1 1 1 -10 22 19 o 150.6662 6.212473 232.4337       19.03408  256.2729       
28.24179  212.5926       25.76489  157.3983 8.859532 143.3068 8.884984 
14.09146       12.54728 
1 1 1 -10 22 20 o 59.38391 13.61429 38.54693       16.08948  31.75762       
23.25619  44.77987       22.28292  54.83833 18.02528 63.47536 16.94551 
-8.637028      24.73987 
1 1 1 -10 22 21 o 220.8908 5.499703 499.5220       24.70406  477.1416       
35.07700  521.5482       34.79831  215.0593 8.020709 225.0081 7.605162 
-9.948792      11.05307 
1 1 1 -10 22 22 o 93.62302 11.05714 93.36726       20.64486  102.6433       
26.66903  79.49646       32.61190  97.00369 13.91852 82.50454 19.70818 
14.49915       24.12752 
1 1 1 -10 22 23 o 74.38654 12.61379 61.01015       18.39886  91.93074       
26.25905  31.19082       25.78719  90.50218 14.77832 53.43433 18.94434 
37.06785       24.02679 
1 1 1 -10 22 24 o 35.06573 14.69183 5.649526       17.61654  -1.743900      
25.88186  12.03150       24.04639  37.73386 16.78282 42.00255 17.34443 
-4.268688      24.13487 
1 1 1 -10 23 1  o 332.0829 4.133215 1122.729       27.91168  1110.817       
59.44252  1126.099       31.61357  329.5511 8.869987 332.5210 4.675231 
-2.969818      10.02669 
1 1 1 -10 23 2  o 54.37697 8.986178 31.02152       9.589588  4.854488       
25.87935  35.18630       10.32457  43.00684 17.89511 57.98320 9.052022 
-14.97636      20.05428 
1 1 1 -10 23 3  o 281.2242 4.281477 805.0892       24.48487  794.6121       
39.91504  811.4102       31.00319  279.1064 7.032592 282.2266 5.402030 
-3.120239      8.867879 
1 1 1 -10 23 4  o 119.1631 4.785249 144.5853       11.59572  137.7477       
17.84513  149.5824       15.25537  115.9382 7.611328 120.9865 6.221668 
-5.048347      9.830640 
1 1 1 -10 23 5  o 427.7184 5.138125 1863.118       44.69038  1903.752       
75.87149  1841.529       55.30214  431.7195 8.642223 425.0440 6.398182 
6.675507       10.75290 
1 1 1 -10 23 6  o 247.7675 4.317494 624.9026       21.75341  620.7247       
34.64507  627.6219       27.94993  246.7158 6.905469 248.2135 5.537375 
-1.497696      8.851442 
1 1 1 -10 23 7  o 337.5365 4.681661 1160.044       32.13454  1105.882       
51.24543  1195.144       41.25303  329.1749 7.655562 342.4599 5.923722 
-13.28503      9.679778 
1 1 1 -10 23 8  o 305.8090 4.862395 952.4054       30.23792  964.2429       
55.75447  947.4727       35.99073  307.1179 8.927362 304.9117 5.804504 
2.206177       10.64848 
1 1 1 -10 23 9  o 198.4678 4.143969 401.0081       16.72469  395.4606       
23.19441  407.0163       24.13839  196.9712 5.790673 199.8154 5.940567 
-2.844147      8.295917 
1 1 1 -10 23 10 o 220.0556 4.182689 493.0670       18.71714  487.0041       
25.72772  499.8838       27.28055  218.5560 5.788782 221.3983 6.059370 
-2.842331      8.380093 
1 1 1 -10 23 11 o 143.8024 4.798630 210.6965       14.03249  222.5633       
19.33964  197.5031       20.39205  147.6737 6.440119 138.8561 7.246910 
8.817551       9.694991 
1 1 1 -10 23 12 o 145.8662 4.913272 216.8634       14.57394  217.3301       
19.83795  216.3161       21.48133  145.8722 6.687639 145.4731 7.261511 
0.3990936      9.871882 
1 1 1 -10 23 13 o 185.6608 4.496554 351.2738       16.97663  361.7104       
23.62358  340.1280       24.41304  188.2105 6.172349 182.4561 6.579790 
5.754349       9.021726 
1 1 1 -10 23 14 o 130.1394 5.423991 172.8297       14.35421  176.3313       
20.02859  169.1316       20.58258  131.0157 7.549506 128.2355 7.931904 
2.780136       10.95035 
1 1 1 -10 23 15 o 147.6987 6.144396 222.9374       18.45472  218.9483       
32.99743  224.7531       22.26194  145.0896 11.27237 148.1313 7.390348 
-3.041718      13.47901 
1 1 1 -10 23 16 o 359.3633 4.717416 1317.397       34.47381  1284.518       
47.66612  1353.456       49.91848  354.2888 6.616083 363.6235 6.750843 
-9.334656      9.452324 
1 1 1 -10 23 17 o 111.2819 6.786598 127.3215       15.28436  120.4677       
21.11819  134.8611       22.14937  107.5937 9.758180 113.9146 9.652358 
-6.320831      13.72553 
1 1 1 -10 23 18 o 124.8509 6.773514 160.2503       17.13282  154.5048       
24.53902  165.7148       23.93134  121.7992 9.995553 126.3415 9.381687 
-4.542252      13.70865 
1 1 1 -10 23 19 o 61.24637 12.66883 40.65520       15.25797  10.29672       
22.16615  67.99264       21.03436  42.09144 16.92075 79.40873 13.50978 
-37.31729      21.65239 
1 1 1 -10 23 20 o 42.83642 14.80541 18.01758       15.68738  10.90785       
21.82387  25.61862       22.56533  42.06828 16.83255 50.70298 17.74362 
-8.634697      24.45753 
1 1 1 -10 23 21 o 97.87122 9.353461 100.3323       18.38901  90.57149       
25.79500  110.4190       26.22223  91.14659 14.39484 101.3948 13.01819 
-10.24824      19.40837 
1 1 1 -10 23 22 o 59.22639 16.34291 39.91915       20.32564  25.29592       
26.26844  61.73687       32.08613  50.99093 18.96465 72.00849 20.76710 
-21.01756      28.12348 
1 1 1 -10 23 23 o 28.96986 13.34026 -10.90963      18.14955  -20.98412      
25.56949  -0.6794561     25.76632  32.36446 15.21120 38.55580 16.96490 
-6.191334      22.78571 
1 1 1 -10 23 24 o 95.19157 10.13484 98.32171       19.31684  88.74757       
27.95875  107.0660       26.71962  86.12149 16.56599 96.78813 13.98079 
-10.66664      21.67705 
1 1 1 -10 24 1  o 315.1485 4.033072 1011.243       25.84655  1002.860       
55.94644  1013.518       29.14302  313.0253 8.789043 315.4438 4.543192 
-2.418518      9.893830 
1 1 1 -10 24 2  o 109.8971 4.902234 123.0307       10.95549  112.2792       
27.09608  125.1317       11.97822  103.5868 13.16026 110.8132 5.315564 
-7.226418      14.19323 
1 1 1 -10 24 3  o 326.4543 5.632663 1086.132       37.39276  0.000000       
0.000000  1086.132       37.39276  ?        ?        326.4543 5.632663 
0.000000       5.632663 
1 1 1 -10 24 4  o 251.0091 3.807381 641.2788       19.43423  659.0876       
27.99241  624.7072       27.00261  254.3373 5.412261 247.6196 5.362525 
6.717758       7.619006 
1 1 1 -10 24 5  o 275.1270 3.880963 770.4516       21.71322  791.5162       
31.06505  750.3306       30.36129  278.7169 5.480969 271.3665 5.501898 
7.350403       7.766074 
1 1 1 -10 24 6  o 289.6885 3.947365 854.2034       23.25359  833.4111       
32.37096  876.3725       33.42546  285.9859 5.566209 293.2599 5.604969 
-7.274017      7.899263 
1 1 1 -10 24 7  o 271.0625 3.950182 747.9204       21.77399  692.9043       
29.54779  813.2983       32.21037  260.7556 5.572369 282.4983 5.606971 
-21.74271      7.905025 
1 1 1 -10 24 8  o 404.1861 5.278246 1664.634       43.38328  1568.736       
75.33112  1712.223       53.06697  391.4402 9.463625 409.7220 6.369181 
-18.28183      11.40731 
1 1 1 -10 24 9  o 105.1659 5.480625 113.0394       11.68021  90.01814       
15.65332  141.9597       17.54464  93.45866 8.323483 117.6662 7.369489 
-24.20754      11.11709 
1 1 1 -10 24 10 o 151.8587 5.341166 235.0870       16.49405  236.6269       
19.65744  231.4238       30.31894  152.2738 6.348197 149.8591 10.00653 
2.414688       11.85033 
1 1 1 -10 24 11 o 82.29112 6.932199 69.66884       11.49243  64.72632       
15.36430  75.94650       17.31560  78.82069 9.796977 85.40012 10.17080 
-6.579422      14.12182 
1 1 1 -10 24 12 o 149.5890 4.783088 228.0962       14.54988  221.0526       
19.77489  236.4104       21.48454  147.0923 6.611084 152.0781 6.947170 
-4.985779      9.590078 
1 1 1 -10 24 13 o 121.3593 5.528420 150.3078       13.64349  158.7927       
19.07783  141.4256       19.51936  124.3082 7.583328 117.1711 8.244616 
7.137146       11.20181 
1 1 1 -10 24 14 o 49.34555 12.01244 26.21968       11.94069  37.69860       
16.31214  12.96795       17.52656  59.00183 13.83536 40.77753 15.42340 
18.22430       20.71952 
1 1 1 -10 24 15 o 155.9725 6.090311 248.6791       19.31697  234.2599       
34.73262  255.1366       23.24339  149.9538 11.47728 157.8105 7.242896 
-7.856720      13.57157 
1 1 1 -10 24 16 o 142.1926 6.447216 206.9303       18.64235  210.3090       
22.81349  200.1397       32.34238  142.9075 7.880744 138.3779 11.60058 
4.529572       14.02425 
1 1 1 -10 24 17 o 52.27389 12.90474 29.68925       13.63527  43.97468       
19.42110  15.80250       19.14818  63.27896 15.26802 43.32631 16.17632 
19.95265       22.24378 
1 1 1 -10 24 18 o 68.83679 12.64650 51.06338       17.05046  80.32047       
28.75242  35.19430       21.17555  85.19524 17.18899 56.80865 17.00348 
28.38659       24.17808 
1 1 1 -10 24 19 o 211.2097 5.276748 456.1120       22.66375  440.2542       
32.33292  471.4293       31.77706  206.8613 7.686245 214.1845 7.295821 
-7.323212      10.59752 
1 1 1 -10 24 20 o 286.9734 5.092514 842.1846       29.71840  880.1332       
42.80739  806.8786       41.28999  292.5313 7.196063 280.0690 7.249838 
12.46231       10.21487 
1 1 1 -10 24 21 o 140.8826 10.59127 208.9388       30.12084  208.9388       
30.12084  0.000000       0.000000  140.8826 10.59127 ?        ?        
0.000000       10.59127 
1 1 1 -10 24 22 o 36.97021 15.41925 5.610863       19.27769  9.114655       
24.50750  -0.7549886E-01 31.22102  42.07431 17.45294 42.71283 18.73701 
-0.6385231     25.60626 
1 1 1 -10 24 23 o 47.23943 16.98836 23.86974       20.80751  13.85558       
26.00788  41.67841       34.68276  44.13230 18.10969 59.28273 21.84089 
-15.15042      28.37227 
1 1 1 -10 24 24 o 26.98195 12.65927 -13.98512      17.57874  10.54988       
25.09318  -37.62923      24.63339  41.31227 17.43322 27.45890 13.40999 
13.85337       21.99420 
1 1 1 -10 25 1  o 120.4879 4.628344 147.9122       11.34019  158.8103       
29.44025  146.0135       12.28842  123.5970 11.85896 119.6886 5.048841 
3.908409       12.88898 
1 1 1 -10 25 2  o 101.8704 4.962152 105.7478       10.27944  129.7674       
28.59816  102.1840       11.01565  111.4478 12.85441 99.97011 5.439084 
11.47770       13.95777 
1 1 1 -10 25 3  o 197.2887 4.529162 396.4370       18.17069  390.7353       
36.72621  398.2851       20.90918  195.3327 9.245911 197.6937 5.201071 
-2.360992      10.60839 
1 1 1 -10 25 4  f 44.65125 9.089423 21.14041       7.972588  12.30160       
11.37339  29.67969       11.17901  36.38227 12.60457 52.84113 10.76892 
-16.45886      16.57845 
1 1 1 -10 25 5  o 203.7837 3.777027 422.7220       15.65204  428.7072       
22.09748  416.6956       22.17338  205.1084 5.297949 202.2065 5.392442 
2.901947       7.559543 
1 1 1 -10 25 6  f 282.2080 5.452955 811.7072       31.29339  811.7072       
31.29339  0.000000       0.000000  282.2080 5.452955 ?        ?        
0.000000       5.452955 
1 1 1 -10 25 7  o 525.2722 5.143448 2811.542       54.94019  2772.579       
76.75707  2852.474       78.67266  521.0576 7.244047 528.4873 7.320451 
-7.429688      10.29880 
1 1 1 -10 25 8  o 221.5243 4.782403 499.9593       21.54363  461.2766       
40.31532  515.4207       25.48802  212.1845 9.343404 224.8429 5.574494 
-12.65842      10.87999 
1 1 1 -10 25 9  o 168.5657 4.277660 289.4040       14.66314  299.4035       
20.61001  279.1546       20.86597  171.3192 5.915898 165.3976 6.203802 
5.921616       8.572339 
1 1 1 -10 25 10 o 143.5696 5.373332 210.1921       15.68764  205.9785       
18.46369  221.1300       29.74809  142.0372 6.392413 146.3899 10.05396 
-4.352661      11.91407 
1 1 1 -10 25 11 f 323.3652 4.254163 1065.313       27.97428  1087.385       
39.76986  1043.697       39.35658  326.3770 5.992155 319.7404 6.052968 
6.636597       8.517297 
1 1 1 -10 25 12 o 174.9965 4.498156 312.1352       16.00720  329.1385       
22.39277  294.3674       22.89063  179.5112 6.134296 169.6994 6.633245 
9.811768       9.034906 
1 1 1 -10 25 13 o 197.1759 4.484908 396.3523       17.98286  385.7642       
24.83712  408.0184       26.07093  194.2762 6.286806 199.7797 6.417322 
-5.503448      8.983649 
1 1 1 -10 25 14 o 176.6984 4.760783 318.4860       17.10655  337.4797       
24.18952  299.4834       24.19511  181.6298 6.549210 171.0330 6.956586 
10.59674       9.554383 
1 1 1 -10 25 15 o 300.7134 5.302197 923.4570       32.42351  1000.147       
60.54613  892.6206       38.39264  311.4328 9.560278 295.3594 6.392132 
16.07339       11.50036 
1 1 1 -10 25 16 o 129.0707 6.920126 171.2412       18.09706  173.9824       
22.30738  165.9639       30.95172  129.7480 8.501670 125.6110 12.27414 
4.137070       14.93094 
1 1 1 -10 25 17 o 104.2939 7.127641 112.1464       15.02611  104.5534       
21.37233  119.5682       21.13000  99.81387 10.69615 107.0612 9.814710 
-7.247307      14.51676 
1 1 1 -10 25 18 o 27.18323 12.44644 -9.927852      15.49427  -18.61314      
25.28740  -4.707020      19.60568  33.69144 15.59624 33.29858 14.71803 
0.3928566      21.44442 
1 1 1 -10 25 19 o 46.91564 14.79874 23.31854       15.77913  -0.6300302     
22.70869  45.67573       21.94122  37.49132 16.21811 63.98235 16.68921 
-26.49103      23.27137 
1 1 1 -10 25 20 o 48.21070 14.77163 25.09983       15.84898  36.22791       
22.67704  14.47380       22.15961  57.26854 17.68977 43.92130 17.15114 
13.34725       24.63918 
1 1 1 -10 25 21 f 77.07945 11.50557 63.95659       17.48203  65.84724       
25.32091  62.23445       24.16615  76.09647 16.81128 74.07654 16.46912 
2.019928       23.53404 
1 1 1 -10 25 22 o 93.70116 11.82750 95.24633       22.03463  88.68221       
27.72243  106.5076       36.31094  88.14376 16.05800 94.48097 19.54395 
-6.337212      25.29477 
1 1 1 -10 25 23 o 33.95930 14.89916 -0.3575155     19.74718  8.427431       
24.43847  -16.88385      33.51913  40.67153 17.18580 38.25207 17.79284 
2.419460       24.73736 
1 1 1 -10 25 24 o 77.59480 12.17806 68.30389       18.58331  57.86052       
26.35681  78.62761       26.20538  66.77884 18.67787 79.98681 16.65231 
-13.20797      25.02323 
1 1 1 -10 26 1  o 311.2396 3.988642 986.6389       25.24476  962.1569       
55.56644  993.0063       28.33814  306.3020 8.920953 312.1745 4.463983 
-5.872498      9.975497 
1 1 1 -10 26 2  o 118.0470 4.420010 141.9672       10.61035  159.1730       
28.77765  139.2603       11.41453  123.7671 11.56816 116.8954 4.801854 
6.871651       12.52518 
1 1 1 -10 26 3  o 161.7420 3.959961 266.3903       13.02462  253.4990       
32.22297  268.9078       14.23971  156.8067 10.15997 162.4821 4.309673 
-5.675385      11.03622 
1 1 1 -10 26 4  o 284.3383 3.800953 823.1359       21.97755  812.6008       
30.87029  833.9637       31.29597  282.3244 5.377011 286.0109 5.380894 
-3.686462      7.606988 
1 1 1 -10 26 5  o 305.9243 5.533928 954.2460       34.42699  0.000000       
0.000000  954.2460       34.42699  ?        ?        305.9243 5.533928 
0.000000       5.533928 
1 1 1 -10 26 6  o 277.0803 5.528167 782.7986       31.14858  0.000000       
0.000000  782.7986       31.14858  ?        ?        277.0803 5.528167 
0.000000       5.528167 
1 1 1 -10 26 7  o 312.0074 4.029507 991.3246       25.56631  1005.908       
36.34954  977.0477       35.96597  314.0549 5.691699 309.5132 5.714274 
4.541656       8.065257 
1 1 1 -10 26 8  o 281.1904 4.000123 805.2102       22.87312  805.5996       
32.39819  804.8232       32.29699  281.0346 5.669040 280.9015 5.654010 
0.1331177      8.006613 
1 1 1 -10 26 9  o 222.1937 4.054994 502.8441       18.32202  465.4886       
25.11112  545.3713       26.79309  213.5914 5.781371 231.2048 5.698682 
-17.61342      8.117834 
1 1 1 -10 26 10 o 130.4683 5.639825 173.6945       14.96312  177.6913       
17.64273  163.4525       28.24253  131.8759 6.578838 125.4308 11.19007 
6.445030       12.98071 
1 1 1 -10 26 11 o 127.3003 5.043292 165.2822       13.05554  174.5885       
18.23765  155.5005       18.69758  130.4803 6.897919 123.0199 7.510067 
7.460426       10.19718 
1 1 1 -10 26 12 o 131.3974 5.146609 176.1629       13.75179  188.4906       
19.35200  163.5877       19.54537  135.5309 7.045902 126.1272 7.656735 
9.403656       10.40530 
1 1 1 -10 26 13 o 89.22976 6.728778 81.93114       12.11966  93.13871       
16.80623  69.78748       17.49402  94.78850 8.820144 81.49147 10.82448 
13.29703       13.96296 
1 1 1 -10 26 14 o 67.50930 9.059664 47.72773       12.12349  43.80099       
16.56478  52.25748       17.79127  63.67190 13.22568 69.73772 13.02446 
-6.065826      18.56220 
1 1 1 -10 26 15 o 156.5313 6.097758 250.6753       19.40987  272.5270       
37.08400  242.4303       22.77926  161.6138 11.35594 153.7327 7.286551 
7.881180       13.49263 
1 1 1 -10 26 16 o 98.93459 8.350302 101.4768       16.64272  117.2764       
20.37576  69.80922       28.84683  106.1105 9.545004 79.03085 18.30853 
27.07970       20.64727 
1 1 1 -10 26 17 o 71.20612 10.19052 53.60749       14.33508  57.90122       
19.73940  48.81607       20.85205  73.01170 13.80072 66.43565 15.68588 
6.576050       20.89274 
1 1 1 -10 26 18 o 124.2389 7.583380 159.4169       19.06722  178.9278       
32.74791  149.4103       23.45247  129.9695 12.54651 119.6608 9.722020 
10.30862       15.87238 
1 1 1 -10 26 19 o 100.7089 8.389062 105.4558       17.02411  119.4103       
24.19758  91.77899       23.95568  106.2713 11.37364 92.41595 13.11501 
13.85533       17.35982 
1 1 1 -10 26 20 o 178.3816 5.964850 326.5494       21.63720  320.6767       
31.28190  331.9363       29.96011  175.8386 8.748376 179.1030 8.226009 
-3.264328      12.00838 
1 1 1 -10 26 21 o 65.08569 15.43903 48.05081       20.12550  101.4592       
38.74919  28.32167       23.55114  91.96740 21.15941 51.72205 18.12556 
40.24535       27.86138 
1 1 1 -10 26 22 o 51.95271 16.89656 30.78886       20.45493  50.00066       
27.34667  6.388710       30.81887  64.20586 19.34677 44.00775 18.96539 
20.19812       27.09213 
1 1 1 -10 26 23 o 82.39391 12.94591 76.86166       20.97573  71.10807       
26.29474  86.92987       34.78367  76.21332 17.35490 81.43542 20.89965 
-5.222107      27.16594 
1 1 1 -10 27 1  o 132.0181 4.167254 177.5835       11.18755  222.3943       
29.46074  170.0326       12.09345  146.6936 9.934565 129.1509 4.604700 
17.54277       10.94983 
1 1 1 -10 27 2  f 43.54682 9.023386 20.16770       7.727942  24.63412       
23.87449  19.64496       8.167664  51.38390 18.22707 42.90033 9.601912 
8.483574       20.60152 
1 1 1 -10 27 3  o 57.35603 7.376259 34.19027       8.403953  86.20284       
24.62961  27.33669       8.940509  90.16133 13.87853 50.89878 8.965310 
39.26255       16.52242 
1 1 1 -10 27 4  o 110.7121 4.145824 124.8513       9.333775  125.6631       
13.06032  124.0039       13.34415  110.8241 5.815508 110.0675 5.984334 
0.7566452      8.344603 
1 1 1 -10 27 5  o 68.71863 5.889327 48.53682       8.150325  44.61135       
10.95445  53.40427       12.19820  65.47176 8.423183 71.70911 8.532583 
-6.237350      11.98979 
1 1 1 -10 27 6  o 346.2649 4.120989 1221.252       29.01759  1234.176       
41.17105  1208.495       40.90438  347.7868 5.821399 344.1445 5.844908 
3.642334       8.249342 
1 1 1 -10 27 7  o 396.2122 4.390010 1599.438       35.37079  1596.946       
50.04824  1601.925       49.99549  395.4949 6.222953 396.1152 6.206660 
-0.6203003     8.789071 
1 1 1 -10 27 8  f 92.01398 5.673524 86.71794       10.56415  80.02911       
14.46749  94.35797       15.46199  88.02197 8.175999 95.66325 8.022272 
-7.641281      11.45442 
1 1 1 -10 27 9  o 255.6140 3.987369 665.5781       20.72633  661.2906       
29.09423  669.9962       29.53361  254.5558 5.620469 256.2177 5.668341 
-1.661972      7.982465 
1 1 1 -10 27 10 o 94.01411 6.959397 90.89931       13.21051  85.58810       
15.42325  105.5287       25.59716  90.96462 8.433729 100.0729 12.87711 
-9.108299      15.39311 
1 1 1 -10 27 11 o 81.32389 6.916733 68.15608       11.32993  62.01818       
15.77855  74.68954       16.27905  76.88686 10.35502 84.65716 9.627366 
-7.770302      14.13905 
1 1 1 -10 27 12 o 97.66911 6.197634 97.91512       12.24557  110.4739       
16.99950  84.36943       17.65479  103.4305 8.148312 89.95962 9.809824 
13.47087       12.75255 
1 1 1 -10 27 13 o 101.2512 6.105314 105.2108       12.51191  107.7023       
17.25676  102.4494       18.16736  102.0341 8.391288 99.34787 9.093406 
2.686211       12.37351 
1 1 1 -10 27 14 o 93.30541 10.30316 91.10898       19.22308  0.000000       
0.000000  91.10898       19.22308  ?        ?        93.30541 10.30316 
0.000000       10.30316 
1 1 1 -10 27 15 o 85.16876 9.691511 75.91468       16.48616  72.87044       
30.94550  77.12111       19.48089  80.54224 19.17063 85.36427 11.51621 
-4.822037      22.36372 
1 1 1 -10 27 16 o 172.8922 5.249332 305.5756       18.45572  328.8910       
26.11498  282.3125       26.08570  178.9484 7.176463 165.6569 7.743575 
13.29147       10.55768 
1 1 1 -10 27 17 o 35.37666 13.61629 9.242872       13.81108  20.75714       
19.76703  -1.739202      19.30480  46.53048 16.57665 34.19995 14.87365 
12.33053       22.27130 
1 1 1 -10 27 18 o 142.8201 6.322571 209.2461       18.36262  229.4869       
26.57804  190.7607       25.39937  148.6976 8.829162 135.3773 9.282319 
13.32027       12.81076 
1 1 1 -10 27 19 o 95.80353 8.634604 95.74475       16.64115  92.04868       
23.93140  99.20519       23.15602  92.43513 13.09798 96.40698 12.07645 
-3.971848      17.81566 
1 1 1 -10 27 20 o 54.50852 14.71332 33.18700       16.68862  29.55269       
23.57915  36.83497       23.62346  52.77724 18.15648 57.35636 18.10899 
-4.579117      25.64358 
1 1 1 -10 27 21 o 81.82419 16.72295 76.98998       26.88611  95.72610       
39.63665  61.02248       36.59111  87.98456 22.16423 70.45857 22.56894 
17.52599       31.63242 
1 1 1 -10 27 22 o 102.0590 13.86241 117.0857       28.02562  117.0857       
28.02562  0.000000       0.000000  102.0590 13.86241 ?        ?        
0.000000       13.86241 
1 1 1 -10 27 23 o 113.0256 10.10810 139.0993       22.98738  153.5831       
28.79085  113.6295       38.17917  117.0197 12.28202 92.82262 20.74806 
24.19704       24.11079 
1 1 1 -10 28 1  o 192.3938 3.740084 377.0739       14.63268  384.2776       
35.84832  375.6337       16.02878  193.3200 9.118860 191.9887 4.105568 
1.331268       10.00047 
1 1 1 -10 28 2  o 170.0269 3.733831 294.4617       12.90993  301.1756       
33.07175  293.2547       14.02244  170.8563 9.556951 169.6502 4.064601 
1.206055       10.38539 
1 1 1 -10 28 3  o 196.1306 3.713404 391.7794       14.81048  381.9858       
37.49445  393.5901       16.12149  192.7544 9.565582 196.5537 4.033412 
-3.799301      10.38117 
1 1 1 -10 28 4  o 412.3209 5.201590 1734.123       43.61370  1641.211       
77.36653  1777.403       52.80362  399.6280 9.520194 417.1471 6.224766 
-17.51910      11.37461 
1 1 1 -10 28 5  o 327.8577 3.970762 1094.941       26.47346  1089.975       
37.14735  1100.067       37.73787  326.8188 5.589455 328.3147 5.652435 
-1.495941      7.949342 
1 1 1 -10 28 6  o 231.6533 3.760038 546.5356       17.71259  551.4161       
24.84225  541.4888       25.26179  232.5019 5.254278 230.3797 5.392233 
2.122208       7.528852 
1 1 1 -10 28 7  o 45.72119 9.347960 22.24454       8.398046  23.03941       
11.12629  21.19212       12.80261  46.33642 11.78167 44.79422 13.17578 
1.542202       17.67509 
1 1 1 -10 28 8  o 152.1851 4.224745 236.0092       13.07447  221.2056       
17.76239  253.5142       19.31523  147.1763 5.934886 157.5471 6.028898 
-10.37090      8.459934 
1 1 1 -10 28 9  o 103.1559 6.718442 109.2868       14.01645  127.0133       
26.83959  102.6395       16.43572  110.0688 12.19614 99.71165 8.177692 
10.35718       14.68402 
1 1 1 -10 28 10 o 256.5625 4.854990 671.4637       25.32987  672.5721       
30.16026  668.8105       46.66264  256.6002 5.779985 255.0477 8.996974 
1.552475       10.69363 
1 1 1 -10 28 11 o 167.8117 4.470014 287.1725       15.25396  291.6588       
21.15032  282.3093       22.02070  168.8949 6.158130 166.1102 6.519039 
2.784790       8.967744 
1 1 1 -10 28 12 o 198.8167 4.350695 403.1004       17.58988  407.1647       
24.42129  398.7188       25.35677  199.5472 6.018268 197.4102 6.316448 
2.137024       8.724509 
1 1 1 -10 28 13 o 164.1261 4.748915 274.9222       15.84979  282.2354       
22.06892  267.1316       22.77785  166.0161 6.537013 161.4405 6.938232 
4.575638       9.532660 
1 1 1 -10 28 14 o 26.25015 11.41167 -1.555214      11.35484  -7.654733      
15.82875  4.911207       16.29787  28.47586 12.85700 34.88542 14.32795 
-6.409557      19.25078 
1 1 1 -10 28 15 o 225.4307 6.876006 521.4739       31.52105  533.3766       
46.87470  511.6487       42.58799  226.7645 10.16511 222.4095 9.416346 
4.354980       13.85630 
1 1 1 -10 28 16 o 59.14576 11.82282 37.81938       13.72275  29.59521       
18.92459  46.93885       19.92807  52.34549 16.15853 65.13007 15.30544 
-12.78458      22.25657 
1 1 1 -10 28 17 o 51.98628 16.34982 29.13512       19.27378  39.24963       
24.65900  13.25381       30.89912  59.59271 18.45304 48.39425 19.78509 
11.19846       27.05484 
1 1 1 -10 28 18 o 77.55226 12.51476 64.83440       19.06450  42.14148       
23.22595  111.7001       33.37765  61.28891 17.66666 100.3326 16.96394 
-39.04374      24.49258 
1 1 1 -10 28 19 o 184.8792 6.656387 351.6216       25.02522  361.7032       
30.71715  331.7221       43.15553  186.9978 8.077801 176.8724 12.07054 
10.12538       14.52408 
1 1 1 -10 28 20 o 107.4139 8.549083 120.7432       18.51917  128.5521       
25.98351  112.6810       26.40163  109.4623 11.86281 101.8575 13.04617 
7.604820       17.63317 
1 1 1 -10 28 21 o 51.82306 17.09385 30.28574       20.90809  78.50507       
39.38089  11.35886       24.67257  78.26437 23.13332 42.77074 17.60501 
35.49363       29.07038 
1 1 1 -10 28 22 o 27.95788 13.11797 -15.29404      18.88077  -27.05778      
23.76620  4.833669       31.08738  29.11241 13.95931 42.73923 18.72399 
-13.62681      23.35488 
1 1 1 -10 28 23 o 64.04720 14.32829 49.01170       18.19467  69.68687       
26.75245  31.21769       24.81854  73.72802 18.00020 50.56753 18.49899 
23.16049       25.81123 
1 1 1 -10 29 1  o 208.2712 3.668854 441.9376       15.53857  464.4866       
38.07847  437.4326       17.02014  212.4941 8.812136 207.1623 4.040183 
5.331772       9.694163 
1 1 1 -10 29 2  o 114.1884 4.098478 132.8943       9.516909  157.0130       
27.83198  129.7009       10.12737  122.6667 11.28399 112.7864 4.415590 
9.880341       12.11717 
1 1 1 -10 29 3  o 171.5955 3.680663 299.9430       12.84350  266.9489       
32.00916  306.2743       14.02174  160.6800 9.843729 173.3702 3.977186 
-12.69019      10.61683 
1 1 1 -10 29 4  o 93.07433 4.849929 88.59465       9.147683  95.88510       
25.27785  87.49601       9.812767  95.10334 13.44535 92.44886 5.241178 
2.654480       14.43078 
1 1 1 -10 29 5  o 99.56554 4.355088 101.0465       8.817743  97.41880       
11.91162  105.4445       13.11546  97.46563 6.039661 101.3655 6.395498 
-3.899887      8.796584 
1 1 1 -10 29 6  o 181.7053 3.762950 336.3319       13.90425  333.7974       
19.18386  339.1367       20.18118  180.8640 5.215940 182.2755 5.444610 
-1.411545      7.539881 
1 1 1 -10 29 7  o 20.73212 9.103636 -1.854261      7.386229  -2.857925      
9.615017  -0.4092063     11.53714  23.35902 10.31676 27.19961 11.66070 
-3.840593      15.56944 
1 1 1 -10 29 8  o 41.77715 10.46529 18.71306       8.872027  17.30985       
11.85946  20.49644       13.36976  40.93106 12.81737 44.24990 13.56869 
-3.318844      18.66533 
1 1 1 -10 29 9  o 78.16787 8.352847 63.44586       13.07188  14.45535       
24.05726  83.96967       15.57109  45.67664 17.86105 89.99494 8.613652 
-44.31831      19.82957 
1 1 1 -10 29 10 f 58.31200 9.095663 35.80995       10.43361  41.67389       
14.01095  28.51005       15.63261  62.47092 11.45105 51.39255 14.38817 
11.07837       18.38874 
1 1 1 -10 29 11 o 111.1599 5.469770 126.2421       12.36427  120.4773       
16.94780  132.8017       18.07834  108.0594 7.764336 113.4534 7.884897 
-5.393982      11.06601 
1 1 1 -10 29 12 o 64.35780 8.757553 43.41428       11.16371  42.97418       
15.09514  43.94559       16.58566  63.21781 12.18390 63.69388 13.23723 
-0.4760666     17.99088 
1 1 1 -10 29 13 o 260.1707 4.363228 690.6148       23.08436  723.0516       
32.54376  657.7662       32.74964  265.7971 6.020963 253.4193 6.354999 
12.37788       8.754314 
1 1 1 -10 29 14 o 144.3554 5.945880 213.3407       17.45423  200.0256       
21.49511  239.1140       29.90557  139.2717 7.618594 151.6568 9.748683 
-12.38513      12.37254 
1 1 1 -10 29 15 o 207.8459 6.919822 443.6846       29.24743  399.5041       
42.93330  481.9417       39.95169  195.5310 10.84003 215.8337 9.102578 
-20.30267      14.15497 
1 1 1 -10 29 16 o 55.00967 12.74698 33.09844       13.98026  28.19063       
19.17137  38.67227       20.43082  51.28191 16.32665 58.95920 16.42832 
-7.677288      23.16137 
1 1 1 -10 29 17 o 71.42648 12.23960 55.06877       17.13815  40.71852       
27.69668  63.97242       21.81635  60.71564 19.65499 76.29259 14.59381 
-15.57695      24.48057 
1 1 1 -10 29 18 o 85.38828 9.216246 76.55775       15.74935  65.75043       
22.24131  87.42676       22.30471  77.20884 14.70281 90.19688 12.49627 
-12.98804      19.29584 
1 1 1 -10 29 19 o 126.6849 10.16800 169.0696       25.97388  169.0696       
25.97388  0.000000       0.000000  126.6849 10.16800 ?        ?        
0.000000       10.16800 
1 1 1 -10 29 20 f 41.33268 14.89141 16.65371       15.99472  11.98052       
22.97284  21.05040       22.28284  42.40871 17.16329 46.82511 17.45661 
-4.416397      24.48084 
1 1 1 -10 29 21 o 91.60748 11.82223 91.92202       21.50937  102.0710       
40.85358  88.02976       25.29991  88.86670 22.56531 88.00599 14.65211 
0.8607101      26.90498 
1 1 1 -10 29 22 o 163.8471 7.814830 283.0152       26.03813  279.7136       
31.93975  289.5571       44.95983  161.0151 9.801339 159.1616 14.03473 
1.853500       17.11840 
1 1 1 -10 29 23 o 140.6479 8.394254 212.5624       23.89913  192.7724       
40.96792  222.7714       29.42473  124.8633 16.54182 142.1553 10.24755 
-17.29204      19.45878 
1 1 1 -10 30 1  o 49.47813 7.236992 25.62512       7.066253  22.73734       
22.81984  25.93139       7.431518  49.38456 17.78761 49.70910 7.592595 
-0.3245316     19.34028 
1 1 1 -10 30 2  o 194.5026 3.597993 385.4486       14.23106  390.5056       
36.14927  384.5211       15.48116  194.6880 9.130799 194.2311 3.919524 
0.4568939      9.936507 
1 1 1 -10 30 3  o 18.56211 8.082397 -1.021248      5.714080  -15.77359      
21.26748  0.1265383      5.932205  31.14686 14.37767 19.85447 8.432548 
11.29239       16.66809 
1 1 1 -10 30 4  o 98.50308 4.284432 98.92571       8.582118  114.2355       
25.27077  96.92980       9.124403  104.1957 12.15507 97.48380 4.602784 
6.711884       12.99736 
1 1 1 -10 30 5  o 101.6390 4.079201 105.2948       8.431153  101.6651       
11.12031  110.2021       12.93023  99.62106 5.510684 103.6378 6.163095 
-4.016701      8.267489 
1 1 1 -10 30 6  o 259.8462 3.748141 687.9470       19.80540  671.5149       
27.21146  706.4577       28.88119  256.4750 5.217415 263.0259 5.399645 
-6.550873      7.508501 
1 1 1 -10 30 7  o 126.2817 4.311395 162.5974       11.07158  162.2539       
15.29796  162.9751       16.04382  125.9873 5.971112 126.2349 6.249958 
-0.2475586     8.643850 
1 1 1 -10 30 8  o 41.61131 10.26253 18.59058       8.629620  24.21601       
11.34280  10.85969       13.29711  47.37995 11.81344 36.33088 13.49675 
11.04907       17.93654 
1 1 1 -10 30 9  o 30.65393 12.37133 4.570257       11.89965  -32.02951      
22.94498  18.03605       13.91761  28.42855 13.65380 42.27990 13.94652 
-13.85135      19.51747 
1 1 1 -10 30 10 o 221.5986 4.596160 501.0599       20.71160  486.0732       
25.61497  529.3613       35.20021  218.0367 5.777139 227.0712 7.623104 
-9.034485      9.564886 
1 1 1 -10 30 11 o 121.1813 5.851132 150.2084       14.41872  153.3535       
17.79172  144.1901       24.61152  122.0495 7.200425 117.5398 10.40428 
4.509674       12.65287 
1 1 1 -10 30 12 o 164.2818 4.691021 275.5299       15.67142  284.8813       
21.64303  265.2231       22.72176  166.7583 6.382329 160.7901 6.949142 
5.968170       9.435290 
1 1 1 -10 30 13 f 100.7447 6.307773 104.4051       12.85746  99.79720       
17.65298  109.6115       18.76425  97.90652 8.966135 102.6128 9.086416 
-4.706253      12.76536 
1 1 1 -10 30 14 o 97.05060 7.027361 97.26048       13.77502  122.3083       
19.27804  71.13038       19.69014  108.4451 8.818186 81.53535 12.25454 
26.90972       15.09749 
1 1 1 -10 30 15 o 170.5035 7.491357 299.3748       25.97439  259.1958       
38.89112  331.7285       34.89896  156.5417 12.31660 178.4948 9.650553 
-21.95300      15.64710 
1 1 1 -10 30 16 o 98.07822 7.547252 99.71593       14.93706  116.0683       
21.42901  84.26199       20.83203  105.0862 10.15431 88.84373 11.82428 
16.24248       15.58601 
1 1 1 -10 30 17 o 67.13248 12.51446 49.00574       16.45574  65.52412       
26.49084  38.62681       20.99849  76.02528 17.49794 58.71367 16.75969 
17.31160       24.22943 
1 1 1 -10 30 18 o 47.05767 14.55900 23.99757       15.35353  36.55103       
21.68612  11.38128       21.74032  57.10166 17.23352 41.84700 16.78036 
15.25465       24.05358 
1 1 1 -10 30 19 o 161.4911 6.155706 268.4149       20.21520  268.8416       
29.40271  268.0324       27.83859  160.2585 9.059352 160.2556 8.573530 
0.2914429E-02  12.47306 
1 1 1 -10 30 20 o 63.76304 14.68240 46.41492       18.64442  77.03300       
31.72852  30.26634       23.04242  79.69995 19.69133 52.18626 17.94890 
27.51369       26.64417 
1 1 1 -10 30 21 o 30.53360 14.33323 -17.60855      22.58599  0.000000       
0.000000  -17.60855      22.58599  ?        ?        30.53360 14.33323 
0.000000       14.33323 
1 1 1 -10 30 22 f 57.03157 22.32633 42.71183       37.62197  0.000000       
0.000000  42.71183       37.62197  ?        ?        57.03157 22.32633 
0.000000       22.32633 
1 1 1 -10 31 1  o 64.71626 5.547475 43.13523       7.230057  24.34028       
22.05206  45.39892       7.653079  49.90076 17.53629 66.37821 5.725712 
-16.47745      18.44736 
1 1 1 -10 31 2  o 213.6882 3.582783 465.3359       15.56870  424.3505       
37.55426  473.8417       17.10810  202.8116 9.105732 215.5869 3.902366 
-12.77524      9.906706 
1 1 1 -10 31 3  f 50.74674 6.929829 26.87502       6.964319  10.84037       
21.66672  28.72255       7.354601  42.15154 16.80340 52.46515 7.073774 
-10.31361      18.23164 
1 1 1 -10 31 4  o 157.8919 4.494600 254.3315       14.43119  231.1280       
31.36015  260.5651       16.25450  149.0869 10.40930 159.7510 5.003553 
-10.66414      11.54942 
1 1 1 -10 31 5  o 241.5383 5.203141 595.8342       25.55659  498.9675       
41.03487  657.2159       32.66521  220.0075 9.172004 253.4025 6.339035 
-33.39507      11.14939 
1 1 1 -10 31 6  o 61.68940 6.019613 39.28856       7.455229  52.30124       
9.475169  18.13990       12.07939  71.16281 6.623666 41.67922 12.91676 
29.48359       14.51605 
1 1 1 -10 31 7  f 150.9227 4.229474 232.2882       12.98053  250.4094       
16.73915  204.9545       20.55841  156.5719 5.257367 141.1911 7.184006 
15.38077       8.902238 
1 1 1 -10 31 8  o 93.50510 5.267104 89.59949       9.974389  107.8796       
13.67187  68.79861       14.58411  102.4162 6.599729 81.22540 8.979699 
21.19084       11.14412 
1 1 1 -10 31 9  o 259.5101 9.287892 695.1744       49.01430  695.1744       
49.01430  0.000000       0.000000  259.5101 9.287892 ?        ?        
0.000000       9.287892 
1 1 1 -10 31 10 o 93.04577 5.970598 88.95858       11.23744  88.38714       
15.26924  89.63380       16.59806  92.31467 8.219835 92.81224 8.903558 
-0.4975662     12.11771 
1 1 1 -10 31 11 o 220.4990 4.251512 496.0634       19.06345  510.5984       
26.73244  481.0232       27.19303  223.3529 5.885664 216.7170 6.170399 
6.635925       8.527301 
1 1 1 -10 31 12 o 84.54562 7.053736 73.90359       12.01651  84.67049       
16.51478  61.78981       17.51731  90.05580 9.144845 76.10305 11.69327 
13.95275       14.84455 
1 1 1 -10 31 13 o 95.05917 6.595761 93.17189       12.67112  96.25518       
17.92276  90.09072       17.91659  95.98224 9.299158 92.73553 9.641708 
3.246704       13.39541 
1 1 1 -10 31 14 o 162.3171 5.749975 269.9344       18.97936  267.0102       
23.44345  275.4966       32.33232  161.1003 7.156056 162.5233 9.829190 
-1.422989      12.15821 
1 1 1 -10 31 15 o 109.6959 8.453103 125.1960       18.71104  184.2896       
36.20896  103.6673       21.85523  130.9729 13.80296 98.94077 11.05127 
32.03212       17.68198 
1 1 1 -10 31 16 o 94.60825 8.256958 93.27749       15.72629  115.1762       
22.15273  71.02891       22.32898  104.4425 10.57615 80.50730 14.15573 
23.93524       17.67031 
1 1 1 -10 31 17 o 105.8688 8.680648 117.0334       18.52398  121.3928       
29.91725  114.3231       23.58979  105.5612 14.30541 103.6652 11.37730 
1.896034       18.27806 
1 1 1 -10 31 18 o 129.9477 7.687375 175.3635       20.22376  139.1376       
33.01571  197.1192       25.58570  112.5259 14.78635 137.1826 9.225263 
-24.65673      17.42818 
1 1 1 -10 31 19 o 99.56693 8.660843 104.2459       17.36117  131.0332       
25.18023  79.97297       23.96930  110.4651 11.37191 84.61984 14.44806 
25.84528       18.38659 
1 1 1 -10 31 20 o 122.1358 7.549428 156.1170       18.65838  186.4877       
27.69324  130.8696       25.24961  131.8925 10.40991 109.7425 11.48441 
22.14994       15.50026 
1 1 1 -10 31 21 o 38.91796 15.79547 11.46227       19.51682  36.57223       
36.56658  1.459707       23.07900  55.64032 21.93992 36.68117 16.09989 
18.95915       27.21335 
1 1 1 -10 31 22 o 100.0218 14.15028 118.3284       27.97812  118.3284       
27.97812  0.000000       0.000000  100.0218 14.15028 ?        ?        
0.000000       14.15028 
1 1 1 -10 32 1  o 71.40639 5.069866 52.37206       7.313966  70.01672       
22.84600  50.35713       7.720288  80.18606 14.54641 69.95341 5.470726 
10.23264       15.54113 
1 1 1 -10 32 2  o 117.6388 5.000591 141.3953       11.96254  144.4314       
28.51802  140.7470       13.17797  116.9316 12.17161 117.3060 5.524292 
-0.3743973     13.36659 
1 1 1 -10 32 3  o 204.8212 6.478280 429.9353       26.98274  428.9868       
38.19635  430.8801       38.12248  203.7752 9.217625 204.2379 9.178958 
-0.4627075     13.00838 
1 1 1 -10 32 4  o 50.51838 15.39810 27.34493       17.25044  29.54620       
23.41329  24.73107       25.51338  53.58525 18.09758 51.52865 18.77049 
2.056599       26.07400 
1 1 1 -10 32 5  o 160.6509 10.00139 268.1866       32.51141  268.1866       
32.51141  0.000000       0.000000  160.6509 10.00139 ?        ?        
0.000000       10.00139 
1 1 1 -10 32 6  o 117.9700 3.871285 141.8907       9.287057  128.5495       
12.30078  159.5770       14.16298  112.1428 5.393984 124.9232 5.575195 
-12.78033      7.757439 
1 1 1 -10 32 7  o 122.5285 5.550565 153.5191       13.83012  153.5191       
13.83012  0.000000       0.000000  122.5285 5.550565 ?        ?        
0.000000       5.550565 
1 1 1 -10 32 8  o 128.3624 4.335392 168.1248       11.31664  174.4568       
15.48020  160.8566       16.58516  130.5711 5.830125 125.1088 6.541716 
5.462318       8.762671 
1 1 1 -10 32 9  o 29.79713 11.04934 7.274531       8.903903  9.966456       
12.01564  3.996074       13.26020  34.59249 12.83408 31.53975 12.93538 
3.052742       18.22190 
1 1 1 -10 32 10 o 178.2879 4.230810 324.3564       15.33899  315.2238       
21.10109  334.5900       22.33684  175.4607 5.913894 180.7349 6.077548 
-5.274170      8.480020 
1 1 1 -10 32 11 o 204.1161 4.346795 425.3002       18.04255  451.1534       
25.21476  398.1735       25.82833  209.8773 5.907963 197.0329 6.446236 
12.84442       8.744025 
1 1 1 -10 32 12 o 58.32243 10.04893 36.29384       11.48788  26.20790       
15.43749  48.81026       17.19724  49.13692 14.47252 66.97638 13.09586 
-17.83946      19.51807 
1 1 1 -10 32 13 o 78.53475 8.149064 64.34264       12.82485  78.74527       
17.61081  48.07987       18.71353  86.38859 10.22295 66.01890 14.34881 
20.36969       17.61809 
1 1 1 -10 32 14 o 34.59755 14.10147 5.849859       15.63628  7.016078       
20.64137  4.279510       23.95226  39.08777 16.09746 40.21589 17.00476 
-1.128120      23.41559 
1 1 1 -10 32 15 o 66.85734 11.65258 48.29382       15.26655  40.17050       
25.10228  53.06210       19.23214  59.83003 18.63328 69.32314 14.12215 
-9.493103      23.38021 
1 1 1 -10 32 16 o 91.26544 8.467650 87.05985       15.53622  65.19442       
22.28077  107.7522       21.67483  76.67223 14.82656 100.8366 10.73536 
-24.16437      18.30504 
1 1 1 -10 32 17 o 83.04813 9.699362 72.97276       16.07182  84.98377       
22.46404  60.37791       23.00352  88.49274 12.85967 73.13284 15.91963 
15.35990       20.46474 
1 1 1 -10 32 18 o 70.20345 11.85363 53.71664       16.31976  52.05983       
22.74588  55.47439       23.42850  67.21128 16.71273 69.37147 16.78884 
-2.160187      23.68925 
1 1 1 -10 32 19 o 56.29716 14.60101 36.28516       16.85687  44.45325       
23.53289  27.67748       24.15784  61.27930 17.81757 50.81719 18.30186 
10.46211       25.54259 
1 1 1 -10 32 20 o 93.92178 14.06658 100.2669       26.03940  0.000000       
0.000000  100.2669       26.03940  ?        ?        93.92178 14.06658 
0.000000       14.06658 
1 1 1 -10 32 21 o 41.42683 16.03763 17.03276       19.24659  -7.128656      
35.76548  26.88175       22.83487  40.65910 18.72440 48.04337 17.71870 
-7.384270      25.77897 
1 1 1 -10 32 22 o 38.66164 16.72927 8.541036       24.17694  8.541036       
24.17694  0.000000       0.000000  38.66164 16.72927 ?        ?        
0.000000       16.72927 
1 1 1 -10 33 1  o 112.3352 3.758839 128.7117       8.586593  135.6792       
27.57502  127.9636       9.035835  113.0734 12.18480 111.9881 3.967755 
1.085312       12.81454 
1 1 1 -10 33 2  o 190.5974 6.628795 372.8456       25.69230  371.6515       
36.23630  374.0526       36.43329  189.3971 9.408471 190.0000 9.429601 
-0.6029053     13.32054 
1 1 1 -10 33 3  o 29.30412 13.22840 -7.798698      16.74701  15.30030       
22.89103  -34.40004      24.56521  44.98924 17.46969 29.20782 14.05354 
15.78142       22.42080 
1 1 1 -10 33 4  o 116.0044 8.316632 139.4374       19.48865  150.9148       
28.22303  128.9770       26.94369  119.6294 11.75324 110.3501 12.21165 
9.279305       16.94884 
1 1 1 -10 33 5  o 129.4111 7.866385 173.0182       20.60313  164.3550       
29.37752  181.4037       28.90273  124.9225 11.70071 131.5829 10.89974 
-6.660355      15.99097 
1 1 1 -10 33 6  o 44.16160 6.357315 20.39114       5.544597  15.69057       
6.863847  29.21880       9.406225  38.22357 8.982518 52.44051 9.153593 
-14.21694      12.82474 
1 1 1 -10 33 7  o 145.3673 5.284184 216.0802       15.62054  216.0802       
15.62054  0.000000       0.000000  145.3673 5.284184 ?        ?        
0.000000       5.284184 
1 1 1 -10 33 8  o 183.3480 3.880193 342.8672       14.46708  350.9462       
20.32278  334.5670       20.59910  185.2269 5.395448 180.8105 5.602387 
4.416412       7.778020 
1 1 1 -10 33 9  o 101.5090 5.227204 105.6516       10.75347  113.3614       
14.81854  97.07527       15.62922  104.8201 6.992115 96.73345 8.017550 
8.086639       10.63818 
1 1 1 -10 33 10 o 96.10844 6.312062 95.13854       12.26770  78.05786       
18.27811  109.1401       16.54880  85.93342 10.69077 102.5868 7.995893 
-16.65340      13.35016 
1 1 1 -10 33 11 f 133.3726 6.886158 183.3132       18.61276  173.6763       
23.02256  201.4967       31.62452  129.2588 8.811296 138.3141 11.34346 
-9.055313      14.36360 
1 1 1 -10 33 12 f 81.20589 7.487517 68.51525       12.22524  82.22256       
17.00719  53.85985       17.58552  88.45256 9.609805 70.43474 12.74696 
18.01782       15.96350 
1 1 1 -10 33 13 o 254.2688 4.405188 660.6561       22.77765  639.3822       
31.63486  683.5579       32.82290  249.5190 6.234632 257.9858 6.256474 
-8.466843      8.832560 
1 1 1 -10 33 14 o 60.62144 12.19647 40.12317       14.51452  31.73918       
17.67203  57.50263       25.44366  53.44866 15.41134 70.92941 17.69765 
-17.48074      23.46735 
1 1 1 -10 33 15 o 168.8063 5.341478 292.0837       18.33587  290.0125       
25.90707  294.1624       25.95467  167.5160 7.605201 168.7248 7.564587 
-1.208817      10.72670 
1 1 1 -10 33 16 o 29.01116 13.00966 -5.776214      15.89612  -8.829409      
25.07132  -3.723717      20.55612  35.97916 16.21874 34.13318 15.07955 
1.845978       22.14589 
1 1 1 -10 33 17 o 67.89805 11.95108 50.30134       15.89859  42.14430       
22.22421  58.85125       22.75312  60.54353 17.22800 71.92387 15.97250 
-11.38033      23.49308 
1 1 1 -10 33 18 o 61.16937 13.50803 42.05300       16.35378  34.05887       
23.02412  50.19267       23.23276  54.71169 17.93278 65.45455 17.22193 
-10.74286      24.86321 
1 1 1 -10 33 19 o 119.1935 7.623507 148.9012       18.38137  171.1913       
26.48406  128.1843       25.53242  126.2564 10.40801 108.3329 11.77977 
17.92347       15.71908 
1 1 1 -10 33 20 o 118.2762 7.688516 147.7702       18.39190  145.8727       
26.51285  149.5303       25.53486  114.9207 11.49940 116.8483 10.87101 
-1.927582      15.82451 
1 1 1 -10 33 21 o 33.20448 14.69487 0.3879192      19.60407  14.15759       
39.00288  -4.266781      22.67675  46.60434 20.67109 33.62764 15.26582 
12.97670       25.69707 
1 1 1 -10 34 1  o 263.6045 4.466062 709.9842       23.94026  734.5689       
48.22808  701.9454       27.57790  266.2039 8.909107 261.8882 5.178380 
4.315704       10.30475 
1 1 1 -10 34 2  o 88.62494 10.76823 83.14088       19.00800  86.88189       
26.27748  79.03506       27.52890  89.05381 15.04651 84.19960 16.66771 
4.854210       22.45462 
1 1 1 -10 34 3  o 176.7850 6.776348 321.1187       24.36086  331.3709       
34.96271  311.4450       33.96199  178.3770 9.674801 172.9059 9.698142 
5.471191       13.69875 
1 1 1 -10 34 4  o 51.70241 15.30411 29.17617       17.22523  9.590463       
25.22060  46.29981       23.58216  43.52498 17.84385 64.19621 17.55802 
-20.67123      25.03371 
1 1 1 -10 34 5  o 76.37112 16.82268 65.18182       25.42044  0.000000       
0.000000  65.18182       25.42044  ?        ?        76.37112 16.82268 
0.000000       16.82268 
1 1 1 -10 34 6  o 62.55216 19.15809 43.64894       26.66241  0.000000       
0.000000  43.64894       26.66241  ?        ?        62.55216 19.15809 
0.000000       19.15809 
1 1 1 -10 34 7  o 179.9103 4.004578 330.2877       14.65090  304.9760       
21.24943  353.2229       20.22733  172.4815 6.058338 185.7901 5.353830 
-13.30865      8.084984 
1 1 1 -10 34 8  o 207.3789 3.881359 438.7742       16.36816  422.1489       
22.67966  456.8475       23.64676  203.0638 5.492280 211.2411 5.504802 
-8.177322      7.776116 
1 1 1 -10 34 9  o 21.83562 9.718557 -3.063995      8.694183  0.6393669      
11.56081  -7.885150      13.19063  27.64747 11.75778 25.31637 11.55058 
2.331097       16.48215 
1 1 1 -10 34 10 o 138.8807 4.700643 197.1649       13.27549  193.1915       
18.47097  201.4105       19.09325  137.1138 6.624562 139.9814 6.707459 
-2.867645      9.427345 
1 1 1 -10 34 11 o 90.01511 7.625621 84.17139       13.82742  88.10244       
16.02294  72.70296       27.36779  91.82504 8.683928 80.25452 17.28047 
11.57051       19.33974 
1 1 1 -10 34 12 o 49.68217 11.19835 26.90286       11.04307  8.420687       
14.95474  49.06611       16.37642  35.53698 14.02508 67.13396 12.45426 
-31.59698      18.75664 
1 1 1 -10 34 13 o 152.8755 5.763580 239.8453       17.91767  252.8218       
22.26805  216.0154       30.17618  156.6154 6.991916 143.2396 10.43144 
13.37579       12.55793 
1 1 1 -10 34 14 o 34.23989 12.94366 9.554499       12.33964  16.78023       
17.03975  1.586743       17.89329  42.20874 15.34534 34.15193 14.57827 
8.056808       21.16613 
1 1 1 -10 34 15 o 32.27066 13.10960 5.376502       13.45762  -23.81873      
18.93853  35.15495       19.12675  26.23701 12.54893 55.84361 16.01317 
-29.60660      20.34446 
1 1 1 -10 34 16 o 86.04905 10.05474 78.69985       17.26238  83.46704       
28.09261  75.80783       21.88071  85.63212 16.73254 83.08344 13.40721 
2.548683       21.44135 
1 1 1 -10 34 17 o 77.45638 10.44191 64.41539       16.02793  50.70640       
22.10048  79.62575       23.27925  66.19768 16.48128 84.62356 14.01850 
-18.42588      21.63679 
1 1 1 -10 34 18 o 91.06565 9.349266 88.30604       17.06778  86.75536       
24.37855  89.79687       23.90344  87.83933 14.12679 89.74175 13.51770 
-1.902420      19.55235 
1 1 1 -10 34 19 o 61.38585 13.78211 43.52864       16.78276  50.93544       
23.91777  36.34471       23.55520  64.39231 17.71187 54.91132 18.14522 
9.480991       25.35664 
1 1 1 -10 34 20 o 125.6925 7.466187 167.2823       18.99787  204.9828       
28.23439  136.0926       25.68088  136.8761 10.21742 110.2575 11.62924 
26.61859       15.48014 
1 1 1 -10 34 21 o 30.50776 13.95639 -5.676654      19.42283  -68.68690      
37.82187  16.89201       22.63551  30.50500 15.20470 41.48843 16.94471 
-10.98343      22.76634 
1 1 1 -10 35 1  o 140.9509 11.11072 209.9157       31.58825  0.000000       
0.000000  209.9157       31.58825  ?        ?        140.9509 11.11072 
0.000000       11.11072 
1 1 1 -10 35 2  o 184.1266 9.891451 354.4487       36.90067  0.000000       
0.000000  354.4487       36.90067  ?        ?        184.1266 9.891451 
0.000000       9.891451 
1 1 1 -10 35 3  f 61.75024 14.68563 42.39823       18.17175  17.65545       
25.23799  69.03404       26.18566  47.12566 18.33110 78.29688 16.93857 
-31.17121      24.95885 
1 1 1 -10 35 4  o 160.6655 7.253767 265.8961       23.69942  266.6481       
34.59439  265.2312       32.53262  159.3427 10.73896 159.2077 10.10086 
0.1349487      14.74288 
1 1 1 -10 35 5  o 53.56470 15.02491 31.71843       17.02992  12.73606       
24.24139  50.21549       23.92951  44.22922 17.72508 66.60372 17.45614 
-22.37450      24.87761 
1 1 1 -10 35 6  o 124.6251 8.251353 161.2250       20.79304  142.2350       
29.12998  180.9516       29.68961  115.4356 12.61468 130.9422 11.25947 
-15.50663      16.90875 
1 1 1 -10 35 7  f 127.9721 3.899021 167.1416       10.14664  148.4076       
13.36827  192.6015       15.58433  120.3701 5.461414 137.1022 5.589746 
-16.73215      7.814877 
1 1 1 -10 35 8  o 108.9011 4.640004 121.2376       10.27548  122.9018       
13.92982  119.2512       15.21907  109.2219 6.298402 107.4154 7.005749 
1.806526       9.420743 
1 1 1 -10 35 9  o 208.8770 4.053159 445.4976       17.21613  423.8931       
23.72861  469.5120       25.01702  203.3171 5.739143 213.9747 5.749390 
-10.65764      8.123623 
1 1 1 -10 35 10 o 71.27119 9.720323 53.84819       13.72049  39.25542       
28.58395  58.21709       15.64008  59.67822 19.99711 73.84192 10.72960 
-14.16370      22.69381 
1 1 1 -10 35 11 o 131.4092 5.907319 177.2947       15.78584  176.2241       
18.51607  180.1433       30.20353  130.5782 6.998582 130.2556 11.52160 
0.3226318      13.48063 
1 1 1 -10 35 12 o 65.44659 9.129006 45.40126       11.81880  41.11508       
15.75884  50.91137       17.86771  61.02578 13.09104 67.96101 13.40503 
-6.935226      18.73686 
1 1 1 -10 35 13 f 192.9439 5.339337 381.8055       20.94932  347.4749       
25.39683  454.9010       37.05817  183.5727 6.803307 209.1109 8.714766 
-25.53828      11.05586 
1 1 1 -10 35 14 o 28.24979 12.16525 -0.1295726     12.66115  -18.60255      
17.21277  21.64872       18.68936  25.89776 12.26530 46.05888 16.14633 
-20.16112      20.27663 
1 1 1 -10 35 15 o 139.9906 6.094567 201.7046       17.34975  155.3977       
24.13735  251.2043       24.95561  121.3279 9.868642 155.3889 7.923954 
-34.06099      12.65619 
1 1 1 -10 35 16 o 51.84035 13.75684 30.21520       14.74261  17.70173       
21.42870  41.46097       20.31429  44.53162 17.00350 59.99830 16.24902 
-15.46669      23.51913 
1 1 1 -10 35 17 o 30.46867 13.27493 -0.7587483     15.43571  9.869677       
21.48125  -12.10525      22.19504  40.17705 16.46926 32.16457 14.78946 
8.012482       22.13515 
1 1 1 -10 35 18 o 41.35778 14.80274 17.67245       15.78024  11.28660       
22.14880  24.25558       22.48833  40.78627 16.72159 47.74858 17.58769 
-6.962303      24.26805 
1 1 1 -10 35 19 o 70.63589 12.45673 56.74166       17.23897  65.43862       
24.82163  48.63779       23.96035  72.82617 17.05977 62.06514 17.95928 
10.76103       24.77037 
1 1 1 -10 35 20 o 35.21129 14.43073 9.276737       16.48829  -10.51602      
23.73761  27.72919       22.91980  32.34982 15.02273 47.68623 17.71880 
-15.33641      23.23012 
1 1 1 -10 35 21 o 44.07695 16.19278 24.24914       19.04486  57.34665       
38.16170  13.27201       21.97730  58.65513 22.61759 38.96996 16.37288 
19.68517       27.92180 
1 1 1 -10 36 1  o 138.9758 7.931327 200.7026       22.32195  212.5249       
31.21412  188.3286       31.93421  141.6854 10.91778 132.8089 11.95239 
8.876434       16.18819 
1 1 1 -10 36 2  o 108.5574 9.076957 123.4663       19.85399  150.4871       
27.58381  94.41929       28.59927  118.8886 11.55539 92.04381 15.85151 
26.84483       19.61625 
1 1 1 -10 36 3  o 102.0381 9.450457 109.3685       19.38686  98.43681       
26.60990  121.7352       28.30264  94.86609 14.23283 106.0589 13.42336 
-11.19276      19.56426 
1 1 1 -10 36 4  o 115.2700 8.730468 138.6706       20.31283  150.7054       
29.01072  127.0959       28.45083  118.7973 12.18109 108.5699 13.15500 
10.22739       17.92856 
1 1 1 -10 36 5  o 141.5646 7.497459 207.4385       21.50651  223.9105       
31.04437  192.2380       29.82203  145.8607 10.53721 134.9067 10.96546 
10.95399       15.20770 
1 1 1 -10 36 6  o 232.4449 6.428604 555.5488       30.38702  513.5156       
42.46153  599.6730       43.50494  222.0751 9.402522 240.2747 8.903874 
-18.19962      12.94938 
1 1 1 -10 36 7  o 152.8166 3.729155 238.3512       11.58864  223.8999       
15.08582  259.1557       18.10067  147.8841 5.016446 158.9677 5.599307 
-11.08363      7.517777 
1 1 1 -10 36 8  o 144.8979 4.052551 214.4535       11.94104  216.0368       
16.22290  212.5815       17.64037  145.1540 5.496017 143.8661 6.029731 
1.287964       8.158668 
1 1 1 -10 36 9  o 57.21983 8.334805 34.61612       9.413370  25.98012       
12.38212  46.44278       14.49005  48.57058 12.47182 65.57189 11.27315 
-17.00132      16.81161 
1 1 1 -10 36 10 o 44.03527 13.33899 21.02657       12.97463  -4.280591      
25.13257  30.22187       15.14950  37.55212 16.62770 52.11161 13.99833 
-14.55949      21.73554 
1 1 1 -10 36 11 o 63.77190 10.29747 43.66439       12.89901  48.10901       
15.00242  31.06359       25.26057  66.61113 11.49061 53.92373 18.77887 
12.68740       22.01545 
1 1 1 -10 36 12 f 134.4250 5.477777 185.4886       14.97393  175.5394       
20.15748  197.7387       22.36715  129.9702 7.660650 137.8316 8.014740 
-7.861465      11.08700 
1 1 1 -10 36 13 o 91.80714 8.193922 88.23944       15.13670  86.35262       
18.44492  92.13074       26.48866  90.09055 10.25057 91.03125 14.81910 
-0.9406967     18.01888 
1 1 1 -10 36 14 o 121.3645 6.223314 152.1209       15.30741  149.0283       
20.88464  155.7108       22.50156  119.2570 8.671104 121.7084 9.158745 
-2.451439      12.61232 
1 1 1 -10 36 15 o 141.7751 6.720361 207.7259       19.37510  181.8963       
30.58714  225.0352       25.03915  130.1183 11.68431 146.6637 8.430949 
-16.54538      14.40847 
1 1 1 -10 36 16 o 26.93942 12.25083 -7.179806      14.68500  -3.003886      
20.55021  -11.53732      20.99228  33.98057 15.04147 31.36341 14.40705 
2.617159       20.82808 
1 1 1 -10 36 17 o 43.99137 14.55325 21.30807       15.15086  3.374992       
21.13109  40.28040       21.73476  36.70518 15.75968 58.11972 17.18787 
-21.41455      23.31931 
1 1 1 -10 36 18 o 29.21545 13.05717 -3.538023      15.86933  -15.55764      
22.57489  8.203981       22.31266  30.89872 14.44863 39.05065 16.45677 
-8.151930      21.89950 
1 1 1 -10 36 19 o 71.31875 11.67936 57.80508       16.35198  64.26073       
24.21542  52.39392       22.17009  71.36710 16.93946 64.37407 16.76858 
6.993027       23.83549 
1 1 1 -10 36 20 o 127.8885 7.435172 175.1151       19.25286  173.5687       
27.97263  176.5070       26.53919  123.4087 11.27084 125.3245 10.51066 
-1.915810      15.41122 
1 1 1 -10 37 1  o 35.49200 14.87327 4.401608       18.05995  -10.59173      
24.23592  23.12259       27.08162  34.60382 15.73705 50.00448 19.10993 
-15.40065      24.75569 
1 1 1 -10 37 2  o 65.97288 14.06024 48.59368       18.28616  48.31726       
24.75005  48.92594       27.13531  64.53065 18.11746 64.73038 19.21947 
-0.1997299     26.41270 
1 1 1 -10 37 3  o 101.2564 9.449566 107.9955       19.23259  119.8892       
27.40609  96.45468       26.99652  105.1311 13.10377 93.40021 14.69955 
11.73089       19.69227 
1 1 1 -10 37 4  o 69.20950 13.37461 52.84674       18.14222  47.05477       
25.36589  58.91243       25.95831  63.81192 18.48252 71.38097 17.91202 
-7.569050      25.73799 
1 1 1 -10 37 5  o 76.99799 12.18208 64.29853       18.43975  77.72709       
27.98343  53.99256       24.51493  82.55024 17.22672 68.48745 17.52875 
14.06279       24.57676 
1 1 1 -10 37 6  o 55.24715 14.75744 34.23139       16.89363  29.90872       
23.59527  38.77794       24.19856  52.87379 18.16423 58.52111 18.30613 
-5.647320      25.78864 
1 1 1 -10 37 7  o 174.2156 4.761150 310.7323       16.86748  232.9103       
33.44348  337.2821       19.53397  148.1799 11.18101 181.3580 5.296666 
-33.17805      12.37213 
1 1 1 -10 37 8  o 76.30435 5.673999 60.10973       8.741229  59.87920       
10.97622  60.50944       14.45313  75.80778 7.206825 75.51031 9.631867 
0.2974701      12.02960 
1 1 1 -10 37 9  o 162.8465 4.257637 271.1875       14.09933  266.2605       
19.25070  276.8886       20.70787  160.9427 5.881984 164.0218 6.208440 
-3.079086      8.552337 
1 1 1 -10 37 10 o 118.0441 6.642223 144.1541       15.87963  117.6249       
31.69019  153.0487       18.34957  102.6282 15.68253 121.3707 7.470946 
-18.74249      17.37115 
1 1 1 -10 37 11 o 83.40028 8.347126 73.04396       13.96642  71.89131       
16.09152  76.56385       28.11986  82.24075 9.815794 81.42903 17.50262 
0.8117218      20.06717 
1 1 1 -10 37 12 o 80.71838 8.750053 68.72688       14.13268  53.68165       
16.96777  102.8080       25.53773  69.94418 12.38265 96.89630 13.31227 
-26.95212      18.18094 
1 1 1 -10 37 13 o 60.16205 10.88380 39.38244       12.82525  54.54886       
17.59811  22.20222       18.73005  70.31341 12.77838 46.21581 16.16600 
24.09760       20.60647 
1 1 1 -10 37 14 o 73.28574 9.426062 57.24007       13.72194  77.52783       
19.00402  35.14133       19.83409  84.68303 11.31890 55.35563 16.43062 
29.32740       19.95201 
1 1 1 -10 37 15 o 89.55904 9.462750 85.33829       16.97271  101.8168       
27.65658  75.38258       21.49688  95.12340 14.77702 82.38894 13.28248 
12.73446       19.86919 
1 1 1 -10 37 16 o 131.3896 6.569319 179.0131       17.55224  187.8375       
25.39500  170.9418       24.28727  132.9164 9.457164 126.7496 9.491731 
6.166779       13.39891 
1 1 1 -10 37 17 o 44.98463 14.75312 22.89896       15.58234  41.27361       
21.94115  4.200538       22.13361  58.19749 17.28299 37.37709 16.09022 
20.82040       23.61349 
1 1 1 -10 37 18 o 96.23959 8.693456 99.56913       16.82998  120.3928       
24.40244  80.67840       23.24228  103.6591 11.78596 82.88609 14.30646 
20.77297       18.53601 
1 1 1 -10 37 19 o 68.20924 12.32819 54.36219       16.47055  68.59063       
24.63538  42.86155       22.14836  72.81065 16.95477 56.82454 17.47073 
15.98611       24.34524 
1 1 1 -10 37 20 o 95.68071 9.435024 102.3374       18.11875  79.63404       
26.62131  121.9303       24.73058  76.32123 17.52286 101.5532 12.22072 
-25.23198      21.36344 
1 1 1 -10 38 1  o 56.61926 15.81764 36.73967       18.91422  28.06194       
25.60532  47.16127       28.06046  51.77687 18.81290 63.09229 19.70905 
-11.31542      27.24651 
1 1 1 -10 38 2  o 133.9041 8.060487 187.1477       21.84631  227.2320       
30.47376  144.7659       31.33493  146.4347 10.29922 114.9147 13.67786 
31.51995       17.12185 
1 1 1 -10 38 3  o 28.04366 12.90819 -10.84495      16.96808  6.958263       
23.61530  -29.84591      24.39676  40.55973 17.00285 29.60844 14.18289 
10.95129       22.14162 
1 1 1 -10 38 4  f 123.2603 8.478609 158.9457       21.12273  141.6810       
28.97425  178.5294       30.85884  114.3785 12.66991 128.9681 11.90070 
-14.58955      17.38256 
1 1 1 -10 38 5  o 120.8168 8.455520 152.6728       20.64299  186.9510       
29.38449  119.2710       29.00639  132.5217 11.00337 104.1518 14.05432 
28.36992       17.84931 
1 1 1 -10 38 6  f 112.2179 8.909841 132.2111       20.16488  130.2178       
28.24941  134.2820       28.79325  109.5005 12.93639 111.1923 12.97817 
-1.691795      18.32438 
1 1 1 -10 38 7  o 222.0715 6.714785 509.0800       30.32329  500.6024       
42.09507  518.2239       43.71819  218.5957 9.469746 222.2681 9.672384 
-3.672470      13.53629 
1 1 1 -10 38 8  o 114.2682 4.536093 133.6984       10.54044  137.4579       
13.48229  127.7881       16.90444  115.6216 5.734206 110.7880 7.548352 
4.833557       9.479384 
1 1 1 -10 38 9  o 74.34164 6.755246 57.53492       10.10086  61.06415       
12.88821  51.91562       16.26276  76.11435 8.470406 68.86854 12.05139 
7.245811       14.73037 
1 1 1 -10 38 10 o 31.17758 12.94608 3.729803       13.50436  -25.93747      
27.31177  13.33004       15.53645  32.77709 15.50156 38.79754 14.55422 
-6.020451      21.26320 
1 1 1 -10 38 11 o 72.65759 9.494843 56.27901       13.69327  52.22467       
15.61703  69.76129       28.47869  69.22406 11.49741 76.84477 18.45621 
-7.620712      21.74447 
1 1 1 -10 38 12 o 133.8275 6.180814 184.7056       16.82063  181.0341       
20.41206  192.4741       29.69160  131.7915 7.649277 134.2059 10.97558 
-2.414474      13.37814 
1 1 1 -10 38 13 o 35.64790 13.25076 11.35676       12.82052  5.976398       
16.99700  18.45810       19.52706  35.26098 14.57309 43.94039 16.34936 
-8.679409      21.90152 
1 1 1 -10 38 14 f 46.80784 13.58862 24.61180       13.69721  13.34269       
18.84293  37.23847       19.94564  40.43432 15.80837 56.57729 16.38993 
-16.14297      22.77135 
1 1 1 -10 38 15 o 42.01291 14.83412 18.36620       15.79577  23.63206       
25.39119  15.04169       20.17494  48.57400 18.51801 41.85789 16.35962 
6.716106       24.70938 
1 1 1 -10 38 16 o 94.57333 8.644195 95.22440       16.44053  91.47530       
23.32561  98.92552       23.17594  90.15860 13.10637 94.27319 12.38924 
-4.114594      18.03525 
1 1 1 -10 38 17 o 28.05722 12.69257 -5.182361      15.51329  -7.507568      
22.64141  -3.124830      21.29835  33.10159 15.11435 33.60112 15.06407 
-0.4995270     21.33939 
1 1 1 -10 38 18 o 57.78138 13.96843 40.38265       16.23173  15.15523       
22.86845  65.99622       23.04281  41.25450 16.96129 72.64945 16.02741 
-31.39495      23.33588 
1 1 1 -10 38 19 o 96.13637 9.081299 102.1825       17.54334  98.34335       
25.98998  105.3959       23.77746  88.67957 14.94350 94.19000 12.74092 
-5.510437      19.63770 
1 1 1 -10 38 20 o 50.80130 14.90188 34.41121       16.39663  40.19926       
25.50994  30.33663       21.40350  51.34093 18.75899 46.51466 17.15446 
4.826275       25.41998 
1 1 1 -10 39 1  o 169.3351 7.313241 297.8486       25.18305  302.7912       
35.70613  292.9566       35.52299  168.5972 10.46626 165.7347 10.59553 
2.862503       14.89322 
1 1 1 -10 39 2  o 58.07600 15.45603 38.82375       18.57489  54.02298       
25.08103  20.36054       27.64319  67.50204 17.95787 48.38008 19.07634 
19.12196       26.19908 
1 1 1 -10 39 3  o 94.94190 10.26149 96.30984       19.49649  114.5084       
27.13121  76.87808       28.03541  101.9769 13.40831 81.09429 17.51297 
20.88262       22.05645 
1 1 1 -10 39 4  o 49.77606 15.10911 27.84167       16.63411  29.28015       
23.54171  26.40748       23.50670  51.86953 18.12503 50.16399 18.05490 
1.705544       25.58312 
1 1 1 -10 39 5  o 53.64006 15.22297 32.74715       17.37611  63.94652       
24.68516  2.105821       24.46340  74.28650 16.74173 38.98791 16.84931 
35.29859       23.75257 
1 1 1 -10 39 6  o 113.8841 8.686629 136.2898       19.96539  106.5115       
27.97875  167.1860       28.49909  97.78291 14.51087 124.8302 11.35095 
-27.04727      18.42306 
1 1 1 -10 39 7  o 142.1023 7.744545 210.4975       22.29497  221.4244       
32.39648  200.6664       30.72923  143.8871 11.15925 136.9588 11.12969 
6.928329       15.76068 
1 1 1 -10 39 8  o 27.67801 10.02794 6.863260       7.267624  4.934828       
8.232060  13.67711       15.47401  26.77668 10.45433 38.91817 14.53955 
-12.14150      17.90786 
1 1 1 -10 39 9  o 38.43921 11.16697 16.11054       9.247328  24.53632       
11.54663  1.040689       15.44204  46.96196 12.03558 31.43322 13.48349 
15.52874       18.07373 
1 1 1 -10 39 10 o 115.8245 7.077886 139.5501       16.59075  97.42340       
31.08165  156.3353       19.61954  91.61266 17.31841 122.2703 7.933573 
-30.65768      19.04912 
1 1 1 -10 39 11 o 50.47241 12.51099 28.52338       12.77657  19.49622       
15.14879  50.76809       23.78021  42.91309 14.55690 65.58353 17.50428 
-22.67043      22.76627 
1 1 1 -10 39 12 o 68.84291 9.497170 50.78320       12.94151  44.53095       
17.10560  59.15237       19.79071  62.73502 13.78477 72.47419 13.93459 
-9.739174      19.60084 
1 1 1 -10 39 13 o 90.35872 7.851669 85.80442       14.28382  111.5824       
19.71904  57.34639       20.71878  102.3585 9.585115 70.73382 14.87576 
31.62465       17.69641 
1 1 1 -10 39 14 o 28.02439 12.49142 -3.630913      14.42024  18.48442       
23.16801  -17.61677      18.42411  45.01762 17.54875 27.03379 12.76893 
17.98383       21.70263 
1 1 1 -10 39 15 o 76.75361 10.19788 64.08714       15.52293  82.62238       
22.81712  48.11673       21.17970  85.31506 13.60903 63.30758 16.34072 
22.00748       21.26558 
1 1 1 -10 39 16 o 136.4059 6.615285 194.2822       18.34987  224.1579       
26.84954  168.0975       25.13637  144.5283 9.183164 124.4647 10.01606 
20.06355       13.58867 
1 1 1 -10 39 17 o 106.7108 8.280391 122.2733       17.82774  108.4545       
24.89299  136.8244       25.54408  96.89265 12.95843 110.2414 11.56684 
-13.34872      17.36988 
1 1 1 -10 39 18 o 85.86210 9.467802 81.85345       16.25625  93.42431       
23.88855  71.87366       22.18542  87.92087 13.81696 75.97183 14.89270 
11.94904       20.31504 
1 1 1 -10 39 19 o 61.97896 13.11579 47.63994       16.01505  32.04968       
24.27055  59.66306       21.31383  47.56184 18.11128 66.72778 15.92817 
-19.16594      24.11897 
1 1 1 -10 40 1  o 106.7694 13.92662 127.3276       29.51727  127.3276       
29.51727  0.000000       0.000000  106.7694 13.92662 ?        ?        
0.000000       13.92662 
1 1 1 -10 40 2  o 110.0747 9.418335 128.7159       20.87907  118.7141       
28.17657  140.8957       31.09336  103.2463 13.76309 112.5075 13.88507 
-9.261215      19.55039 
1 1 1 -10 40 3  f 97.74386 9.764976 101.9138       19.14964  104.5512       
27.77065  99.52290       26.44158  96.35545 14.63298 94.20392 14.24780 
2.151535       20.42362 
1 1 1 -10 40 4  f 88.67136 10.87281 84.90932       19.19466  72.78171       
28.60642  94.84112       25.88748  78.03751 18.33706 91.94071 14.31180 
-13.90320      23.26103 
1 1 1 -10 40 5  o 52.30761 15.16716 31.30336       17.07346  50.37480       
24.58800  13.54555       23.72610  65.01958 17.98876 43.21485 17.45891 
21.80473       25.06809 
1 1 1 -10 40 6  f 77.05530 12.03562 65.17416       18.24248  48.95520       
26.25196  80.31959       25.36827  63.85807 18.89109 83.89098 15.43936 
-20.03291      24.39768 
1 1 1 -10 40 7  f 101.0949 10.13140 109.2228       20.54783  101.5234       
28.84747  117.1523       29.27529  94.45695 15.56030 102.2855 14.47906 
-7.828514      21.25479 
1 1 1 -10 40 8  o 134.0475 3.740137 183.7564       10.19524  186.6789       
10.84301  161.4662       29.94554  135.0649 3.947808 121.7936 12.25735 
13.27131       12.87742 
1 1 1 -10 40 9  o 136.3154 4.735637 190.7053       13.12728  188.6516       
16.98766  193.7495       20.68245  135.1384 6.181634 136.2600 7.492968 
-1.121628      9.713761 
1 1 1 -10 40 10 o 34.10020 12.72393 10.29361       11.84355  19.31975       
13.93286  -13.21574      22.48587  42.31020 13.95404 32.02674 14.78381 
10.28347       20.32920 
1 1 1 -10 40 11 o 60.76900 11.40668 40.74681       13.57821  37.48493       
15.59138  50.98779       27.62620  57.43053 13.56630 64.67919 19.43550 
-7.248665      23.70197 
1 1 1 -10 40 12 o 23.47724 10.77241 -7.176785      11.69160  -27.49619      
14.95462  24.76817       18.75085  21.02101 10.30432 47.39074 16.19477 
-26.36973      19.19504 
1 1 1 -10 40 13 o 50.51640 12.69504 28.99068       13.02570  28.30778       
17.70562  29.79632       19.23101  49.59246 15.67966 50.76050 16.37231 
-1.168045      22.66946 
1 1 1 -10 40 14 o 94.82371 8.772125 95.90179       16.72338  122.6761       
26.77123  78.76785       21.41598  104.7322 12.83892 83.56850 13.02683 
21.16367       18.29033 
1 1 1 -10 40 15 o 53.78742 13.53105 33.87169       14.78690  10.31191       
20.54911  59.17160       21.29447  38.78986 16.02698 70.37090 15.31560 
-31.58103      22.16826 
1 1 1 -10 40 16 o 68.39510 11.97151 53.53104       16.04384  61.01889       
23.13010  46.58784       22.27301  69.78695 16.54957 60.28719 17.27797 
9.499760       23.92523 
1 1 1 -10 40 17 o 48.55631 14.53329 29.36875       15.46995  32.98435       
21.65082  25.59745       22.11209  50.13980 17.38969 45.75684 17.31981 
4.382969       24.54337 
1 1 1 -10 40 18 o 53.46947 14.08690 36.51882       15.53102  31.16262       
22.14174  41.70658       21.79082  47.56607 17.46201 54.26374 17.42015 
-6.697670      24.66543 
1 1 1 -10 40 19 o 47.70276 14.76958 30.89925       15.79756  19.00622       
22.95533  41.59943       21.77372  40.06824 16.77831 52.60035 17.44864 
-12.53211      24.20675 
1 1 1 -10 41 1  o 45.14652 18.18746 16.70420       25.66830  16.70420       
25.66830  0.000000       0.000000  45.14652 18.18746 ?        ?        
0.000000       18.18746 
1 1 1 -10 41 2  o 38.96247 16.85148 3.385377       24.50819  3.385377       
24.50819  0.000000       0.000000  38.96247 16.85148 ?        ?        
0.000000       16.85148 
1 1 1 -10 41 3  o 58.47725 15.99997 40.20979       19.57823  22.32735       
28.64718  55.88238       26.81878  49.05205 19.39474 67.55775 18.82144 
-18.50571      27.02596 
1 1 1 -10 41 4  o 36.07725 14.79068 7.526405       17.32849  2.505109       
24.37640  12.65609       24.63807  38.62502 16.75571 42.99233 17.63231 
-4.367317      24.32390 
1 1 1 -10 41 5  o 48.40555 15.95318 26.33125       18.21221  59.81304       
25.59830  -7.988266      25.91656  70.53528 17.83566 36.09830 16.36098 
34.43698       24.20315 
1 1 1 -10 41 6  o 183.2104 6.969241 348.7250       25.96493  305.3678       
36.61128  392.6008       36.82960  168.7123 10.72701 192.7204 9.397618 
-24.00813      14.26127 
1 1 1 -10 41 7  o 51.61297 15.68374 30.70786       17.91632  26.28530       
26.35174  34.50952       24.43201  50.32404 18.93973 54.55131 18.48679 
-4.227276      26.46649 
1 1 1 -10 41 8  o 29.14566 13.34580 -9.271962      17.81813  -16.33560      
26.35038  -3.321150      24.18582  34.02672 15.81024 36.39754 16.20387 
-2.370819      22.63911 
1 1 1 -10 41 9  o 26.19387 10.93241 2.247508       9.700489  -7.570721      
10.62796  51.24992       23.74335  21.97477 10.15077 65.37181 17.50954 
-43.39704      20.23913 
1 1 1 -10 41 10 o 162.8052 5.350508 273.0837       17.71392  258.4795       
21.10034  307.9477       32.60155  157.8656 6.572803 170.3037 9.450865 
-12.43816      11.51176 
1 1 1 -10 41 11 o 49.37418 11.98563 27.46753       11.91292  17.12960       
15.02645  44.95913       19.54584  40.72851 14.45893 61.85667 15.55448 
-21.12816      21.23682 
1 1 1 -10 41 12 o 56.37089 11.87600 35.72325       13.18401  16.62049       
16.95406  64.94648       20.96958  41.03423 15.24087 75.20441 14.23307 
-34.17019      20.85340 
1 1 1 -10 41 13 o 96.37644 8.453148 98.85164       16.39953  90.91675       
24.38602  105.4031       22.15854  89.16487 13.90259 97.85772 11.34561 
-8.692848      17.94450 
1 1 1 -10 41 14 o 126.1747 7.204478 167.6101       18.40862  192.5393       
29.78461  152.2011       23.41669  132.1716 11.18659 118.5046 9.805236 
13.66706       14.87556 
1 1 1 -10 41 15 o 36.46549 15.59191 6.372336       20.53001  0.000000       
0.000000  6.372336       20.53001  ?        ?        36.46549 15.59191 
0.000000       15.59191 
1 1 1 -10 41 16 o 98.94269 8.520201 106.3465       16.97574  101.3700       
24.63638  110.8453       23.42413  92.36479 13.51653 98.08717 11.99339 
-5.722382      18.07036 
1 1 1 -10 41 17 o 32.77491 14.32997 4.136599       18.12812  27.73355       
22.19123  -43.19919      31.43028  45.85109 17.35190 29.64815 14.61270 
16.20294       22.68522 
1 1 1 -10 41 18 o 45.10209 14.64220 27.22789       15.36338  64.53558       
22.98084  -2.920345      20.65845  67.54449 16.80063 30.97294 14.25145 
36.57155       22.03100 
1 1 1 -10 42 1  o 154.1288 11.86561 260.6788       36.90403  260.6788       
36.90403  0.000000       0.000000  154.1288 11.86561 ?        ?        
0.000000       11.86561 
1 1 1 -10 42 2  o 44.67374 18.02573 16.60061       25.25747  16.60061       
25.25747  0.000000       0.000000  44.67374 18.02573 ?        ?        
0.000000       18.02573 
1 1 1 -10 42 3  o 36.34918 16.51924 -7.928174      26.64561  -7.928174      
26.64561  0.000000       0.000000  36.34918 16.51924 ?        ?        
0.000000       16.51924 
1 1 1 -10 42 4  o 34.13657 14.45436 4.028004       17.34499  5.395392       
23.41779  2.366172       25.81627  38.92884 16.64900 39.24350 17.13099 
-0.3146591     23.88849 
1 1 1 -10 42 5  o 121.8013 8.709202 157.1639       21.42925  142.1677       
29.99947  172.7880       30.62118  112.8491 13.33007 125.4252 12.15833 
-12.57607      18.04206 
1 1 1 -10 42 6  o 45.18220 15.79636 22.15075       17.88220  1.585058       
25.84274  41.04432       24.76987  39.01886 17.08344 58.21747 18.56053 
-19.19861      25.22573 
1 1 1 -10 42 7  o 112.2974 9.707809 134.9848       21.95081  143.9659       
31.58722  126.5970       30.52622  113.0484 14.04278 105.5176 14.61921 
7.530815       20.27119 
1 1 1 -10 42 8  o 100.3807 16.00093 117.1087       31.56570  117.1087       
31.56570  0.000000       0.000000  100.3807 16.00093 ?        ?        
0.000000       16.00093 
1 1 1 -10 42 9  o 145.4076 3.987495 216.6990       11.79068  217.8221       
12.96271  211.3171       28.37576  145.6658 4.376095 140.3686 10.00643 
5.297211       10.92148 
1 1 1 -10 42 10 o 29.01628 12.22563 2.628943       12.31020  4.483052       
13.61116  -5.702922      28.85352  31.28489 12.99444 38.33786 17.32970 
-7.052973      21.66043 
1 1 1 -10 42 11 o 39.88846 13.00349 17.50937       12.11229  12.84263       
15.57722  24.64539       19.26242  37.75211 14.47765 46.85732 16.39393 
-9.105202      21.87152 
1 1 1 -10 42 12 o 102.0114 7.106174 109.4230       14.64925  98.68275       
19.31204  123.9780       22.48166  95.25167 10.12546 106.6055 10.50706 
-11.35379      14.59189 
1 1 1 -10 42 13 o 35.62830 14.06035 10.59482       15.02928  13.87002       
21.66928  7.558844       20.86288  40.90264 16.62785 37.51949 15.86775 
3.383152       22.98414 
1 1 1 -10 42 14 o 25.92993 11.80232 -5.448022      13.66826  3.121825       
19.08989  -14.46270      19.57907  34.08390 14.80685 28.28248 13.29844 
5.801422       19.90204 
1 1 1 -10 42 15 o 126.1569 6.910503 168.8654       17.66107  211.9244       
26.18876  132.9485       23.91842  139.0624 9.314755 108.4989 10.99239 
30.56353       14.40823 
1 1 1 -10 42 16 o 81.88116 9.695672 75.45284       15.83056  92.22684       
23.25708  60.97165       21.60921  86.86285 13.61383 68.18589 15.88031 
18.67696       20.91700 
1 1 1 -10 42 17 o 41.25679 15.93148 21.88947       18.95533  26.97360       
22.87159  10.73748       33.87382  44.19499 17.37557 40.25361 18.42076 
3.941380       25.32261 
1 1 1 -10 42 18 o 44.36580 16.05362 28.77325       18.61722  37.09027       
22.55909  11.01305       32.96564  48.28794 17.64112 38.63157 17.85639 
9.656372       25.10099 
1 1 1 -10 43 1  o 26.57356 12.67997 -20.53756      19.10048  -29.90296      
25.60287  -8.783108      28.68314  29.73641 14.31779 36.92225 16.91626 
-7.185841      22.16211 
1 1 1 -10 43 2  o 35.98719 16.35046 -6.704758      26.08227  -6.704758      
26.08227  0.000000       0.000000  35.98719 16.35046 ?        ?        
0.000000       16.35046 
1 1 1 -10 43 3  o 55.81226 19.15801 38.18874       26.24512  38.18874       
26.24512  0.000000       0.000000  55.81226 19.15801 ?        ?        
0.000000       19.15801 
1 1 1 -10 43 4  o 60.26657 19.01303 45.46196       26.04493  45.46196       
26.04493  0.000000       0.000000  60.26657 19.01303 ?        ?        
0.000000       19.01303 
1 1 1 -10 43 5  o 58.17125 20.58438 42.02353       30.43138  42.02353       
30.43138  0.000000       0.000000  58.17125 20.58438 ?        ?        
0.000000       20.58438 
1 1 1 -10 43 6  o 41.52151 17.87711 7.011088       27.33130  7.011088       
27.33130  0.000000       0.000000  41.52151 17.87711 ?        ?        
0.000000       17.87711 
1 1 1 -10 43 7  o 52.02523 19.64871 30.40487       28.41842  30.40487       
28.41842  0.000000       0.000000  52.02523 19.64871 ?        ?        
0.000000       19.64871 
1 1 1 -10 43 8  o 64.42689 19.87200 53.15747       28.62891  53.15747       
28.62891  0.000000       0.000000  64.42689 19.87200 ?        ?        
0.000000       19.87200 
1 1 1 -10 43 9  o 42.67674 9.541204 20.16438       8.072397  20.16438       
8.072397  0.000000       0.000000  42.67674 9.541204 ?        ?        
0.000000       9.541204 
1 1 1 -10 43 10 o 99.17758 6.476776 102.8951       12.99070  122.8665       
16.83389  73.49117       20.42602  107.7889 7.731319 80.41712 12.92867 
27.37179       15.06399 
1 1 1 -10 43 11 o 96.25481 7.057310 97.62554       13.71750  97.71593       
17.97812  97.49960       21.22187  95.02029 9.428634 93.66615 11.37508 
1.354141       14.77470 
1 1 1 -10 43 12 o 81.04109 8.870190 71.06792       14.37938  78.79623       
18.82241  60.23552       22.28411  83.86518 11.32653 70.01832 16.00032 
13.84686       19.60359 
1 1 1 -10 43 13 o 58.54158 13.32725 40.77047       15.50968  43.07080       
22.35712  38.63641       21.53402  57.50084 17.53046 54.71798 17.29106 
2.782864       24.62312 
1 1 1 -10 43 14 o 62.19128 12.67179 45.90930       15.48178  57.52737       
21.41379  33.18600       22.40921  67.14085 15.92484 50.25515 17.67678 
16.88570       23.79221 
1 1 1 -10 43 15 o 36.49540 14.19064 14.00101       15.12003  52.34962       
21.42321  -24.06063      21.34291  62.24405 16.61474 26.56499 12.85977 
35.67906       21.01008 
1 1 1 -10 43 16 o 33.57359 13.66209 10.67498       14.64724  4.869782       
21.76532  15.48022       19.80222  34.32291 15.31918 38.02276 15.72338 
-3.699852      21.95227 
1 1 1 -10 43 17 o 34.48874 14.85524 10.56299       18.88799  16.46393       
22.48588  -3.579229      34.81035  38.05271 16.29537 35.98729 17.15692 
2.065422       23.66219 
1 1 1 -10 44 1  o 68.53013 15.08468 56.62725       20.45213  54.56818       
27.64597  59.11646       30.39669  64.03690 19.48755 65.83607 20.50443 
-1.799171      28.28774 
1 1 1 -10 44 2  f 42.67980 16.09864 19.07892       19.06163  39.59785       
26.54392  -2.769613      27.39043  55.70897 19.25849 37.58033 16.94531 
18.12864       25.65215 
1 1 1 -10 44 3  o 45.86965 16.74773 23.54226       20.32776  26.56644       
26.80277  19.44735       31.18873  49.00407 18.93842 47.17577 19.63879 
1.828308       27.28270 
1 1 1 -10 44 4  o 102.3496 16.04679 124.9240       32.30038  124.9240       
32.30038  0.000000       0.000000  102.3496 16.04679 ?        ?        
0.000000       16.04679 
1 1 1 -10 44 5  o 78.32875 18.64703 77.77584       29.27408  77.77584       
29.27408  0.000000       0.000000  78.32875 18.64703 ?        ?        
0.000000       18.64703 
1 1 1 -10 44 6  o 117.2320 13.63171 156.8890       31.89061  156.8890       
31.89061  0.000000       0.000000  117.2320 13.63171 ?        ?        
0.000000       13.63171 
1 1 1 -10 44 7  o 89.17599 17.33876 97.56374       30.31022  97.56374       
30.31022  0.000000       0.000000  89.17599 17.33876 ?        ?        
0.000000       17.33876 
1 1 1 -10 44 8  f 64.38729 20.56772 55.42164       30.40557  55.42164       
30.40557  0.000000       0.000000  64.38729 20.56772 ?        ?        
0.000000       20.56772 
1 1 1 -10 44 9  o 35.30754 9.748628 13.89393       7.229694  13.61817       
7.514646  17.32458       26.50512  34.97697 10.03935 44.48133 18.27083 
-9.504353      20.84735 
1 1 1 -10 44 10 o 26.07913 10.38281 4.595471       8.262512  13.04929       
9.495457  -21.76419      16.76716  34.66571 11.52379 23.89528 11.52587 
10.77044       16.29857 
1 1 1 -10 44 11 o 84.18457 7.907036 75.95020       13.37761  81.41103       
17.83680  68.92912       20.22507  85.60490 10.46414 76.64032 13.46877 
8.964584       17.05597 
1 1 1 -10 44 12 o 109.5540 7.400265 127.9523       16.38979  106.8281       
23.65152  147.4677       22.73307  96.20468 12.37661 115.7318 9.750305 
-19.52717      15.75592 
1 1 1 -10 44 13 o 59.73973 12.20359 42.21511       14.32425  30.93817       
19.53686  55.32439       21.06438  48.82475 16.53146 65.50950 15.95936 
-16.68475      22.97804 
1 1 1 -10 44 14 o 37.91022 14.10166 16.48781       14.52498  5.694688       
20.15297  28.15513       20.95324  34.55450 15.10854 46.05800 16.97502 
-11.50351      22.72486 
1 1 1 -10 44 15 o 25.89493 11.88998 -4.550397      14.27705  1.692876       
20.69234  -10.22303      19.72404  32.60246 14.71200 28.24530 13.30152 
4.357157       19.83364 
1 1 1 -10 44 16 o 25.18860 11.71687 -5.965749      14.53765  -5.835262      
22.29993  -6.062193      19.17155  30.40222 14.26215 28.50934 13.32613 
1.892881       19.51908 
1 1 1 -10 44 17 o 36.20466 16.23318 13.29192       24.74019  1.495135       
36.82258  22.99924       33.40271  36.11459 17.33241 40.20741 18.35861 
-4.092823      25.24779 
1 1 1 -10 45 1  f 85.20685 12.69943 84.33078       21.33224  87.68330       
30.45039  81.09966       29.89397  81.10226 18.82564 77.58642 19.08002 
3.515846       26.80396 
1 1 1 -10 45 2  o 75.39926 14.58755 68.39810       21.55795  72.40896       
32.39875  65.21137       28.87902  71.57179 20.93379 69.11294 19.62907 
2.458855       28.69711 
1 1 1 -10 45 3  o 134.8587 8.725742 195.8144       23.80122  199.9455       
33.67557  191.6909       33.64446  132.3293 12.66917 129.2102 12.98010 
3.119156       18.13811 
1 1 1 -10 45 4  o 61.54423 16.33190 47.40823       20.77835  36.84398       
31.71801  55.35020       27.50113  53.76422 20.64921 64.22155 19.41254 
-10.45733      28.34143 
1 1 1 -10 45 5  o 49.99984 16.62024 30.71087       19.75160  28.60125       
27.92842  32.82187       27.93755  49.57231 19.28326 51.62107 19.48520 
-2.048763      27.41381 
1 1 1 -10 45 6  o 31.83557 14.39084 -4.432619      19.89840  -21.70435      
28.51281  11.96575       27.78257  33.08496 15.70296 42.46409 18.14694 
-9.379135      23.99780 
1 1 1 -10 45 7  o 20.64701 10.32870 -44.96442      18.16253  -33.54094      
27.09726  -54.28315      24.47399  29.69741 14.40331 24.45304 12.19499 
5.244371       18.87255 
1 1 1 -10 45 8  o 89.37344 12.48661 91.56094       22.07390  91.02743       
35.31503  91.90302       28.27887  80.69135 21.23398 85.83281 16.80303 
-5.141457      27.07810 
1 1 1 -10 45 9  f 33.03922 11.85292 11.22650       10.12324  8.138330       
10.84344  32.18491       28.24850  30.92724 12.01965 50.74421 19.48766 
-19.81696      22.89630 
1 1 1 -10 45 10 o 57.42193 16.70271 42.67572       20.67637  10.42802       
30.46960  70.19962       28.14960  42.20336 18.51192 71.85888 18.98090 
-29.65552      26.51350 
1 1 1 -10 45 11 o 70.35236 13.31832 59.27468       18.35600  0.000000       
0.000000  59.27468       18.35600  ?        ?        70.35236 13.31832 
0.000000       13.31832 
1 1 1 -10 45 12 o 35.00547 13.50401 12.38426       13.60837  8.648144       
22.58300  14.51441       17.05207  37.30397 16.15508 37.74474 14.95091 
-0.4407654     22.01173 
1 1 1 -10 45 13 o 24.52971 11.39830 -7.438240      13.69963  -15.93112      
19.85924  0.2727878      18.92305  27.17571 12.95679 31.53286 14.16364 
-4.357145      19.19602 
1 1 1 -10 45 14 o 69.64180 10.75191 57.27521       14.73642  82.34825       
21.34113  34.42447       20.37343  80.74416 13.47205 48.59671 16.86809 
32.14745       21.58769 
1 1 1 -10 45 15 o 65.52315 11.19804 52.40763       14.38470  59.61337       
21.74399  46.79985       19.18208  63.44988 16.64491 56.60506 15.97015 
6.844822       23.06726 
1 1 1 -10 45 16 o 63.67553 11.93033 51.82586       14.88050  58.95296       
23.08968  46.76287       19.46095  59.70929 17.72902 54.83492 16.27517 
4.874371       24.06656 
1 1 1 -10 46 1  o 32.04942 15.36896 -22.66860      28.82266  0.000000       
0.000000  -22.66860      28.82266  ?        ?        32.04942 15.36896 
0.000000       15.36896 
1 1 1 -10 46 2  f 33.50655 14.76086 2.421973       19.55991  6.302049       
28.19584  -1.177496      27.15715  39.40249 17.52136 36.61094 16.65318 
2.791550       24.17284 
1 1 1 -10 46 3  o 45.88653 17.03598 25.72286       21.17869  24.46384       
32.05595  26.69810       28.21311  47.20410 19.80009 47.39476 19.07667 
-0.1906548     27.49478 
1 1 1 -10 46 4  o 50.78464 16.56001 33.08790       19.64341  35.15601       
29.06833  31.34971       26.64903  51.55186 19.77538 49.58171 18.95471 
1.970142       27.39245 
1 1 1 -10 46 5  o 32.13230 14.53152 -3.252279      20.31580  -42.78448      
31.29164  25.55280       26.71083  30.42866 14.91377 46.88245 18.66725 
-16.45379      23.89324 
1 1 1 -10 46 6  o 105.4156 10.54968 124.2247       22.31134  141.6694       
33.20473  109.8654       30.12555  107.1802 15.70020 93.45719 16.45239 
13.72301       22.74154 
1 1 1 -10 46 7  o 45.58984 16.34754 25.37696       19.25413  27.60118       
29.81506  23.78579       25.21761  48.18309 19.53446 45.63780 18.14858 
2.545288       26.66395 
1 1 1 -10 46 8  f 56.36148 17.15508 42.14010       21.42262  79.35409       
31.76331  11.08698       29.01518  74.30647 20.39969 41.48208 18.13333 
32.82439       27.29405 
1 1 1 -10 46 9  o 85.66959 4.705407 76.33902       8.165980  77.46767       
8.468813  61.39878       30.81207  86.24286 4.848568 63.98350 20.73285 
22.25936       21.29225 
1 1 1 -10 46 10 o 52.36685 8.949833 30.68173       9.188298  32.57483       
9.753161  15.74396       27.39694  53.83721 9.241489 41.86735 17.95955 
11.96986       20.19778 
1 1 1 -10 46 11 f 22.67442 10.21413 -2.688380      9.923562  -5.148548      
13.80671  -0.5924187E-01 14.27297  25.58442 11.72713 28.16301 12.49748 
-2.578594      17.13805 
1 1 1 -10 46 12 o 32.56876 13.65968 8.085791       15.25375  -1.500138      
17.62912  36.64103       30.42681  29.78016 13.49593 48.87077 19.76160 
-19.09061      23.93034 
1 1 1 -10 46 13 o 45.55402 13.33163 27.13158       13.13674  25.23593       
19.73607  28.63957       17.60274  42.65144 16.31040 45.12084 15.67820 
-2.469402      22.62377 
1 1 1 -10 46 14 o 77.05613 9.277075 68.89799       14.24472  86.29078       
21.78489  55.90718       18.82733  80.89459 13.73408 63.41268 14.85982 
17.48191       20.23460 
1 1 1 -10 46 15 o 36.07737 13.51379 17.45422       13.38489  4.312299       
20.67490  26.93662       17.56196  31.64551 14.44700 41.88841 15.52089 
-10.24290      21.20410 
1 1 1 -10 47 1  o 35.77751 16.50035 -0.9337524     27.91740  0.000000       
0.000000  -0.9337524     27.91740  ?        ?        35.77751 16.50035 
0.000000       16.50035 
1 1 1 -10 47 2  o 42.14154 18.00125 18.29697       27.31673  0.000000       
0.000000  18.29697       27.31673  ?        ?        42.14154 18.00125 
0.000000       18.00125 
1 1 1 -10 47 3  o 83.10510 13.71647 84.65483       22.37165  72.15382       
33.18734  95.06680       30.28769  67.06190 21.49496 82.54088 18.50209 
-15.47898      28.36125 
1 1 1 -10 47 4  o 33.41578 14.76820 2.890469       19.73430  24.47233       
28.38537  -17.29969      27.45491  45.33369 18.79222 32.17647 15.31159 
13.15723       24.24030 
1 1 1 -10 47 5  o 29.03228 13.45645 -7.965349      18.91208  -21.21094      
27.77739  3.480206       25.82106  31.57956 15.12883 36.90376 16.56269 
-5.324198      22.43221 
1 1 1 -10 47 6  o 49.17333 16.81067 32.31864       20.20426  33.54641       
31.24115  31.43594       26.48948  49.41442 20.00928 48.32369 18.78484 
1.090725       27.44525 
1 1 1 -10 47 7  o 49.79645 17.10024 33.64742       20.91100  37.34577       
30.88650  30.51763       28.41331  50.84347 20.12727 47.82201 19.18099 
3.021465       27.80319 
1 1 1 -10 47 8  o 36.12881 15.29556 10.04095       19.41779  21.21808       
29.85184  1.843158       25.56552  44.00164 18.80748 35.97640 16.28277 
8.025246       24.87670 
1 1 1 -10 47 9  o 34.12246 10.07127 13.50106       7.468884  11.86535       
7.734722  36.07754       28.73554  32.25049 10.38123 49.51641 19.47338 
-17.26591      22.06768 
1 1 1 -10 47 10 o 21.68922 9.643107 -1.250140      8.537132  -2.822336      
8.991442  13.13892       27.20146  21.36992 9.665580 39.55156 17.41634 
-18.18163      19.91864 
1 1 1 -10 47 11 o 112.6478 7.125926 137.8640       16.23946  146.2311       
18.59833  111.0130       33.31720  115.0832 7.996791 84.74661 19.70575 
30.33659       21.26653 
1 1 1 -10 47 12 o 118.9393 7.647846 156.4050       18.39955  155.2114       
21.32442  159.8830       36.40026  116.6250 9.062718 103.9658 17.86078 
12.65913       20.02849 
1 1 1 -10 47 13 o 23.75399 10.84323 -2.510921      11.64308  -0.2759619     
18.68560  -3.929403      14.88621  29.58231 13.59021 25.86652 11.97127 
3.715790       18.11091 
1 1 1 -10 47 14 o 27.95860 12.08539 5.366266       12.59103  25.20920       
19.62337  -8.519778      16.41572  40.03424 15.98135 25.08595 11.90890 
14.94829       19.93051 
1 1 1 -10 47 15 o 47.26167 13.51909 32.59946       13.64842  45.21116       
21.67789  24.31712       17.56737  49.36418 17.38356 38.88110 15.24653 
10.48308       23.12239 
1 1 1 -10 48 1  o 37.95457 16.96005 12.33772       26.76197  0.000000       
0.000000  12.33772       26.76197  ?        ?        37.95457 16.96005 
0.000000       16.96005 
1 1 1 -10 48 2  o 36.43848 16.62627 5.249784       27.33691  0.000000       
0.000000  5.249784       27.33691  ?        ?        36.43848 16.62627 
0.000000       16.62627 
1 1 1 -10 48 3  f 35.85529 16.50113 1.598803       27.71354  0.000000       
0.000000  1.598803       27.71354  ?        ?        35.85529 16.50113 
0.000000       16.50113 
1 1 1 -10 48 4  o 61.24472 16.33294 52.10501       20.71494  88.46208       
31.46644  24.29692       27.51939  75.10278 20.17449 43.55710 18.31184 
31.54568       27.24579 
1 1 1 -10 48 5  o 37.71429 15.52380 14.84451       19.18409  25.54944       
29.19464  6.709591       25.45001  44.34335 18.76313 36.73359 16.46779 
7.609768       24.96483 
1 1 1 -10 48 6  o 36.62621 15.54298 11.92367       20.12721  44.93691       
29.74705  -15.95107      27.33413  52.55455 20.04164 31.62805 15.11309 
20.92650       25.10126 
1 1 1 -10 48 7  f 40.53165 16.12534 20.19003       19.91669  1.808656       
30.68056  33.57806       26.18380  37.15171 17.19136 47.48910 18.61603 
-10.33738      25.33968 
1 1 1 -10 48 8  o 41.63254 17.65579 21.05788       25.94358  0.000000       
0.000000  21.05788       25.94358  ?        ?        41.63254 17.65579 
0.000000       17.65579 
1 1 1 -10 48 9  o 31.72199 15.25680 -16.51640      28.87901  0.000000       
0.000000  -16.51640      28.87901  ?        ?        31.72199 15.25680 
0.000000       15.25680 
1 1 1 -10 48 10 o 32.11977 11.09659 12.17156       8.811818  13.55759       
9.296058  -0.1021502     27.66308  33.53239 11.40313 34.37613 16.04796 
-0.8437347     19.68676 
1 1 1 -10 48 11 o 27.71067 11.64063 5.653978       11.10635  7.001797       
12.05763  -1.890919      28.52810  29.12581 12.17505 33.60625 15.87813 
-4.480442      20.00867 
1 1 1 -10 48 12 o 35.47686 14.09934 16.42660       15.21153  22.82035       
17.69106  -1.707823      29.79391  39.32376 15.33325 33.29005 15.87147 
6.033703       22.06835 
1 1 1 -10 48 13 o 52.60842 11.56840 36.17948       12.03918  73.00494       
19.80160  14.58408       15.16375  71.80859 14.06359 33.71498 13.83072 
38.09361       19.72494 
1 1 1 -10 48 14 o 108.2389 6.687204 130.9370       14.64694  155.3199       
23.19013  114.7547       18.89214  111.2081 10.37430 96.60321 9.750376 
14.60486       14.23713 
1 1 1 -10 49 1  o 46.05304 16.86293 34.88904       20.62952  43.99478       
32.23507  28.57273       26.84741  46.53343 19.70433 41.67929 17.82594 
4.854134       26.57113 
1 1 1 -10 49 2  o 32.53768 15.39893 -4.000728      27.03590  0.000000       
0.000000  -4.000728      27.03590  ?        ?        32.53768 15.39893 
0.000000       15.39893 
1 1 1 -10 49 3  o 24.84835 12.44676 -50.01173      26.78162  0.000000       
0.000000  -50.01173      26.78162  ?        ?        24.84835 12.44676 
0.000000       12.44676 
1 1 1 -10 49 4  o 37.35094 16.70569 12.60690       26.02920  0.000000       
0.000000  12.60690       26.02920  ?        ?        37.35094 16.70569 
0.000000       16.70569 
1 1 1 -10 49 5  o 34.36654 15.77415 3.614298       25.09767  0.000000       
0.000000  3.614298       25.09767  ?        ?        34.36654 15.77415 
0.000000       15.77415 
1 1 1 -10 49 6  o 33.52065 15.67579 -1.521670      26.58051  0.000000       
0.000000  -1.521670      26.58051  ?        ?        33.52065 15.67579 
0.000000       15.67579 
1 1 1 -10 49 7  o 38.50296 16.96151 16.50521       25.82517  0.000000       
0.000000  16.50521       25.82517  ?        ?        38.50296 16.96151 
0.000000       16.96151 
1 1 1 -10 49 8  o 80.17922 18.63729 101.8404       29.81050  0.000000       
0.000000  101.8404       29.81050  ?        ?        80.17922 18.63729 
0.000000       18.63729 
1 1 1 -10 49 9  o 30.04091 14.42639 -11.51224      25.59751  0.000000       
0.000000  -11.51224      25.59751  ?        ?        30.04091 14.42639 
0.000000       14.42639 
1 1 1 -10 49 10 o 85.75594 5.498316 79.03172       9.537862  78.70467       
10.05997  81.93946       29.99615  85.29006 5.835303 65.27135 20.37551 
20.01871       21.19463 
1 1 1 -10 49 11 o 90.14870 5.960310 88.57072       10.86481  91.03382       
11.52837  69.00356       32.49310  91.08394 6.262117 54.13014 20.87097 
36.95380       21.79017 
1 1 1 -10 49 12 o 53.71616 13.99571 42.75211       15.44175  49.36137       
18.14697  25.40808       29.39698  55.60406 15.47915 37.94436 17.28543 
17.65971       23.20324 
1 1 1 -10 49 13 o 41.30598 12.46726 24.73097       11.34916  26.05076       
18.56925  23.94401       14.33895  38.44937 15.47640 38.68895 14.07510 
-0.2395859     20.91954 
1 1 1 -10 50 1  o 37.75568 15.43604 23.01349       18.80848  22.34437       
29.22140  23.48678       24.57610  37.18468 17.05037 37.54507 16.54253 
-0.3603859     23.75648 
1 1 1 -10 50 2  o 39.81291 16.05021 26.19565       20.00551  0.7972220      
30.23564  45.97288       26.68078  32.94967 15.78491 47.09375 18.68655 
-14.14408      24.46121 
1 1 1 -10 50 3  o 44.76334 17.13794 35.48796       21.80535  56.09025       
34.66123  21.99372       28.05177  48.27079 20.43578 38.29434 17.21895 
9.976452       26.72290 
1 1 1 -10 50 4  o 39.84246 17.26386 25.63108       25.81757  0.000000       
0.000000  25.63108       25.81757  ?        ?        39.84246 17.26386 
0.000000       17.26386 
1 1 1 -10 50 5  o 49.80804 19.27207 49.86446       27.78123  0.000000       
0.000000  49.86446       27.78123  ?        ?        49.80804 19.27207 
0.000000       19.27207 
1 1 1 -10 50 6  o 46.92904 19.25571 45.22046       29.40058  0.000000       
0.000000  45.22046       29.40058  ?        ?        46.92904 19.25571 
0.000000       19.25571 
1 1 1 -10 50 7  o 54.50600 20.28803 63.74701       30.07417  0.000000       
0.000000  63.74701       30.07417  ?        ?        54.50600 20.28803 
0.000000       20.28803 
1 1 1 -10 50 8  o 42.20469 18.57348 35.77528       30.89524  0.000000       
0.000000  35.77528       30.89524  ?        ?        42.20469 18.57348 
0.000000       18.57348 
1 1 1 -10 50 9  o 38.63228 16.20036 24.76645       21.45060  -1.335301      
32.74901  44.37906       28.38775  32.91441 15.93252 45.18013 18.76607 
-12.26571      24.61728 
1 1 1 -10 50 10 o 19.14182 8.698712 -1.742080      7.387211  -2.588092      
7.666873  9.223986       27.60295  19.01579 8.724592 33.36479 15.71945 
-14.34900      17.97831 
1 1 1 -10 50 11 o 18.37220 8.703274 -6.295155      8.677199  -11.67428      
9.059231  53.47802       30.19872  16.90709 8.229305 45.41533 19.14250 
-28.50824      20.83643 
1 1 1 -10 50 12 o 33.33117 13.74581 17.00916       15.07686  15.76990       
17.68086  20.31158       28.86267  32.71660 14.23144 34.52268 16.20487 
-1.806080      21.56691 
1 1 1 -10 51 1  o 54.08088 16.48831 54.23593       19.77774  59.36020       
32.65175  51.26635       24.85641  44.13314 19.26566 46.34843 18.14655 
-2.215286      26.46626 
1 1 1 -10 51 2  o 26.62323 12.58114 -2.089134      17.92578  23.02326       
26.92876  -22.07168      24.02137  35.68148 16.36359 25.31256 12.53089 
10.36892       20.61044 
1 1 1 -10 51 3  o 39.14904 15.84679 27.99461       19.58741  27.50124       
28.79074  28.41975       26.72593  37.38729 17.06054 37.87053 16.93367 
-0.4832420     24.03770 
1 1 1 -10 51 4  o 31.41213 14.13816 9.972757       18.96580  16.31555       
27.69557  4.371800       26.02563  34.71165 16.15519 31.53857 14.97872 
3.173088       22.03071 
1 1 1 -10 51 5  o 25.93441 12.52096 -10.34439      19.89543  2.981437       
33.17171  -17.83124      24.86395  32.84578 15.93163 26.83258 13.17996 
6.013199       20.67675 
1 1 1 -10 51 6  o 29.18149 13.60674 2.312835       19.79341  -5.268036      
31.21555  7.410446       25.59734  31.02949 15.14090 32.24086 15.17400 
-1.211370      21.43588 
1 1 1 -10 51 7  o 28.38242 13.49374 -2.181793      21.22781  -10.52776      
35.08175  2.639145       26.66298  30.98938 15.30469 31.21781 14.91966 
-0.2284279     21.37358 
1 1 1 -10 51 8  o 30.87727 14.40164 6.852298       22.19926  23.80172       
32.81413  -7.451407      30.14448  36.12522 17.05629 29.96325 14.67550 
6.161970       22.50083 
1 1 1 -10 51 9  o 41.10968 16.69550 35.21041       21.81902  68.03391       
35.78761  15.79127       27.52678  45.88018 20.09512 33.59802 15.78831 
12.28216       25.55551 
1 1 1 -10 51 10 o 51.13048 7.880109 31.20057       7.930164  30.23307       
8.252739  42.85600       28.64422  49.78594 8.453895 40.36861 17.81917 
9.417332       19.72286 
1 1 1 -10 51 11 o 18.03367 8.567664 -5.939887      8.528744  -5.145931      
8.938026  -14.01840      28.51078  18.79262 8.881664 27.27573 13.52904 
-8.483109      16.18391 
1 1 1 -10 52 1  o 44.14956 15.98801 41.82194       18.47065  52.64856       
28.85042  34.30198       24.04436  40.37155 17.84864 36.53277 16.21575 
3.838776       24.11482 
1 1 1 -10 52 2  o 20.77948 10.33465 -22.29044      17.08491  -9.965492      
26.55035  -31.00072      22.31998  26.87769 13.28160 22.32503 11.20803 
4.552654       17.37875 
1 1 1 -10 52 3  o 26.91370 12.73133 1.392775       18.44063  -31.02624      
27.41255  28.19038       24.92284  24.63230 12.37386 35.49028 16.06851 
-10.85798      20.28077 
1 1 1 -10 52 4  o 44.15325 16.35307 40.70081       19.49156  27.64134       
28.87553  51.63237       26.41851  35.12636 16.39742 43.87534 18.15378 
-8.748981      24.46293 
1 1 1 -10 52 5  o 41.28703 16.44526 37.10245       20.73730  25.30727       
30.59719  47.12383       28.20285  34.60961 16.38016 41.24605 17.95787 
-6.636436      24.30627 
1 1 1 -10 52 6  o 25.37852 12.39451 -10.48948      21.04998  10.80894       
34.34599  -23.30250      26.63962  32.05145 15.69116 25.51721 12.72528 
6.534243       20.20261 
1 1 1 -10 52 7  o 25.54961 12.37965 -6.887249      19.89314  -17.60334      
30.54917  1.002309       26.21244  27.35518 13.63952 29.12065 14.13336 
-1.765463      19.64149 
1 1 1 -10 52 8  o 31.74373 14.71774 15.58190       22.64910  -14.79502      
35.07727  37.30212       29.66102  28.46988 14.25844 36.96529 17.03387 
-8.495401      22.21387 
1 1 1 -10 52 9  o 31.85291 14.53023 17.27599       20.86188  -21.19566      
32.78648  43.44862       27.04258  26.98845 13.55406 39.09879 17.28344 
-12.11035      21.96428 
1 1 1 -10 53 3  o 36.10829 15.11059 30.40655       18.60218  40.15224       
29.01596  23.60576       24.23875  35.05958 16.38998 31.93503 14.94541 
3.124556       22.18100 
1 1 1 -10 53 4  o 23.86193 11.65009 -7.357368      18.55528  18.34353       
28.26491  -26.82204      24.59784  30.79822 14.88235 23.18638 11.65756 
7.611837       18.90457 
1 1 1 -10 53 5  o 19.44001 9.827418 -36.33316      18.86781  -34.16320      
29.75218  -37.79290      24.40232  24.16192 12.22919 21.94516 11.10355 
2.216766       16.51792 
1 1 1 -10 53 6  o 33.21488 14.79365 24.12867       20.18379  -2.229280      
32.72640  40.30907       25.64113  28.18070 14.06165 36.95166 16.55006 
-8.770956      21.71714 
1 1 1 -10 53 7  o 26.69531 12.82586 2.798146       20.28593  12.09403       
30.54322  -4.539131      27.13545  29.78109 14.62411 26.86141 13.30135 
2.919676       19.76842 
1 1 1 -9  0  1  o 127.3633 5.860918 166.0387       15.10642  166.0387       
15.10642  166.0387       15.10642  127.3633 5.860918 127.3633 5.860918 
0.000000       0.000000 
1 1 1 -9  0  2  o 42.94525 14.72158 24.38654       11.55316  24.38654       
11.55316  24.38654       11.55316  42.94525 14.72158 42.94525 14.72158 
0.000000       0.000000 
1 1 1 -9  0  3  o 88.48810 7.246129 81.25248       12.83779  81.25248       
12.83779  81.25248       12.83779  88.48810 7.246129 88.48810 7.246129 
0.000000       0.000000 
1 1 1 -9  0  4  o 283.0014 5.319079 815.4670       30.58653  815.4670       
30.58653  815.4670       30.58653  283.0014 5.319079 283.0014 5.319079 
0.000000       0.000000 
1 1 1 -9  0  5  o 315.3282 5.501393 1012.280       35.25240  1012.280       
35.25240  1012.280       35.25240  315.3282 5.501393 315.3282 5.501393 
0.000000       0.000000 
1 1 1 -9  0  6  o 39.91609 14.96753 21.86347       11.34331  21.86347       
11.34331  21.86347       11.34331  39.91609 14.96753 39.91609 14.96753 
0.000000       0.000000 
1 1 1 -9  0  7  o 195.7273 5.370439 390.5168       21.33892  390.5168       
21.33892  390.5168       21.33892  195.7273 5.370439 195.7273 5.370439 
0.000000       0.000000 
1 1 1 -9  0  8  o 144.6038 6.126384 213.8329       17.94151  213.8329       
17.94151  213.8329       17.94151  144.6038 6.126384 144.6038 6.126384 
0.000000       0.000000 
1 1 1 -9  0  9  o 382.6315 6.133203 1490.317       47.69445  1490.317       
47.69445  1490.317       47.69445  382.6315 6.133203 382.6315 6.133203 
0.000000       0.000000 
1 1 1 -9  0  10 o 462.9561 6.808575 2181.641       64.06719  2181.641       
64.06719  2181.641       64.06719  462.9561 6.808575 462.9561 6.808575 
0.000000       0.000000 
1 1 1 -9  0  11 o 648.0078 8.500701 4275.080       111.9742  4275.080       
111.9742  4275.080       111.9742  648.0078 8.500701 648.0078 8.500701 
0.000000       0.000000 
1 1 1 -9  0  12 o 300.0562 6.128489 917.0159       37.35928  917.0159       
37.35928  917.0159       37.35928  300.0562 6.128489 300.0562 6.128489 
0.000000       0.000000 
1 1 1 -9  0  13 o 430.6927 9.780467 1891.839       85.56035  1891.839       
85.56035  1891.839       85.56035  430.6927 9.780467 430.6927 9.780467 
0.000000       0.000000 
1 1 1 -9  0  14 o 226.0068 6.674397 521.1887       30.61449  521.1887       
30.61449  521.1887       30.61449  226.0068 6.674397 226.0068 6.674397 
0.000000       0.000000 
1 1 1 -9  0  15 f 298.9546 6.501897 911.0920       39.48506  911.0920       
39.48506  911.0920       39.48506  298.9546 6.501897 298.9546 6.501897 
0.000000       0.000000 
1 1 1 -9  0  16 o 21.27000 14.59855 -13.87618      20.38256  -13.87618      
20.38256  -13.87618      20.38256  21.27000 14.59855 21.27000 14.59855 
0.000000       0.000000 
1 1 1 -9  0  17 o 70.42658 17.06850 59.03695       21.18674  59.03695       
21.18674  59.03695       21.18674  70.42658 17.06850 70.42658 17.06850 
0.000000       0.000000 
1 1 1 -9  0  18 o 97.49366 11.06892 101.0258       21.21471  101.0258       
21.21471  101.0258       21.21471  97.49366 11.06892 97.49366 11.06892 
0.000000       0.000000 
1 1 1 -9  0  19 o 99.93877 11.50570 106.4946       22.57806  106.4946       
22.57806  106.4946       22.57806  99.93877 11.50570 99.93877 11.50570 
0.000000       0.000000 
1 1 1 -9  0  20 f 138.2262 9.722763 198.8287       27.01890  198.8287       
27.01890  198.8287       27.01890  138.2262 9.722763 138.2262 9.722763 
0.000000       0.000000 
1 1 1 -9  0  21 o 212.0989 10.81110 467.0385       46.35292  467.0385       
46.35292  467.0385       46.35292  212.0989 10.81110 212.0989 10.81110 
0.000000       0.000000 
1 1 1 -9  0  22 o 37.90213 21.14839 21.66412       24.29177  21.66412       
24.29177  21.66412       24.29177  37.90213 21.14839 37.90213 21.14839 
0.000000       0.000000 
1 1 1 -9  0  23 o 266.7499 7.694913 732.3801       41.66209  732.3801       
41.66209  732.3801       41.66209  266.7499 7.694913 266.7499 7.694913 
0.000000       0.000000 
1 1 1 -9  0  24 o 48.91619 23.79183 40.13965       27.78510  40.13965       
27.78510  40.13965       27.78510  48.91619 23.79183 48.91619 23.79183 
0.000000       0.000000 
1 1 1 -9  0  25 o 24.06367 16.51180 -12.36937      26.03917  -12.36937      
26.03917  -12.36937      26.03917  24.06367 16.51180 24.06367 16.51180 
0.000000       0.000000 
1 1 1 -9  0  26 f 74.28675 20.83013 77.55868       27.23434  77.55868       
27.23434  77.55868       27.23434  74.28675 20.83013 74.28675 20.83013 
0.000000       0.000000 
1 1 1 -9  1  1  o 339.5222 3.990015 1172.476       27.54826  1171.251       
39.01498  1173.694       38.90351  339.2872 5.654737 339.6417 5.632697 
-0.3544922     7.981436 
1 1 1 -9  1  2  o 458.8415 4.622991 2141.691       43.13573  2193.400       
62.10802  2093.504       59.95520  464.2327 6.579009 453.5433 6.500648 
10.68942       9.248879 
1 1 1 -9  1  3  o 685.6359 6.140101 4784.057       85.60921  4743.897       
120.2730  4825.298       121.8825  682.4499 8.666543 688.2743 8.708198 
-5.824402      12.28583 
1 1 1 -9  1  4  o 177.4271 3.707978 320.1884       13.37853  320.8615       
19.06916  319.5359       18.77448  177.5832 5.280540 177.2175 5.209665 
0.3656616      7.417864 
1 1 1 -9  1  5  o 413.6365 4.366652 1740.429       36.72982  1700.125       
51.19843  1783.170       52.72273  408.7271 6.159874 418.5884 6.193830 
-9.861328      8.735421 
1 1 1 -9  1  6  o 501.0232 4.900840 2553.727       49.93209  2450.347       
68.46041  2671.227       72.98594  490.6485 6.861476 512.2738 7.006250 
-21.62531      9.806498 
1 1 1 -9  1  7  o 139.3564 4.196688 197.5318       11.89282  223.4976       
17.21156  173.8069       16.45212  148.2094 5.710748 130.6913 6.190472 
17.51810       8.422267 
1 1 1 -9  1  8  o 628.5596 5.782232 4019.741       73.90833  3996.976       
104.0178  4042.954       105.0339  626.5739 8.163643 630.1641 8.196425 
-3.590210      11.56834 
1 1 1 -9  1  9  o 33.38301 11.52108 10.24152       9.497703  13.23603       
13.31105  7.135859       13.55585  38.60961 13.61911 34.33554 13.41270 
4.274063       19.11493 
1 1 1 -9  1  10 o 535.2261 5.223244 2914.133       56.84980  2897.971       
80.09533  2930.542       80.70364  533.6091 7.381294 536.5984 7.395922 
-2.989258      10.44907 
1 1 1 -9  1  11 o 448.8078 4.771235 2048.938       43.54543  1967.856       
59.90710  2139.771       63.40688  439.7460 6.699231 458.5465 6.799885 
-18.80048      9.545582 
1 1 1 -9  1  12 f 68.52839 9.513463 48.75474       12.89985  47.92672       
18.07639  49.61403       18.41459  67.31382 13.67210 68.51230 13.69606 
-1.198479      19.35221 
1 1 1 -9  1  13 o 400.9917 6.760328 1636.831       55.12577  1738.098       
81.71420  1552.251       74.67915  412.9492 9.730820 390.2786 9.409643 
22.67059       13.53626 
1 1 1 -9  1  14 o 100.0621 7.608191 102.5795       15.36515  86.76527       
21.40473  119.3916       22.06972  91.42650 11.78748 107.7047 10.19798 
-16.27820      15.58664 
1 1 1 -9  1  15 o 82.70985 10.22962 70.91056       16.83869  95.67274       
21.61299  32.66498       26.86031  96.10038 11.27376 57.90825 19.38491 
38.19213       22.42482 
1 1 1 -9  1  16 o 240.1229 4.763014 586.9724       23.25770  559.4655       
32.42287  616.1287       33.38076  234.2805 6.805561 245.8699 6.676354 
-11.58945      9.533591 
1 1 1 -9  1  17 o 292.0985 4.690138 868.7913       27.85905  920.8528       
40.20938  820.7268       38.63506  300.5105 6.579856 283.6883 6.697131 
16.82220       9.388614 
1 1 1 -9  1  18 o 54.06131 13.42666 31.31581       14.69377  18.18824       
20.40833  45.44558       21.17302  46.06277 16.78657 64.93305 16.11164 
-18.87028      23.26744 
1 1 1 -9  1  19 o 292.1248 4.747153 869.4507       28.20026  881.3004       
40.14234  857.9044       39.62508  293.8084 6.718726 289.8818 6.721989 
3.926666       9.504021 
1 1 1 -9  1  20 o 74.64741 12.84540 59.17320       18.79581  104.2102       
33.68450  38.81034       22.64981  98.35328 17.48241 60.16954 17.47581 
38.18374       24.71920 
1 1 1 -9  1  21 f 211.3067 7.634043 457.1097       32.80342  463.2481       
46.65065  451.1061       46.13574  211.7130 10.87242 208.9043 10.89799 
2.808701       15.39402 
1 1 1 -9  1  22 o 143.8208 6.807994 211.5645       19.91097  219.5280       
28.60111  204.0757       27.73557  145.7476 9.705558 140.4867 9.769233 
5.260910       13.77083 
1 1 1 -9  1  23 o 132.6294 7.633306 180.9551       20.50062  196.7291       
29.12180  165.4588       28.86442  137.6203 10.48490 125.8935 11.39839 
11.72679       15.48729 
1 1 1 -9  1  24 o 39.82099 15.68897 10.45521       18.68375  60.55677       
26.75743  -37.21625      26.10045  73.60164 18.02175 30.00640 14.44993 
43.59524       23.09944 
1 1 1 -9  1  25 o 86.48999 11.66716 79.95770       19.99660  58.03916       
27.22066  105.6523       29.47228  71.15991 18.60229 98.10168 15.27035 
-26.94176      24.06717 
1 1 1 -9  1  26 o 123.8801 8.730344 161.0517       21.85229  101.4750       
28.91878  240.3474       33.36312  94.94429 15.51413 150.1507 11.00330 
-55.20636      19.02001 
1 1 1 -9  2  1  o 443.1989 4.539181 1998.054       40.90982  2020.668       
58.40559  1976.274       57.32014  445.6016 6.445495 440.6824 6.396318 
4.919189       9.080600 
1 1 1 -9  2  2  o 450.0031 4.576128 2059.951       41.87599  2088.006       
59.85268  2033.049       58.61005  452.9489 6.498050 446.9515 6.448524 
5.997375       9.154677 
1 1 1 -9  2  3  o 335.8395 3.958446 1147.216       27.03385  1216.923       
39.68541  1086.864       36.92676  345.8261 5.643150 326.8276 5.556112 
18.99847       7.919314 
1 1 1 -9  2  4  o 576.5714 5.380786 3382.434       63.08850  3286.751       
87.24782  3487.288       91.33358  568.1665 7.551401 585.2297 7.674546 
-17.06323      10.76672 
1 1 1 -9  2  5  o 713.3755 6.346857 5179.314       92.07217  5228.125       
131.3077  5132.103       129.1388  716.3820 9.013513 709.7828 8.947052 
6.599182       12.70012 
1 1 1 -9  2  6  o 363.4106 4.127401 1343.334       30.50182  1371.586       
43.69810  1316.491       42.59523  367.1407 5.853001 359.6927 5.823417 
7.447937       8.256500 
1 1 1 -9  2  7  o 237.7934 3.785669 575.1118       18.30602  582.2929       
25.89542  567.9383       25.88182  239.2381 5.322814 236.2692 5.386868 
2.968933       7.573024 
1 1 1 -9  2  8  o 832.6061 7.246565 7055.781       122.6940  7157.627       
175.7637  6958.984       171.3514  838.1545 10.31225 826.4614 10.19562 
11.69312       14.50149 
1 1 1 -9  2  9  o 614.3114 5.720787 3839.362       71.46539  3985.151       
104.1586  3709.682       98.23588  625.6694 8.186510 603.6744 8.002320 
21.99500       11.44797 
1 1 1 -9  2  10 f 315.2156 4.146581 1010.583       26.57965  1007.763       
37.37521  1013.468       37.80711  314.7275 5.839794 315.6154 5.890660 
-0.8878479     8.294762 
1 1 1 -9  2  11 o 603.5637 5.709240 3706.265       70.07334  3807.543       
101.1727  3612.886       97.14719  611.5596 8.135289 595.7325 8.019135 
15.82715       11.42320 
1 1 1 -9  2  12 o 340.2015 4.411179 1177.274       30.51703  1189.091       
43.24384  1165.550       43.07188  341.8333 6.220975 338.4311 6.258527 
3.402252       8.824381 
1 1 1 -9  2  13 o 339.9079 5.212277 1175.575       36.02800  1119.286       
60.76713  1206.086       44.73937  331.4377 9.016032 344.2296 6.391316 
-12.79193      11.05159 
1 1 1 -9  2  14 o 316.7772 4.527612 1020.982       29.16584  991.3227       
40.81049  1051.944       41.69728  312.0367 6.431536 321.4395 6.379066 
-9.402802      9.058539 
1 1 1 -9  2  15 o 320.8176 5.287386 1047.728       34.49456  1064.337       
43.07925  1018.051       57.58360  323.2486 6.553601 315.8938 8.964092 
7.354858       11.10426 
1 1 1 -9  2  16 o 545.1014 5.529626 3026.174       61.29492  3110.024       
88.55334  2949.048       84.92846  552.1302 7.887003 537.6782 7.767467 
14.45197       11.06971 
1 1 1 -9  2  17 o 235.2211 4.810024 563.4383       23.00780  554.4923       
32.45292  572.4787       32.62362  233.1616 6.844558 236.9209 6.771383 
-3.759293      9.628063 
1 1 1 -9  2  18 o 140.0632 6.039334 200.0459       17.20143  232.1322       
24.70138  169.8361       23.96819  150.4895 8.101511 128.4813 9.235302 
22.00819       12.28517 
1 1 1 -9  2  19 o 223.7573 4.956604 510.2072       22.55345  528.6631       
32.33317  492.7180       31.47492  227.5177 6.988464 219.6386 7.047005 
7.879089       9.924662 
1 1 1 -9  2  20 o 119.3984 8.500944 146.7611       20.50556  115.1143       
35.24479  162.9549       25.21188  103.5186 17.35710 125.5692 9.955080 
-22.05060      20.00931 
1 1 1 -9  2  21 o 115.4081 9.190984 137.6155       21.39119  114.9307       
35.49304  150.5555       26.80675  103.1747 17.54496 120.3274 11.07987 
-17.15279      20.75064 
1 1 1 -9  2  22 f 180.8654 5.878183 334.0887       21.61971  340.2753       
31.11539  328.3141       30.06162  182.1117 8.402062 178.9088 8.262837 
3.202881       11.78428 
1 1 1 -9  2  23 o 115.9110 8.324665 138.6800       19.49130  136.9756       
28.38954  140.1998       26.80810  114.1557 12.43045 115.7620 11.54191 
-1.606331      16.96266 
1 1 1 -9  2  24 o 109.2918 9.324661 124.2708       20.52566  134.6537       
29.62111  114.6802       28.46850  112.5748 13.18921 103.5424 13.86904 
9.032372       19.13911 
1 1 1 -9  2  25 o 100.5292 11.87543 107.7804       23.80804  83.50889       
28.56590  162.9906       43.08324  86.28785 16.88433 120.6196 18.12511 
-34.33176      24.77096 
1 1 1 -9  2  26 o 60.14620 14.97440 41.21013       18.24416  24.75882       
26.10364  56.92036       25.50892  50.20700 18.85922 69.59325 17.91778 
-19.38624      26.01379 
1 1 1 -9  3  1  o 724.5776 6.426959 5342.767       94.69823  5340.919       
133.8510  5344.619       133.9962  724.1397 9.089663 724.3896 9.096383 
-0.2498779     12.85948 
1 1 1 -9  3  2  f 240.0199 3.675108 585.9313       17.93778  554.8118       
24.78658  620.1513       25.99204  233.5233 5.219572 246.8928 5.177028 
-13.36946      7.351568 
1 1 1 -9  3  3  o 574.0490 5.372613 3352.830       62.71711  3232.345       
86.12301  3488.867       91.51293  563.4590 7.516322 585.3728 7.687737 
-21.91376      10.75158 
1 1 1 -9  3  4  o 75.07100 6.505278 57.78921       9.832747  52.37276       
11.84327  69.80567       17.64017  71.22742 8.334167 82.03693 10.83952 
-10.80951      13.67310 
1 1 1 -9  3  5  o 430.5735 4.467257 1885.902       39.11467  1914.548       
55.91065  1858.443       54.74089  433.7284 6.339065 427.3285 6.299391 
6.399933       8.936782 
1 1 1 -9  3  6  o 487.7629 4.820449 2420.277       47.81319  2410.944       
67.50375  2429.673       67.73294  486.6947 6.820557 488.5816 6.817283 
-1.886902      9.643410 
1 1 1 -9  3  7  f 536.2408 5.153844 2925.387       56.20082  3069.570       
82.56993  2800.934       76.71280  549.1348 7.394205 524.5720 7.191365 
24.56281       10.31455 
1 1 1 -9  3  8  o 646.1560 5.911120 4248.065       77.67095  4351.479       
112.0767  4152.502       107.7383  653.7443 8.430552 638.6368 8.295926 
15.10754       11.82779 
1 1 1 -9  3  9  o 176.8833 4.112564 318.2217       14.79282  334.4185       
21.23949  302.9636       20.61490  181.3019 5.760899 172.5628 5.874659 
8.739120       8.227975 
1 1 1 -9  3  10 o 967.1590 8.288661 9522.672       163.0173  9385.240       
227.2615  9668.333       233.9673  959.5721 11.64654 973.9021 11.81377 
-14.32996      16.58936 
1 1 1 -9  3  11 o 522.8030 5.202927 2780.502       55.31428  2787.532       
78.33257  2773.510       78.12027  523.3275 7.360670 522.0098 7.359252 
1.317749       10.40856 
1 1 1 -9  3  12 o 270.2813 4.966890 743.1717       27.29933  741.3134       
33.28328  746.9918       47.72107  269.9073 6.064012 270.8250 8.665030 
-0.9177246     10.57615 
1 1 1 -9  3  13 o 202.9831 5.468625 419.2596       22.57301  453.5463       
40.54018  403.8531       27.17535  210.9552 9.450267 199.1791 6.709343 
11.77606       11.58977 
1 1 1 -9  3  14 f 179.8134 5.717046 329.1032       20.90476  308.3009       
35.41056  340.2315       25.89964  173.5517 10.07689 182.7806 6.968066 
-9.228928      12.25143 
1 1 1 -9  3  15 o 207.1222 5.555348 436.7637       23.39857  459.9233       
29.31658  396.1196       38.83712  212.4739 6.785101 196.9848 9.695334 
15.48911       11.83373 
1 1 1 -9  3  16 o 336.4660 4.638271 1152.431       31.73575  1206.520       
46.10928  1103.744       43.74616  344.0654 6.590159 329.0911 6.536908 
14.97430       9.282314 
1 1 1 -9  3  17 o 143.0658 5.838521 208.5900       16.98597  200.6382       
24.14383  216.3829       23.90158  139.8739 8.528999 145.3340 8.119852 
-5.460098      11.77607 
1 1 1 -9  3  18 o 290.3003 4.694881 858.3900       27.71555  845.9807       
38.88773  871.2002       39.51112  287.9397 6.641398 292.1988 6.649508 
-4.259125      9.398091 
1 1 1 -9  3  19 o 87.29454 8.843171 78.81860       15.48146  47.02863       
20.96628  116.9323       22.95710  65.97014 15.83064 106.1457 10.78545 
-40.17553      19.15555 
1 1 1 -9  3  20 o 69.68026 13.48491 51.93549       18.41702  91.46451       
33.45780  34.75135       22.05988  91.68217 18.58204 57.30499 17.40082 
34.37717       25.45743 
1 1 1 -9  3  21 o 127.8081 8.298739 168.1356       21.45185  126.7193       
36.36851  190.2334       26.56527  108.6133 17.02571 135.6930 9.691068 
-27.07973      19.59060 
1 1 1 -9  3  22 o 133.9420 7.253120 184.1817       19.68210  169.9037       
28.29572  197.5656       27.39550  127.8217 10.99286 138.2003 9.811845 
-10.37856      14.73483 
1 1 1 -9  3  23 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -9  3  24 o 40.90176 15.43725 13.58004       17.53422  15.78913       
25.27033  11.52899       24.34957  46.72050 18.29569 44.11943 17.73506 
2.601074       25.48067 
1 1 1 -9  3  25 o 143.4438 8.785944 214.1634       25.50490  257.9953       
31.78321  134.8894       42.74327  156.9639 10.00959 108.3332 20.14379 
48.63070       22.49365 
1 1 1 -9  3  26 o 48.30544 16.15534 25.37463       18.65570  30.18795       
26.16271  20.39561       26.60923  53.10494 19.05456 48.18830 18.80077 
4.916637       26.76836 
1 1 1 -9  4  1  o 544.4337 5.177492 3015.458       57.32127  3013.578       
81.01776  3017.343       81.11137  544.1124 7.322176 544.4518 7.326066 
-0.3394165     10.35787 
1 1 1 -9  4  2  o 507.7126 4.937937 2622.348       50.98178  2760.522       
74.84359  2502.732       69.63600  520.7706 7.067352 495.8711 6.905794 
24.89957       9.881166 
1 1 1 -9  4  3  o 487.3826 5.552226 2416.958       55.02861  2475.916       
68.57182  2310.304       92.22816  493.2011 6.837072 476.1803 9.524468 
17.02078       11.72438 
1 1 1 -9  4  4  o 441.4634 5.225760 1982.844       46.91326  1932.875       
56.34816  2095.723       84.69104  435.7984 6.358324 453.5527 9.182444 
-17.75430      11.16895 
1 1 1 -9  4  5  o 209.7949 4.235036 447.7043       18.06772  477.2510       
22.55415  394.7798       30.18558  216.5864 5.120872 196.9164 7.538175 
19.67001       9.113035 
1 1 1 -9  4  6  o 347.8948 4.052492 1231.050       28.66960  1245.243       
40.86372  1217.291       40.23349  349.8304 5.744193 345.8829 5.720147 
3.947479       8.106530 
1 1 1 -9  4  7  o 183.8445 3.849627 343.7607       14.39198  350.9651       
20.65693  336.9649       20.06276  185.7319 5.469251 181.9907 5.421134 
3.741196       7.700740 
1 1 1 -9  4  8  o 139.2766 4.320831 197.3035       12.23762  189.0156       
17.28806  205.6270       17.32521  136.2933 6.237638 142.1603 5.993062 
-5.866989      8.650140 
1 1 1 -9  4  9  o 660.1938 6.029865 4434.592       80.95253  4577.931       
117.6452  4305.687       111.5650  670.5447 8.627700 650.3204 8.436244 
20.22430       12.06679 
1 1 1 -9  4  10 o 604.7764 5.680158 3721.066       69.85647  3735.682       
99.05524  3706.604       98.53078  605.7836 8.040972 603.4222 8.029697 
2.361328       11.36368 
1 1 1 -9  4  11 o 510.9143 5.137521 2655.465       53.37687  2649.162       
75.47855  2661.770       75.49403  510.1761 7.275319 511.3898 7.259541 
-1.213654      10.27770 
1 1 1 -9  4  12 o 266.4318 4.982030 722.1620       26.99254  687.4924       
32.39257  800.9326       48.82614  259.9206 6.128487 280.4343 8.561893 
-20.51370      10.52921 
1 1 1 -9  4  13 o 419.1401 4.800259 1787.344       40.91431  1774.428       
57.99184  1800.144       57.73219  417.4908 6.830753 420.5112 6.751325 
-3.020416      9.604143 
1 1 1 -9  4  14 o 112.0369 7.773973 128.4979       17.60191  101.8092       
30.87844  141.3447       21.42348  98.41574 15.97696 117.3975 9.043505 
-18.98175      18.35888 
1 1 1 -9  4  15 o 236.0043 5.395425 567.0355       25.89387  553.8072       
32.09555  591.6981       43.82407  233.1507 6.769504 240.8159 8.949036 
-7.665207      11.22103 
1 1 1 -9  4  16 o 106.6529 7.081631 116.4852       15.27148  123.1456       
22.37404  110.6758       20.89591  109.2710 10.18646 103.5620 10.04871 
5.708939       14.30875 
1 1 1 -9  4  17 o 251.8401 4.775822 645.8774       24.45820  632.8471       
35.38380  657.7995       33.84568  249.0652 6.986182 253.9788 6.553214 
-4.913574      9.578692 
1 1 1 -9  4  18 o 292.3568 4.729813 870.6359       28.11957  926.7109       
40.87858  820.2705       38.74157  301.3546 6.670624 283.5128 6.719748 
17.84177       9.468487 
1 1 1 -9  4  19 o 132.9373 6.453490 180.3798       17.44589  158.6485       
23.77398  205.7364       25.68060  124.0412 9.497223 141.4422 8.974908 
-17.40100      13.06699 
1 1 1 -9  4  20 o 90.99588 10.55706 86.28362       19.17215  39.24141       
32.93314  110.3992       23.57970  62.69842 21.46235 102.8775 11.46617 
-40.17912      24.33322 
1 1 1 -9  4  21 o 213.9509 6.218570 467.5854       27.05553  448.6989       
46.31237  477.3707       33.33554  208.2947 10.97241 215.9335 7.591646 
-7.638885      13.34267 
1 1 1 -9  4  22 o 169.2586 6.220263 292.7592       21.40972  291.7137       
30.51890  293.7722       30.04254  168.2738 8.950877 168.9105 8.776625 
-0.6367340     12.53584 
1 1 1 -9  4  23 o 153.0737 6.772308 239.8744       21.08088  249.2782       
30.81675  231.6034       28.90112  155.1698 9.816856 149.6193 9.548763 
5.550522       13.69487 
1 1 1 -9  4  24 o 167.9675 6.848201 289.4315       23.39123  260.7399       
32.94246  318.6081       33.21968  158.2290 10.29409 175.3223 9.351438 
-17.09326      13.90747 
1 1 1 -9  4  25 o 49.87508 17.53604 25.25075       22.05273  20.59348       
25.74344  38.09041       42.74425  48.76196 18.63259 62.50494 23.97947 
-13.74298      30.36756 
1 1 1 -9  4  26 o 64.61969 14.87049 47.51238       19.13505  59.41235       
26.95254  35.41883       27.17088  70.76215 18.51632 56.17974 19.48100 
14.58241       26.87682 
1 1 1 -9  5  1  o 389.3037 4.249919 1541.561       33.64501  1604.880       
48.77043  1484.062       46.47498  397.1431 6.038904 381.9045 5.984296 
15.23865       8.501775 
1 1 1 -9  5  2  o 531.6870 5.876955 2876.470       63.54185  2826.802       
76.66506  2985.460       113.5671  526.9814 7.154031 541.2432 10.31831 
-14.26184      12.55578 
1 1 1 -9  5  3  o 244.7031 4.221849 609.0818       21.00843  613.1165       
25.77744  601.1009       36.25449  245.4876 5.163673 242.9955 7.336891 
2.492081       8.971817 
1 1 1 -9  5  4  o 294.9253 4.399370 884.7872       26.38481  943.1767       
33.29304  786.1903       43.26308  304.4678 5.377254 277.8821 7.656063 
26.58575       9.355755 
1 1 1 -9  5  5  o 298.3408 4.424075 905.3984       26.84025  877.9467       
32.25231  967.2354       48.40604  293.7512 5.399204 308.2205 7.723010 
-14.46927      9.423179 
1 1 1 -9  5  6  o 447.2576 5.292772 2035.177       48.13847  1984.522       
57.86114  2149.073       86.76296  441.5915 6.443397 459.3107 9.289159 
-17.71918      11.30512 
1 1 1 -9  5  7  o 253.8466 3.796600 655.3790       19.59826  666.3053       
27.96365  644.8312       27.47507  255.9159 5.373350 251.7585 5.366650 
4.157471       7.594328 
1 1 1 -9  5  8  o 617.3179 5.713988 3877.144       71.72980  3916.640       
102.2276  3838.840       100.6728  620.2572 8.104850 614.0699 8.061999 
6.187256       11.43173 
1 1 1 -9  5  9  o 649.7590 5.956210 4295.460       78.69981  4260.939       
110.5629  4330.916       112.0486  646.9335 8.404238 652.2197 8.448144 
-5.286133      11.91647 
1 1 1 -9  5  10 o 539.1069 5.262442 2956.606       57.69174  2922.982       
80.78648  2991.600       82.41476  535.8976 7.413197 542.1466 7.475441 
-6.249023      10.52795 
1 1 1 -9  5  11 o 361.5844 4.382121 1329.860       32.22148  1291.868       
45.04036  1369.688       46.11475  356.3133 6.216105 366.8899 6.180914 
-10.57654      8.766051 
1 1 1 -9  5  12 o 667.5920 7.130744 4536.794       96.80491  4555.309       
119.0125  4500.595       166.4162  668.7559 8.751322 664.1566 12.32179 
4.599365       15.11331 
1 1 1 -9  5  13 o 213.5673 4.644306 464.0323       20.17005  449.9890       
28.37323  478.3796       28.67874  210.2460 6.636356 216.7820 6.505569 
-6.536057      9.293204 
1 1 1 -9  5  14 o 377.6898 5.377646 1451.861       41.30275  1409.221       
69.68266  1474.955       51.28204  371.7433 9.217860 380.5835 6.626189 
-8.840210      11.35233 
1 1 1 -9  5  15 o 623.6824 6.914571 3963.448       87.69608  3951.610       
107.4336  3987.087       151.8143  622.4149 8.488062 624.2188 11.95981 
-1.803894      14.66575 
1 1 1 -9  5  16 o 473.4385 5.150247 2282.462       49.58418  2318.207       
71.11948  2248.653       69.16652  476.7620 7.335598 469.5732 7.243380 
7.188843       10.30910 
1 1 1 -9  5  17 o 324.6405 4.625946 1073.186       30.53899  1079.980       
43.23937  1066.424       43.13812  325.4251 6.533967 323.3724 6.560046 
2.052704       9.258883 
1 1 1 -9  5  18 o 271.9388 4.748099 753.3034       26.25683  737.5286       
36.90854  769.4675       37.36115  268.8218 6.751666 274.5900 6.690893 
-5.768188      9.505422 
1 1 1 -9  5  19 o 227.0988 4.994818 525.6138       23.06672  552.4411       
32.74841  499.1992       32.49559  232.5718 6.924393 221.0362 7.229521 
11.53563       10.01065 
1 1 1 -9  5  20 o 129.9102 7.713242 173.2878       20.28525  128.9308       
33.94216  197.9342       25.30080  110.1811 15.58363 138.6338 9.023733 
-28.45271      18.00770 
1 1 1 -9  5  21 o 82.66887 12.46092 72.27722       20.29748  86.33484       
35.73699  65.58289       24.66128  88.32868 20.31900 77.75500 16.12576 
10.57368       25.94035 
1 1 1 -9  5  22 o 156.8964 6.643555 251.7481       21.19654  252.4872       
30.45609  251.0538       29.51875  156.3456 9.626162 155.9685 9.350137 
0.3770905      13.41969 
1 1 1 -9  5  23 o 213.7138 5.866353 466.8118       25.49483  441.3062       
36.39739  491.3802       35.72236  207.1671 8.639690 218.7712 8.029687 
-11.60414      11.79492 
1 1 1 -9  5  24 f 115.4521 8.887462 138.3812       20.70524  140.0650       
29.34274  136.7114       29.22091  114.9225 12.77182 113.4797 12.89142 
1.442833       18.14685 
1 1 1 -9  5  25 o 133.8371 9.289784 187.1905       25.12671  190.7650       
30.45860  179.5760       44.45543  134.2756 11.25871 126.7249 17.73688 
7.550705       21.00846 
1 1 1 -9  5  26 o 53.55259 16.20376 32.70179       19.15396  42.02719       
26.71851  22.84241       27.47282  59.91540 19.29530 49.61845 19.17429 
10.29695       27.20224 
1 1 1 -9  6  1  o 298.4028 4.471690 905.7437       27.13476  889.1950       
32.60698  943.0149       48.93462  295.6357 5.423782 304.3480 7.906682 
-8.712311      9.588171 
1 1 1 -9  6  2  o 382.6333 4.874281 1489.389       37.92667  1495.492       
46.47517  1477.221       65.62132  383.3681 5.961473 380.8713 8.472571 
2.496765       10.35971 
1 1 1 -9  6  3  o 249.0515 4.242862 630.9188       21.48818  644.9841       
26.49944  603.9120       36.71959  251.7878 5.175481 243.5630 7.413702 
8.224808       9.041492 
1 1 1 -9  6  4  o 686.5201 6.154097 4796.222       85.91499  4649.893       
118.2769  4959.675       125.0065  675.6902 8.607974 697.8074 8.809382 
-22.11719      12.31675 
1 1 1 -9  6  5  o 75.27347 6.801369 58.14066       10.29848  60.56522       
12.38949  52.72031       18.52469  76.70235 8.063901 70.71439 13.37213 
5.987953       15.61539 
1 1 1 -9  6  6  o 245.8097 4.323372 614.6019       21.61091  624.1187       
26.59060  596.0846       37.09113  247.6812 5.279389 241.9794 7.537724 
5.701736       9.202675 
1 1 1 -9  6  7  o 295.1212 3.893278 885.8408       23.36508  884.3967       
33.03698  887.2860       33.04945  294.8352 5.510228 295.3167 5.503321 
-0.4814148     7.787757 
1 1 1 -9  6  8  o 148.6104 4.242394 224.6309       12.82070  224.6907       
17.86882  224.5675       18.40551  148.6061 5.912997 148.5623 6.092391 
0.4382324E-01  8.490039 
1 1 1 -9  6  9  o 267.9892 3.951221 730.4349       21.53277  711.8008       
30.35447  749.3103       30.55036  264.5090 5.643269 271.3919 5.535642 
-6.882935      7.905050 
1 1 1 -9  6  10 o 692.1636 6.280962 4874.839       88.40694  5008.286       
127.8570  4752.588       122.3757  701.3045 8.965333 683.1852 8.808564 
18.11926       12.56853 
1 1 1 -9  6  11 o 378.6908 4.465912 1458.702       34.39112  1421.911       
47.95610  1497.657       49.34646  373.8093 6.308735 383.6358 6.325363 
-9.826508      8.933663 
1 1 1 -9  6  12 o 125.1692 6.629417 159.9110       16.81411  160.0252       
20.52106  159.6779       29.32962  125.0953 8.110630 124.5711 11.71576 
0.5242004      14.24926 
1 1 1 -9  6  13 o 429.7590 4.836727 1879.141       42.26958  1888.686       
60.03340  1869.755       59.52625  430.7052 6.854273 428.5432 6.830657 
2.162018       9.676722 
1 1 1 -9  6  14 o 59.42695 13.67707 37.58443       16.18542  33.58006       
27.46762  39.71441       20.03276  58.71550 19.60309 61.10492 15.95087 
-2.389416      25.27274 
1 1 1 -9  6  15 o 165.8798 6.153991 280.2612       20.75877  288.5183       
25.77932  265.0321       35.01009  168.2327 7.535457 160.6662 10.77807 
7.566544       13.15104 
1 1 1 -9  6  16 o 123.9903 6.521891 157.1326       16.38640  170.5133       
23.51144  144.4937       22.85044  128.8818 9.027909 118.5151 9.562750 
10.36671       13.15102 
1 1 1 -9  6  17 o 173.4900 5.180452 306.6199       18.27652  297.4933       
25.56190  316.1652       26.14166  170.7223 7.362944 176.0038 7.303981 
-5.281509      10.37117 
1 1 1 -9  6  18 o 112.6747 6.921668 130.0859       15.78269  122.4216       
22.27123  137.8178       22.36929  108.7920 10.18546 115.5882 9.603679 
-6.796265      13.99908 
1 1 1 -9  6  19 o 271.8827 5.565873 753.8173       30.77275  746.4773       
37.33178  769.3775       54.35472  270.3614 6.790200 273.8384 9.760937 
-3.477051      11.89045 
1 1 1 -9  6  20 o 156.9907 6.954572 251.9140       22.20219  250.3770       
38.42249  252.6844       27.20364  155.1931 12.27497 156.7905 8.564507 
-1.597427      14.96749 
1 1 1 -9  6  21 o 71.16786 12.27567 53.85992       17.12385  48.80846       
24.55980  58.63871       23.88774  66.81550 17.76795 73.36949 16.42042 
-6.553993      24.19360 
1 1 1 -9  6  22 o 117.9055 8.203902 143.2866       19.54754  112.5990       
27.97612  172.5606       27.32419  103.1247 13.67803 128.9182 10.51431 
-25.79348      17.25222 
1 1 1 -9  6  23 o 131.0813 7.709050 176.8945       20.45864  212.7400       
29.71490  144.5889       28.20954  143.1384 10.27702 117.3894 11.98535 
25.74904       15.78815 
1 1 1 -9  6  24 o 58.73599 15.24124 38.03390       18.36149  29.74975       
26.07997  46.17616       25.85564  54.41148 19.07354 64.35013 18.66635 
-9.938648      26.68769 
1 1 1 -9  6  25 f 47.67382 17.24989 22.11149       21.49490  13.56696       
25.73788  41.81048       39.07964  45.26114 18.21967 62.92680 23.18394 
-17.66566      29.48646 
1 1 1 -9  6  26 o 86.87476 13.41582 83.52611       22.93731  33.21309       
38.40489  111.4248       28.59817  57.49561 22.54376 99.94096 14.49451 
-42.44534      26.80134 
1 1 1 -9  7  1  o 133.1554 5.006711 180.3685       13.55697  178.1200       
16.04211  185.9865       25.35771  132.3087 5.962406 134.8092 9.306938 
-2.500549      11.05303 
1 1 1 -9  7  2  f 432.9421 5.200650 1906.905       45.78665  1861.951       
54.94997  2009.000       82.81064  427.7505 6.317213 444.1136 9.169394 
-16.36304      11.13485 
1 1 1 -9  7  3  o 206.3537 5.194481 433.2136       21.79746  433.2136       
21.79746  0.000000       0.000000  206.3537 5.194481 ?        ?        
0.000000       5.194481 
1 1 1 -9  7  4  o 266.9477 4.317069 724.8576       23.43509  701.6392       
28.06367  778.3535       42.59793  262.6115 5.255082 276.5046 7.575909 
-13.89316      9.220101 
1 1 1 -9  7  5  o 334.7201 4.606936 1139.690       31.35778  1118.892       
37.93946  1184.528       55.70706  331.6141 5.626090 341.0794 8.031623 
-9.465271      9.806113 
1 1 1 -9  7  6  o 813.8159 8.203794 6743.564       135.7664  6598.255       
162.8466  7074.785       245.8617  804.7316 9.951219 832.3043 14.52638 
-27.57275      17.60802 
1 1 1 -9  7  7  f 377.8269 4.908601 1452.169       37.71395  1429.252       
45.52620  1502.293       67.33006  374.7903 5.973402 384.0989 8.620144 
-9.308655      10.48754 
1 1 1 -9  7  8  o 245.5051 3.888319 613.0103       19.41216  661.0983       
28.16591  569.5008       26.79150  254.9177 5.433409 236.5963 5.568493 
18.32141       7.780106 
1 1 1 -9  7  9  f 584.8325 5.524427 3479.620       65.70072  3387.007       
90.84547  3581.180       95.13240  576.8386 7.744575 593.1305 7.887271 
-16.29193      11.05384 
1 1 1 -9  7  10 o 300.6086 5.824857 919.4030       35.60722  919.4030       
35.60722  0.000000       0.000000  300.6086 5.824857 ?        ?        
0.000000       5.824857 
1 1 1 -9  7  11 o 49.61312 12.09444 26.10820       12.09144  36.63723       
16.91109  15.09554       17.29513  58.73750 14.29366 42.54787 15.46124 
16.18962       21.05609 
1 1 1 -9  7  12 o 486.8382 5.066976 2411.359       50.16316  2429.927       
71.07562  2392.931       70.80798  488.5575 7.154077 484.8217 7.182055 
3.735779       10.13719 
1 1 1 -9  7  13 f 307.8694 4.470784 964.2936       27.98992  967.8423       
39.58912  960.7469       39.57833  308.3455 6.313741 307.2119 6.335313 
1.133575       8.944244 
1 1 1 -9  7  14 o 293.7168 5.263035 878.0591       31.43521  851.1790       
54.84565  891.2097       38.36159  288.8688 9.336629 295.8372 6.376647 
-6.968445      11.30638 
1 1 1 -9  7  15 o 307.3050 4.589116 961.1592       28.67808  947.8735       
40.16208  974.9806       40.96365  305.0226 6.474896 309.3498 6.511745 
-4.327240      9.182979 
1 1 1 -9  7  16 o 306.3258 4.611073 955.3066       28.72347  937.5230       
40.61877  973.0943       40.62349  303.2601 6.586583 308.9742 6.465520 
-5.714172      9.229628 
1 1 1 -9  7  17 o 210.2935 4.828528 450.4143       20.64867  464.6764       
29.26549  436.2761       29.13817  213.4245 6.743105 206.7805 6.929492 
6.644089       9.668885 
1 1 1 -9  7  18 o 139.3601 6.011198 198.0792       17.03534  206.1785       
24.47736  190.4711       23.72354  141.7071 8.533989 136.1701 8.611704 
5.537003       12.12396 
1 1 1 -9  7  19 o 254.5486 5.724116 660.9121       29.62992  660.6822       
35.65417  661.4254       53.27038  254.3225 6.894046 253.7415 10.32388 
0.5809174      12.41412 
1 1 1 -9  7  20 o 159.2054 6.797342 259.0353       22.00636  270.3731       
39.30238  253.8573       26.56029  161.3408 12.06643 157.1880 8.339084 
4.152786       14.66762 
1 1 1 -9  7  21 o 127.2638 7.329527 166.3199       18.88826  168.6291       
26.46902  163.9239       26.96187  127.5426 10.29310 125.6541 10.65197 
1.888527       14.81258 
1 1 1 -9  7  22 o 161.5063 6.478541 266.7230       21.27739  282.0205       
30.35803  251.9525       29.83044  165.3880 9.060954 156.2027 9.435455 
9.185272       13.08162 
1 1 1 -9  7  23 o 212.6706 5.839326 462.3373       25.25350  432.9088       
35.34300  493.0342       36.09662  205.1876 8.470342 219.0773 8.102473 
-13.88974      11.72164 
1 1 1 -9  7  24 o 98.93850 10.18115 102.6269       20.19155  82.03962       
28.87110  122.3371       28.24939  85.99567 17.11148 107.0664 13.25846 
-21.07068      21.64693 
1 1 1 -9  7  25 o 86.32446 13.35309 81.15567       22.68383  90.87983       
27.30203  59.48035       40.76163  90.53344 15.38001 71.06220 23.87953 
19.47124       28.40382 
1 1 1 -9  7  26 o 96.97848 12.24772 102.5535       23.61502  114.0786       
41.16653  96.90083       28.83034  96.10338 21.59146 92.15683 15.96224 
3.946548       26.85115 
1 1 1 -9  8  1  o 389.3220 4.948277 1541.896       39.17548  1485.725       
46.50322  1679.202       72.70699  382.1209 5.984540 406.0687 8.804917 
-23.94775      10.64619 
1 1 1 -9  8  2  o 214.0925 3.702334 466.1749       16.11865  491.7996       
23.11770  441.9318       22.48585  219.8680 5.170484 208.4199 5.305407 
11.44809       7.408187 
1 1 1 -9  8  3  o 333.1508 3.959633 1128.882       26.82546  1114.432       
37.71798  1143.673       38.15973  330.9560 5.604371 335.2701 5.597048 
-4.314148      7.920601 
1 1 1 -9  8  4  o 476.4736 4.734604 2309.457       45.87477  2262.074       
63.92715  2359.764       65.86990  471.4479 6.668071 481.5161 6.727051 
-10.06827      9.471873 
1 1 1 -9  8  5  o 587.2165 5.464391 3508.290       65.25164  3443.985       
90.92260  3576.583       93.69955  581.6281 7.687322 592.7105 7.773981 
-11.08246      10.93296 
1 1 1 -9  8  6  o 102.9608 4.923859 107.8408       10.30929  112.1621       
14.40638  103.3053       14.75910  104.7595 6.799304 100.4807 7.272295 
4.278816       9.955743 
1 1 1 -9  8  7  o 282.1262 4.489529 809.6215       25.75702  775.6520       
30.81931  888.3076       46.90590  276.1168 5.488815 295.3983 7.808506 
-19.28159      9.544625 
1 1 1 -9  8  8  o 346.4807 4.137557 1221.016       29.15241  1213.575       
40.98994  1228.632       41.46970  345.3675 5.836391 347.5022 5.868429 
-2.134705      8.276588 
1 1 1 -9  8  9  o 488.1918 5.680660 2424.753       56.39501  2366.083       
67.64792  2558.432       102.1120  482.1794 6.899130 501.1456 10.01985 
-18.96622      12.16534 
1 1 1 -9  8  10 o 688.1229 7.229109 4819.455       101.1585  4786.772       
123.0156  4887.711       177.7761  685.6140 8.823257 692.2523 12.62866 
-6.638367      15.40562 
1 1 1 -9  8  11 o 493.4005 7.119113 2477.984       71.42938  2477.984       
71.42938  0.000000       0.000000  493.4005 7.119113 ?        ?        
0.000000       7.119113 
1 1 1 -9  8  12 o 115.1795 7.122961 135.5760       16.60162  124.9688       
20.32839  156.8179       28.76721  110.3711 9.139482 123.4415 11.59593 
-13.07039      14.76468 
1 1 1 -9  8  13 o 639.0714 6.966939 4158.758       90.54048  4246.707       
112.8778  4000.089       151.6145  645.5435 8.598677 625.8710 11.91254 
19.67255       14.69170 
1 1 1 -9  8  14 o 528.0810 6.303352 2839.811       67.68984  2860.745       
117.1088  2829.308       82.95010  529.2204 10.88182 526.8981 7.741745 
2.322327       13.35472 
1 1 1 -9  8  15 o 183.2787 5.047692 341.9738       18.81292  385.6397       
27.16862  301.7494       26.07598  194.5242 6.868192 172.0347 7.453721 
22.48950       10.13558 
1 1 1 -9  8  16 o 210.3338 4.873457 450.4837       20.84480  440.6948       
29.70522  459.9800       29.25787  207.8710 7.027280 212.3936 6.774073 
-4.522552      9.760673 
1 1 1 -9  8  17 o 83.93351 8.845044 72.83500       14.86958  58.45725       
20.57368  88.55913       21.51543  74.07684 14.17412 92.12841 11.75200 
-18.05157      18.41236 
1 1 1 -9  8  18 o 234.0018 4.889751 557.9146       23.26791  534.2715       
32.65373  582.3021       33.16378  228.7365 7.020142 238.8245 6.828633 
-10.08800      9.793498 
1 1 1 -9  8  19 o 361.2798 5.663127 1331.343       41.60557  1324.419       
50.48452  1346.003       73.45516  360.0634 6.894898 362.0562 9.976884 
-1.992798      12.12757 
1 1 1 -9  8  20 o 181.7607 6.391685 337.4655       23.62473  358.5388       
41.41790  327.3027       28.76267  186.2014 10.98708 178.7837 7.911338 
7.417694       13.53902 
1 1 1 -9  8  21 o 243.7666 5.292111 606.3359       26.23340  584.2298       
37.51366  627.4923       36.69900  238.8031 7.724991 247.5893 7.289051 
-8.786118      10.62101 
1 1 1 -9  8  22 o 285.2778 5.232304 830.5986       30.35375  864.1138       
44.10354  800.4365       41.83927  290.4114 7.468069 279.5369 7.360266 
10.87454       10.48549 
1 1 1 -9  8  23 o 274.2501 5.431196 768.3787       30.28961  731.2302       
42.82233  805.5746       42.84965  266.8377 7.891719 280.2022 7.520111 
-13.36453      10.90098 
1 1 1 -9  8  24 o 99.51691 9.852915 103.6828       19.67745  117.5066       
28.73570  91.47723       27.00142  104.6245 13.84652 91.68949 15.00041 
12.93500       20.41417 
1 1 1 -9  8  25 o 79.49712 14.28549 69.80618       22.24503  72.57030       
26.59099  63.36156       40.60263  79.94496 16.88592 72.72277 23.81297 
7.222191       29.19232 
1 1 1 -9  8  26 o 73.33643 15.17832 61.48851       21.88982  26.65961       
38.59613  78.00391       26.57777  54.76730 22.21806 82.08423 16.49470 
-27.31693      27.67160 
1 1 1 -9  9  1  o 76.75773 6.263846 60.35180       9.691962  39.38648       
13.50516  82.61569       13.91713  61.19982 11.26686 89.75751 7.699310 
-28.55769      13.64630 
1 1 1 -9  9  2  o 310.6985 3.887465 981.8278       24.56162  930.3779       
33.70429  1040.093       35.86727  302.4016 5.480871 319.7339 5.516430 
-17.33234      7.776307 
1 1 1 -9  9  3  o 128.4110 4.119042 167.7187       10.75598  178.8280       
15.35447  157.0144       15.07197  132.5740 5.695408 124.2213 5.966542 
8.352768       8.248472 
1 1 1 -9  9  4  o 128.1191 4.106324 166.9571       10.69839  147.3548       
14.98772  187.3208       15.27603  120.1791 6.153388 135.6879 5.536280 
-15.50876      8.277353 
1 1 1 -9  9  5  o 308.7311 3.862960 969.4343       24.25225  940.4066       
33.78389  1000.298       34.83603  304.0262 5.464460 313.5580 5.463354 
-9.531860      7.727131 
1 1 1 -9  9  6  o 658.5620 5.970462 4412.977       79.95691  4516.855       
115.2577  4316.607       111.0139  666.0173 8.510070 651.1006 8.384516 
14.91669       11.94661 
1 1 1 -9  9  7  o 457.9460 5.415961 2133.544       50.43606  2113.911       
61.12048  2175.446       89.29043  455.7703 6.594613 462.1428 9.501174 
-6.372498      11.56552 
1 1 1 -9  9  8  o 489.8471 4.899045 2440.861       48.80040  2353.487       
67.19334  2538.392       70.99156  480.8926 6.871107 499.4185 6.990217 
-18.52597      9.801798 
1 1 1 -9  9  9  o 386.6718 4.381594 1520.783       34.45293  1511.632       
48.49776  1530.105       48.95302  385.4360 6.187541 387.7830 6.207822 
-2.346985      8.764857 
1 1 1 -9  9  10 o 620.5316 5.804280 3917.825       73.24258  3821.288       
101.4639  4022.861       105.8357  612.6367 8.144362 628.5733 8.279893 
-15.93658      11.61410 
1 1 1 -9  9  11 o 597.9540 6.569589 3638.995       79.88356  3531.275       
95.58315  3888.529       145.4780  588.9005 7.981563 617.4798 11.58572 
-28.57928      14.06892 
1 1 1 -9  9  12 f 262.3182 4.356073 699.9974       23.23673  715.4839       
33.27214  685.2521       32.46610  265.1371 6.171044 259.4760 6.152924 
5.661194       8.714371 
1 1 1 -9  9  13 o 126.4572 6.851915 163.3165       17.55429  182.4016       
30.00974  153.3895       21.64344  133.2072 11.18202 122.3639 8.755908 
10.84332       14.20223 
1 1 1 -9  9  14 o 185.0036 5.772253 348.4731       21.71586  380.0879       
39.03769  334.3060       26.13235  192.6976 9.996568 181.1415 7.094292 
11.55605       12.25807 
1 1 1 -9  9  15 o 374.0548 4.711199 1424.264       35.83589  1412.345       
50.57016  1436.286       50.78975  372.2708 6.680115 375.4162 6.652909 
-3.145447      9.427892 
1 1 1 -9  9  16 o 231.3171 4.717280 544.8275       22.18968  532.5628       
31.00787  557.7007       31.76781  228.5352 6.672175 233.8658 6.679887 
-5.330688      9.441335 
1 1 1 -9  9  17 o 56.22777 12.69218 33.81530       14.16831  35.74809       
19.47378  31.64154       20.65212  57.84190 16.01122 55.07350 16.85998 
2.768402       23.25120 
1 1 1 -9  9  18 o 247.5984 5.457200 624.9954       27.47699  635.9338       
34.15866  604.9427       46.24999  249.5824 6.730316 242.9656 9.360854 
6.616791       11.52921 
1 1 1 -9  9  19 o 264.8456 6.893985 716.6433       37.12912  716.6433       
37.12912  0.000000       0.000000  264.8456 6.893985 ?        ?        
0.000000       6.893985 
1 1 1 -9  9  20 o 30.00684 13.93071 -17.14802      20.38902  -35.92073      
30.47775  -1.940844      27.43113  34.12812 16.20881 41.17852 17.81898 
-7.050407      24.08820 
1 1 1 -9  9  21 o 121.9811 8.568451 153.4570       21.11942  162.6685       
27.09138  139.1869       33.71962  125.1104 10.75294 114.5110 14.82877 
10.59937       18.31716 
1 1 1 -9  9  22 o 118.8295 9.162760 146.0953       21.97034  137.1021       
27.20734  162.9507       37.24754  114.4180 11.86592 123.7997 15.10887 
-9.381752      19.21140 
1 1 1 -9  9  23 o 103.1414 10.53534 111.2315       21.78677  93.33855       
28.13110  138.0495       34.43964  92.90206 15.43198 113.4325 15.32246 
-20.53043      21.74681 
1 1 1 -9  9  24 o 118.3855 9.561699 146.2108       22.82247  169.3013       
29.90462  114.0031       35.31845  126.6645 11.74356 101.2625 17.80124 
25.40195       21.32593 
1 1 1 -9  9  25 o 85.70126 16.07867 82.58861       26.99205  82.58861       
26.99205  0.000000       0.000000  85.70126 16.07867 ?        ?        
0.000000       16.07867 
1 1 1 -9  9  26 o 108.7788 13.53461 130.9664       29.29191  113.4074       
41.89568  147.7579       40.96986  94.97622 22.10644 111.8110 18.67778 
-16.83482      28.94053 
1 1 1 -9  10 1  o 397.9765 4.317574 1611.023       34.94206  1576.356       
48.82011  1647.435       50.03330  393.5965 6.099526 402.3716 6.114774 
-8.775116      8.636821 
1 1 1 -9  10 2  o 428.0821 5.195427 1864.304       45.22720  1748.389       
75.78448  1928.425       56.36493  414.3306 8.994601 435.3209 6.367194 
-20.99030      11.02016 
1 1 1 -9  10 3  o 440.8456 5.260319 1977.174       47.15741  2100.175       
86.43761  1925.049       56.26921  454.0679 9.361178 434.9377 6.361981 
19.13028       11.31841 
1 1 1 -9  10 4  o 347.7043 4.691815 1229.821       33.17435  1209.884       
58.12542  1239.453       40.40071  344.7057 8.292132 349.0253 5.692208 
-4.319550      10.05787 
1 1 1 -9  10 5  o 178.3891 3.824122 323.6605       13.87239  319.6011       
19.73412  327.6260       19.50494  177.2387 5.475299 179.4527 5.344946 
-2.213974      7.651624 
1 1 1 -9  10 6  o 331.8887 3.997768 1120.332       26.98121  1112.767       
38.01486  1128.012       38.30115  330.7128 5.652635 332.9703 5.656592 
-2.257477      7.996832 
1 1 1 -9  10 7  o 212.7184 3.843310 460.2119       16.62501  434.0618       
22.77414  490.0447       24.32503  206.5567 5.421896 219.4725 5.450318 
-12.91576      7.687843 
1 1 1 -9  10 8  o 328.5413 4.750713 1097.974       31.73951  1064.498       
38.07510  1174.216       57.46117  323.4597 5.788546 339.6026 8.320551 
-16.14285      10.13602 
1 1 1 -9  10 9  o 399.4565 4.452679 1623.044       36.16948  1639.142       
51.42664  1607.287       50.88047  401.3538 6.300998 397.4349 6.295549 
3.918854       8.907104 
1 1 1 -9  10 10 o 777.0323 6.898717 6145.171       109.0081  6236.517       
156.1713  6058.381       152.2260  782.3857 9.815869 771.1482 9.707324 
11.23755       13.80520 
1 1 1 -9  10 11 o 472.3392 5.704675 2270.206       54.79441  2247.519       
66.77280  2316.981       95.88012  469.8823 6.988099 476.8112 9.888505 
-6.928925      12.10851 
1 1 1 -9  10 12 o 236.4312 4.396104 568.6756       21.13607  564.0615       
30.00508  573.2200       29.77805  235.4048 6.267986 237.3122 6.170562 
-1.907410      8.795651 
1 1 1 -9  10 13 f 269.6524 5.045310 739.9521       27.66582  789.5604       
48.72968  716.3563       33.60735  278.3161 8.610011 265.2583 6.230369 
13.05780       10.62778 
1 1 1 -9  10 14 o 284.9133 5.197971 826.3234       30.11605  843.9352       
53.73788  818.2592       36.36303  287.5800 9.189047 283.4420 6.308765 
4.137909       11.14626 
1 1 1 -9  10 15 o 183.6952 5.002606 343.5640       18.68726  334.2744       
26.24493  353.1171       26.61450  181.0681 7.127743 186.1082 7.032362 
-5.040176      10.01293 
1 1 1 -9  10 16 o 241.4237 4.616936 593.4745       22.66653  561.5652       
31.39936  628.1968       32.75418  234.6709 6.579761 248.2128 6.489199 
-13.54192      9.241372 
1 1 1 -9  10 17 o 173.3628 5.166817 306.2402       18.21505  335.5367       
25.62974  276.3405       25.89220  181.3089 6.951421 164.4637 7.741900 
16.84526       10.40477 
1 1 1 -9  10 18 o 100.7566 7.572547 104.3438       15.40206  114.8243       
21.62537  93.55435       21.94168  105.2796 10.23027 94.64700 11.64586 
10.63260       15.50111 
1 1 1 -9  10 19 o 112.3587 8.774058 130.1622       19.88842  119.4324       
23.58608  156.5639       36.99778  107.1679 10.97772 121.7297 15.28299 
-14.56176      18.81702 
1 1 1 -9  10 20 o 167.1866 6.808430 285.7719       23.14727  232.3569       
39.69682  313.2896       28.49248  149.0716 13.23269 174.8660 8.012601 
-25.79437      15.46951 
1 1 1 -9  10 21 o 177.4327 5.998485 321.6284       21.64346  308.3071       
30.37889  335.3601       30.84334  173.2818 8.621196 180.7710 8.390369 
-7.489212      12.03010 
1 1 1 -9  10 22 o 63.41634 14.25957 43.66273       17.94260  69.60674       
25.61000  18.65088       25.14571  79.89555 16.31460 48.45486 18.43884 
31.44069       24.62025 
1 1 1 -9  10 23 o 219.7966 5.918675 494.1547       26.45434  524.9078       
38.63139  466.9994       36.30139  225.8466 8.411539 213.0345 8.379573 
12.81210       11.87313 
1 1 1 -9  10 24 o 133.4291 7.804834 184.1013       21.08479  192.7769       
30.69406  176.3496       29.01365  135.3504 11.25380 129.4662 11.12849 
5.884171       15.82691 
1 1 1 -9  10 25 o 88.31055 11.10945 83.52036       19.50908  109.3764       
27.89223  58.75534       27.29741  99.80702 14.13803 70.89214 18.67502 
28.91488       23.42308 
1 1 1 -9  10 26 o 119.2270 10.21796 151.9663       24.53429  191.6966       
44.38097  134.4813       29.44210  128.4537 17.44121 110.2009 13.41486 
18.25278       22.00351 
1 1 1 -9  11 1  o 329.2895 4.000265 1102.862       26.78662  1120.789       
38.23294  1085.579       37.54056  331.8996 5.664735 326.6451 5.651622 
5.254425       8.001879 
1 1 1 -9  11 2  o 240.8648 3.724496 590.0549       18.24283  594.4976       
25.57984  585.4564       26.02442  241.7369 5.203594 239.8883 5.334831 
1.848663       7.452369 
1 1 1 -9  11 3  o 149.3271 4.778350 226.8319       14.51002  222.9261       
26.89858  228.4349       17.23223  147.6738 9.000205 149.8396 5.655404 
-2.165817      10.62955 
1 1 1 -9  11 4  o 343.7017 4.688766 1201.664       32.77115  1184.430       
57.80306  1209.827       39.78261  341.0602 8.334287 344.8307 5.673303 
-3.770538      10.08200 
1 1 1 -9  11 5  o 332.1216 3.988770 1121.910       26.93938  1122.026       
38.27538  1121.796       37.92313  332.0833 5.667886 332.0513 5.616263 
0.3195190E-01  7.979182 
1 1 1 -9  11 6  o 431.1346 4.504027 1890.711       39.48801  1892.592       
56.06018  1888.858       55.63125  431.2594 6.392408 430.8362 6.349729 
0.4231873      9.010102 
1 1 1 -9  11 7  o 439.7893 5.327118 1967.686       47.64183  1997.727       
84.80878  1953.835       57.58691  442.8684 9.417045 438.1803 6.462781 
4.688110       11.42140 
1 1 1 -9  11 8  o 265.3152 5.771993 716.1976       31.14149  665.7573       
43.22525  770.6323       44.90414  255.7111 8.312593 275.1284 8.026007 
-19.41727      11.55491 
1 1 1 -9  11 9  o 298.5880 4.744089 906.9128       28.80558  956.0510       
52.55362  885.8102       34.43991  306.4185 8.434051 295.0623 5.739802 
11.35617       10.20189 
1 1 1 -9  11 10 o 615.4204 6.716616 3854.758       84.05699  3880.302       
146.8824  3842.319       102.5007  616.8313 11.70986 614.2763 8.205626 
2.554993       14.29871 
1 1 1 -9  11 11 o 139.9606 7.534522 200.0339       21.36537  229.8943       
32.11492  176.3238       28.61708  149.7832 10.61238 131.0507 10.83547 
18.73253       15.16674 
1 1 1 -9  11 12 o 124.0499 6.034284 156.6313       15.22206  151.1069       
21.86357  161.8285       21.20599  121.4412 8.915583 125.7552 8.339739 
-4.314003      12.20815 
1 1 1 -9  11 13 o 515.2001 6.072648 2702.387       63.62172  2587.799       
106.4956  2765.980       79.33530  503.5160 10.40080 521.0476 7.487514 
-17.53159      12.81560 
1 1 1 -9  11 14 o 192.1465 5.519861 375.9127       21.56811  416.3074       
38.62233  357.6069       25.99985  201.9415 9.405057 187.3412 6.824739 
14.60031       11.62033 
1 1 1 -9  11 15 o 30.28931 12.80323 0.7086403      13.57112  20.31240       
19.43006  -17.96473      18.96338  47.02583 16.46442 28.50235 13.29955 
18.52348       21.16495 
1 1 1 -9  11 16 o 88.32541 8.239962 80.38260       14.62913  76.13695       
20.29039  84.97881       21.11147  85.28826 12.03338 90.24063 11.78594 
-4.952370      16.84371 
1 1 1 -9  11 17 o 278.4726 6.529121 791.2702       36.97334  791.2702       
36.97334  0.000000       0.000000  278.4726 6.529121 ?        ?        
0.000000       6.529121 
1 1 1 -9  11 18 o 178.9929 5.239820 326.6078       19.07233  327.6144       
26.47386  325.5216       27.50008  179.0527 7.270845 178.4413 7.578567 
0.6114044      10.50237 
1 1 1 -9  11 19 o 173.1072 6.566065 306.1021       23.11382  305.5073       
28.05498  307.3590       40.78162  172.7474 7.986327 172.2142 11.71476 
0.5331879      14.17804 
1 1 1 -9  11 20 o 139.7788 7.692745 200.6929       21.78207  189.6314       
37.67424  206.2472       26.69643  134.2857 14.00227 141.3703 9.338935 
-7.084564      16.83090 
1 1 1 -9  11 21 o 46.15174 15.41287 21.29315       16.98011  28.97748       
23.95782  13.53697       24.06956  53.82699 18.30620 45.29134 17.81900 
8.535656       25.54670 
1 1 1 -9  11 22 o 89.17296 10.70409 83.33200       19.02252  128.2351       
27.36726  41.35830       26.45951  110.4097 12.40377 61.91685 19.10532 
48.49284       22.77865 
1 1 1 -9  11 23 o 279.2246 5.433007 796.8977       30.84930  783.9054       
43.50359  810.0391       43.75248  276.1955 7.745637 280.7933 7.662394 
-4.597809      10.89528 
1 1 1 -9  11 24 o 45.00884 16.06548 19.44310       18.57524  24.28824       
26.62315  14.84721       25.92930  51.30125 19.08985 46.27686 18.40284 
5.024384       26.51579 
1 1 1 -9  11 25 o 117.3928 9.017853 144.6679       21.36310  129.3843       
29.66782  161.1266       30.78722  108.7728 13.71769 122.1845 12.57023 
-13.41174      18.60607 
1 1 1 -9  11 26 o 52.53452 17.53644 31.65112       21.98133  36.58914       
39.13409  29.37510       26.56848  58.11950 22.76551 52.03145 19.12404 
6.088055       29.73209 
1 1 1 -9  12 1  f 642.6967 5.853158 4202.903       76.49759  4155.636       
107.1423  4252.055       109.2566  638.8438 8.247355 646.2049 8.314305 
-7.361145      11.71096 
1 1 1 -9  12 2  o 216.8837 4.429869 478.4685       19.53751  479.3222       
35.09126  478.0850       23.52015  216.9782 7.953007 216.7767 5.335510 
0.2014923      9.576951 
1 1 1 -9  12 3  o 139.0749 4.880719 196.7588       13.80334  199.6021       
26.84260  195.7367       16.09435  139.6574 9.508278 138.7006 5.706158 
0.9568329      11.08908 
1 1 1 -9  12 4  o 711.1086 7.333846 5147.268       106.0521  5040.732       
181.6774  5202.333       130.6154  702.9282 12.70979 714.7028 8.987053 
-11.77460      15.56618 
1 1 1 -9  12 5  o 225.3587 4.404990 516.5866       20.18695  507.9215       
36.69502  520.3471       24.17365  223.3555 8.079027 226.1584 5.256277 
-2.802872      9.638419 
1 1 1 -9  12 6  o 360.8725 4.134963 1324.586       30.34427  1320.109       
42.72579  1329.142       43.10326  360.2001 5.833038 361.4291 5.864563 
-1.229004      8.271483 
1 1 1 -9  12 7  o 528.8079 5.117928 2844.769       55.03558  2873.098       
78.41846  2817.271       77.25863  531.2923 7.258275 526.1082 7.221386 
5.184143       10.23870 
1 1 1 -9  12 8  f 676.4144 7.113009 4656.881       97.84027  4640.028       
119.1078  4691.847       171.5621  675.0196 8.677056 678.2299 12.43922 
-3.210266      15.16659 
1 1 1 -9  12 9  o 419.6791 4.564117 1791.631       38.95162  1755.453       
54.27853  1830.044       55.93043  415.3299 6.426633 424.0585 6.485910 
-8.728668      9.130643 
1 1 1 -9  12 10 o 490.5473 5.755036 2448.604       57.40905  2478.731       
71.21284  2392.681       97.02465  493.4566 7.096724 484.5526 9.846678 
8.903931       12.13757 
1 1 1 -9  12 11 o 366.3268 4.439622 1365.169       33.07243  1358.358       
46.73512  1372.001       46.80792  365.3155 6.291061 367.1468 6.269433 
-1.831268      8.881623 
1 1 1 -9  12 12 o 134.1171 5.645732 183.0726       15.39770  163.8015       
21.76867  202.3683       21.78261  126.4975 8.512014 140.7432 7.639430 
-14.24574      11.43745 
1 1 1 -9  12 13 o 187.8803 5.405995 359.3114       20.65420  359.6676       
35.82543  359.1341       25.27805  187.7619 9.382803 187.7814 6.619717 
-0.1957703E-01 11.48293 
1 1 1 -9  12 14 o 131.5201 6.797829 176.7370       18.11869  116.6943       
32.04852  204.9435       21.96605  105.4590 15.39811 141.5671 7.658726 
-36.10806      17.19761 
1 1 1 -9  12 15 o 204.5833 4.809988 426.1564       20.01085  385.4379       
28.09075  468.1088       28.51322  194.4036 7.105712 214.2896 6.543253 
-19.88597      9.659467 
1 1 1 -9  12 16 o 324.6737 5.369007 1074.075       35.44806  1124.222       
62.04728  1049.777       43.19057  331.4877 9.204577 320.8038 6.620610 
10.68393       11.33829 
1 1 1 -9  12 17 o 77.22530 10.89664 62.42902       16.63657  71.25017       
27.58199  57.38455       20.85792  81.21487 17.23430 73.23190 14.51912 
7.982971       22.53499 
1 1 1 -9  12 18 o 118.9289 7.887925 145.3166       18.96836  155.5599       
33.10252  140.3089       23.14506  121.8760 13.58776 116.5104 9.861385 
5.365646       16.78911 
1 1 1 -9  12 19 o 273.7540 5.588625 764.6310       31.11120  796.1566       
54.63026  749.4993       37.84815  278.3849 9.650197 270.7910 6.873199 
7.593872       11.84766 
1 1 1 -9  12 20 f 83.99032 14.31437 75.47197       23.57191  0.000000       
0.000000  75.47197       23.57191  ?        ?        83.99032 14.31437 
0.000000       14.31437 
1 1 1 -9  12 21 o 127.3741 8.548665 167.3632       22.01434  176.3076       
39.65648  163.3790       26.46698  128.7336 15.45761 125.3915 10.47564 
3.342041       18.67289 
1 1 1 -9  12 22 o 42.88369 16.64118 13.12942       20.76073  -7.047658      
36.53884  22.74859       25.22867  45.52790 20.10954 50.59838 18.62982 
-5.070484      27.41284 
1 1 1 -9  12 23 o 209.0517 6.872709 448.2452       29.21682  420.7491       
51.31417  461.4349       35.54010  200.0986 12.67627 211.6984 8.255619 
-11.59981      15.12756 
1 1 1 -9  12 24 o 161.8855 7.948600 270.6110       26.16677  167.7792       
45.53986  321.2948       31.97148  122.1130 18.95354 175.8122 8.972436 
-53.69914      20.97001 
1 1 1 -9  12 25 o 126.2046 8.506798 166.7057       21.70460  119.8472       
31.17464  210.7870       30.23672  103.6338 15.24861 140.8904 10.63195 
-37.25661      18.58920 
1 1 1 -9  12 26 o 61.36488 17.15440 44.97382       22.23878  28.20191       
39.36253  52.83731       26.95253  54.77302 22.35480 65.60635 19.06610 
-10.83332      29.38117 
1 1 1 -9  13 1  o 250.8708 3.843465 640.1212       19.60760  628.3730       
27.45622  652.3489       28.01075  248.5178 5.432901 253.2144 5.439825 
-4.696564      7.688180 
1 1 1 -9  13 2  o 289.9230 4.535090 855.0226       26.73745  925.7726       
50.00016  826.6893       31.64151  301.5318 8.154303 285.0508 5.458629 
16.48102       9.812711 
1 1 1 -9  13 3  o 510.7766 5.783451 2654.543       60.07164  2519.978       
101.5692  2726.936       74.49802  497.3087 10.04349 517.6037 7.077761 
-20.29501      12.28683 
1 1 1 -9  13 4  o 468.0616 5.482477 2228.953       52.18327  2117.952       
88.53442  2288.045       64.59664  455.9661 9.548346 474.1516 6.699482 
-18.18555      11.66422 
1 1 1 -9  13 5  o 304.5290 4.563280 943.3373       28.25903  921.1166       
49.99845  953.7676       34.25523  300.7771 8.174484 306.1779 5.501760 
-5.400787      9.853505 
1 1 1 -9  13 6  o 211.9156 4.486016 456.8022       19.33193  431.4801       
34.70967  468.1897       23.27638  205.8549 8.291593 214.5223 5.335702 
-8.667374      9.860032 
1 1 1 -9  13 7  o 481.5897 4.824434 2359.311       47.24707  2291.894       
65.39811  2432.915       68.33341  474.5478 6.776942 488.9228 6.872921 
-14.37500      9.652150 
1 1 1 -9  13 8  o 422.8170 5.283365 1818.792       45.42705  1834.424       
55.61081  1787.439       78.75491  424.5693 6.441088 418.9019 9.245147 
5.667358       11.26767 
1 1 1 -9  13 9  o 299.2287 4.109925 910.7354       25.00856  916.0287       
35.56761  905.5596       35.17062  300.0397 5.829410 298.3214 5.797544 
1.718231       8.221529 
1 1 1 -9  13 10 o 467.5503 5.611365 2224.425       53.35170  2190.885       
64.94943  2294.008       93.54975  463.9203 6.884629 474.4384 9.696419 
-10.51813      11.89196 
1 1 1 -9  13 11 o 451.8952 4.816378 2077.698       44.25982  2109.691       
63.39264  2047.270       61.82257  455.2082 6.848214 448.4293 6.779562 
6.778839       9.636415 
1 1 1 -9  13 12 o 408.8087 4.690068 1700.519       38.98977  1708.604       
55.75934  1692.784       54.54059  409.6229 6.693943 407.7327 6.577985 
1.890167       9.385029 
1 1 1 -9  13 13 o 283.6794 4.393105 818.8857       25.34257  778.6262       
35.65396  859.9955       36.02859  276.4987 6.341081 290.6056 6.096658 
-14.10690      8.796507 
1 1 1 -9  13 14 o 48.31066 14.18002 24.38357       14.84252  20.68282       
26.25238  26.12232       17.99461  50.88702 18.95236 50.54898 15.78174 
0.3380470      24.66283 
1 1 1 -9  13 15 f 428.9058 4.887876 1873.315       42.63178  1907.144       
60.97197  1840.958       59.63128  432.4261 6.933729 424.8622 6.901993 
7.563873       9.783359 
1 1 1 -9  13 16 o 86.46451 9.186797 77.35520       15.90557  89.56409       
19.63585  54.05830       27.12443  92.86777 10.58683 70.70165 18.61140 
22.16611       21.41179 
1 1 1 -9  13 17 o 110.6405 6.847947 125.4652       15.33154  122.2797       
21.17075  128.9782       22.23233  108.7879 9.670674 111.7105 9.888962 
-2.922600      13.83161 
1 1 1 -9  13 18 o 170.1596 5.328001 295.2505       18.43623  299.8376       
25.92352  290.5562       26.22463  171.2410 7.444488 168.5431 7.651508 
2.697922       10.67548 
1 1 1 -9  13 19 o 53.32109 13.62466 30.64209       14.82794  30.58040       
21.10409  30.70223       20.83818  54.16720 17.11764 54.18502 16.99376 
-0.1781845E-01 24.12057 
1 1 1 -9  13 20 o 122.9274 8.182258 155.6563       20.33693  101.0722       
34.65700  184.3229       25.11576  96.17252 18.39126 133.5746 9.304469 
-37.40208      20.61096 
1 1 1 -9  13 21 o 161.2891 6.413302 266.0575       21.03479  272.6640       
30.57616  260.1215       28.98311  162.5036 9.291266 158.7817 9.013365 
3.721909       12.94482 
1 1 1 -9  13 22 o 220.2535 5.725721 495.8015       25.64510  510.4165       
36.45745  481.4868       36.08078  222.9187 8.042447 216.4669 8.196587 
6.451828       11.48325 
1 1 1 -9  13 23 o 298.6832 5.332902 912.0858       32.39111  937.6085       
46.36508  887.7539       45.27043  302.0013 7.549717 293.8515 7.575919 
8.149872       10.69546 
1 1 1 -9  13 24 o 199.9132 8.782092 414.4791       35.70186  0.000000       
0.000000  414.4791       35.70186  ?        ?        199.9132 8.782092 
0.000000       8.782092 
1 1 1 -9  13 25 o 92.57644 10.76534 91.87585       19.88811  114.7072       
28.47597  70.13330       27.78870  101.8119 14.13535 77.28937 18.01369 
24.52254       22.89762 
1 1 1 -9  14 1  o 391.0893 5.074461 1556.071       40.35685  1666.815       
74.66864  1510.371       47.96636  404.5047 9.077436 385.2519 6.122666 
19.25281       10.94929 
1 1 1 -9  14 2  f 254.5728 4.491345 659.2324       23.25090  668.4149       
42.75622  655.3768       27.70558  256.2064 8.206499 253.8030 5.368081 
2.403366       9.806270 
1 1 1 -9  14 3  o 347.6828 4.054805 1229.539       28.66848  1210.085       
40.09704  1249.884       41.00490  344.8606 5.717647 350.4843 5.753283 
-5.623779      8.111211 
1 1 1 -9  14 4  o 467.0999 4.697796 2219.455       44.62266  2175.315       
62.20295  2266.255       64.04950  462.3244 6.616262 471.8853 6.674640 
-9.560944      9.398178 
1 1 1 -9  14 5  o 335.4209 4.689084 1144.471       31.98376  1096.792       
56.00219  1167.551       38.96328  328.1906 8.391266 338.7500 5.656199 
-10.55945      10.11958 
1 1 1 -9  14 6  o 318.5050 4.670760 1031.942       30.25207  1006.434       
53.76939  1043.756       36.59327  314.3806 8.410620 320.2899 5.618322 
-5.909302      10.11455 
1 1 1 -9  14 7  f 454.5624 4.679195 2101.904       43.25299  2105.776       
61.30909  2098.067       61.02979  454.8733 6.628008 454.0411 6.609907 
0.8321838      9.360628 
1 1 1 -9  14 8  o 214.2561 5.643395 467.0844       24.58811  467.0844       
24.58811  0.000000       0.000000  214.2561 5.643395 ?        ?        
0.000000       5.643395 
1 1 1 -9  14 9  o 265.9847 4.651793 719.7128       25.16104  723.4516       
31.29065  712.8726       42.32413  266.6375 5.770878 264.5906 7.866150 
2.046906       9.755991 
1 1 1 -9  14 10 o 445.5762 5.473577 2020.279       49.59577  2068.647       
62.06633  1934.839       82.49069  450.7835 6.770748 435.7245 9.309825 
15.05896       11.51155 
1 1 1 -9  14 11 o 294.5007 4.265648 882.3378       25.54599  918.9235       
36.75331  848.1420       35.53259  300.4621 6.015273 288.6565 6.053327 
11.80566       8.533831 
1 1 1 -9  14 12 o 237.6994 4.959052 574.9944       23.97056  607.1388       
41.39911  558.7828       29.40020  244.0549 8.341653 234.2674 6.171447 
9.787460       10.37641 
1 1 1 -9  14 13 o 44.10810 13.14097 20.16943       12.66949  24.10375       
18.52681  16.71332       17.36436  49.30325 16.08273 43.56487 15.53483 
5.738373       22.36035 
1 1 1 -9  14 14 o 95.05721 8.660861 93.01122       16.55791  65.63354       
30.91312  104.0258       19.60782  78.01960 19.52981 100.4227 9.723418 
-22.40309      21.81647 
1 1 1 -9  14 15 o 275.8617 4.501612 774.8237       25.25288  748.6191       
35.29252  802.3154       36.14879  270.9655 6.404971 280.5233 6.336849 
-9.557770      9.009956 
1 1 1 -9  14 16 o 163.6961 6.084489 273.2773       20.25414  288.8450       
25.04502  243.8503       34.43362  168.1809 7.323071 153.7097 11.09064 
14.47121       13.29021 
1 1 1 -9  14 17 o 305.9255 4.617770 953.5078       28.72760  931.3453       
39.83661  977.5208       41.46632  302.0550 6.485521 309.4325 6.589890 
-7.377441      9.246006 
1 1 1 -9  14 18 o 75.47481 9.848431 59.47266       14.75515  61.30209       
20.03114  57.30250       21.81690  75.84771 13.48103 72.89512 15.20967 
2.952591       20.32418 
1 1 1 -9  14 19 o 165.7637 5.797682 280.5116       19.54318  293.2775       
27.69991  267.8588       27.57697  169.1779 8.051618 161.4061 8.431117 
7.771805       11.65814 
1 1 1 -9  14 20 o 39.17283 15.27565 10.31968       17.55951  6.711886       
29.96381  12.20674       21.67056  46.05007 19.21636 43.07626 16.92039 
2.973816       25.60407 
1 1 1 -9  14 21 o 106.7066 8.563655 117.7446       18.42585  117.6338       
26.83368  117.8436       25.34608  105.5987 12.75434 105.9160 11.97840 
-0.3173065     17.49730 
1 1 1 -9  14 22 o 137.6848 7.322783 194.9801       20.42911  231.2054       
29.99050  163.6190       27.90441  149.2765 9.936400 125.1399 11.07997 
24.13655       14.88280 
1 1 1 -9  14 23 o 32.63382 14.30953 -3.123178      18.19243  -10.67512      
25.74410  4.409884       25.71190  36.39370 16.41754 41.78952 17.64138 
-5.395824      24.09884 
1 1 1 -9  14 24 o 128.0058 8.257067 170.3819       21.37885  206.4830       
31.16320  138.2860       29.38374  139.7879 11.05294 113.3968 12.97611 
26.39110       17.04544 
1 1 1 -9  14 25 o 152.2599 7.435147 240.7433       23.02112  217.8900       
32.78387  262.9741       32.33434  142.4666 11.41187 157.4339 10.15398 
-14.96729      15.27527 
1 1 1 -9  15 1  o 255.1396 4.615773 662.2183       23.94824  667.9337       
43.31378  659.7018       28.74088  256.0898 8.317299 254.6250 5.550696 
1.464798       9.999384 
1 1 1 -9  15 2  f 305.0137 3.920470 946.2679       24.31694  931.6146       
34.01451  961.5853       34.77686  302.5899 5.527877 307.4172 5.563020 
-4.827362      7.842488 
1 1 1 -9  15 3  o 294.0001 3.847208 879.1453       23.00089  850.5329       
32.03453  909.5918       33.04535  289.1280 5.448498 298.9982 5.434885 
-9.870209      7.695720 
1 1 1 -9  15 4  o 152.9553 3.947259 237.9579       12.27754  232.7891       
17.23216  243.2868       17.49700  151.2585 5.602330 154.6321 5.564325 
-3.373657      7.896063 
1 1 1 -9  15 5  o 154.5326 3.991554 242.8924       12.54335  237.5856       
17.44226  248.5764       18.05136  152.8089 5.613100 156.3022 5.679283 
-3.493256      7.985058 
1 1 1 -9  15 6  o 308.9148 4.661551 970.7505       29.28334  913.9120       
51.42797  998.0202       35.62202  299.5707 8.442062 313.1906 5.593175 
-13.61987      10.12680 
1 1 1 -9  15 7  f 800.3116 7.018854 6519.621       114.2291  6435.886       
159.5851  6607.598       163.5776  794.7234 9.874721 805.2347 9.989641 
-10.51129      14.04646 
1 1 1 -9  15 8  o 315.4987 4.107446 1012.488       26.35244  1020.387       
37.35074  1004.658       37.18576  316.6642 5.800278 314.2133 5.819701 
2.450928       8.216578 
1 1 1 -9  15 9  o 347.2434 6.048900 1227.149       42.71317  1227.149       
42.71317  0.000000       0.000000  347.2434 6.048900 ?        ?        
0.000000       6.048900 
1 1 1 -9  15 10 o 392.8623 6.443728 1571.152       51.47888  0.000000       
0.000000  1571.152       51.47888  ?        ?        392.8623 6.443728 
0.000000       6.443728 
1 1 1 -9  15 11 o 390.4661 4.528765 1551.250       35.95958  1563.475       
51.19954  1539.350       50.51639  391.8675 6.425034 388.8353 6.388740 
3.032135       9.060743 
1 1 1 -9  15 12 o 232.0265 4.925408 547.9118       23.23974  537.7486       
39.03648  553.4914       28.92392  229.6590 8.358644 233.1456 6.100683 
-3.486664      10.34820 
1 1 1 -9  15 13 o 105.5019 6.479897 113.8286       13.83481  107.2407       
19.51352  120.4870       19.61763  102.0387 9.513848 108.2769 8.990952 
-6.238228      13.09009 
1 1 1 -9  15 14 o 233.8296 4.519276 556.6105       21.48918  526.9236       
30.31184  586.6068       30.46934  227.3551 6.556260 239.9142 6.245333 
-12.55916      9.054763 
1 1 1 -9  15 15 o 353.0948 4.586550 1269.599       32.93282  1308.287       
47.31516  1233.244       45.86669  358.1598 6.496389 347.7377 6.486258 
10.42209       9.180120 
1 1 1 -9  15 16 o 150.6274 6.101845 231.4272       18.69031  231.2453       
22.64914  231.8156       33.09044  150.4552 7.402752 149.8407 10.93529 
0.6144867      13.20535 
1 1 1 -9  15 17 o 252.1274 4.693049 647.7426       24.06172  659.2903       
33.93285  636.0638       34.12479  254.1017 6.566913 249.5601 6.724244 
4.541641       9.398926 
1 1 1 -9  15 18 o 174.1428 6.209553 309.6573       21.98959  332.7664       
27.09241  265.0418       37.64426  180.3649 7.386594 159.8487 11.66124 
20.51616       13.80385 
1 1 1 -9  15 19 o 224.5193 5.032232 514.1668       22.97554  484.6135       
31.71796  546.7933       33.32632  217.6178 7.167363 231.1737 7.089205 
-13.55586      10.08107 
1 1 1 -9  15 20 o 224.3783 6.011159 514.4894       27.42777  486.2355       
46.31061  529.7545       34.04007  217.0138 10.49402 227.3966 7.361309 
-10.38283      12.81847 
1 1 1 -9  15 21 o 124.7727 7.590985 160.2459       19.16901  143.4069       
28.03594  175.0286       26.26844  116.9336 11.95855 129.8499 10.02576 
-12.91634      15.60522 
1 1 1 -9  15 22 f 71.39364 13.35781 54.99076       18.68019  87.68546       
26.99975  24.97056       25.87188  89.97083 15.30539 51.92852 18.90407 
38.04231       24.32322 
1 1 1 -9  15 23 o 134.0972 7.678051 185.7424       20.85034  185.5143       
29.52213  185.9694       29.45166  132.9242 11.02116 133.1040 10.97893 
-0.1797638     15.55644 
1 1 1 -9  15 24 f 46.41769 16.07795 22.06811       18.50478  -13.90916      
26.07726  58.56017       26.26316  35.23833 16.13916 71.24699 18.09325 
-36.00866      24.24538 
1 1 1 -9  15 25 o 52.78765 16.32225 31.91717       19.30087  28.83979       
28.12258  34.65741       26.53745  52.51292 19.60439 55.28723 19.24799 
-2.774315      27.47394 
1 1 1 -9  16 1  o 543.6468 6.122748 3008.005       67.68846  2927.510       
116.2203  3049.325       83.26875  535.7924 10.66680 547.2365 7.482653 
-11.44409      13.02961 
1 1 1 -9  16 2  o 519.9078 5.047016 2750.077       53.35959  2691.762       
74.05409  2813.046       76.95308  514.2109 7.082006 525.6570 7.198998 
-11.44611      10.09853 
1 1 1 -9  16 3  f 99.35442 4.848278 100.4239       9.795490  105.3347       
14.08129  95.81934       13.63530  101.4950 6.862877 96.77081 6.975753 
4.724159       9.785715 
1 1 1 -9  16 4  o 220.1693 3.707079 493.0300       16.59740  521.0643       
23.88858  466.8683       23.07698  226.3076 5.190866 214.2126 5.297642 
12.09499       7.416880 
1 1 1 -9  16 5  o 261.7574 3.808070 696.8914       20.27007  675.9544       
28.13550  719.4861       29.22814  257.7528 5.367843 265.9218 5.405002 
-8.168976      7.617597 
1 1 1 -9  16 6  f 457.7634 4.696462 2131.705       43.71831  2107.736       
61.42218  2156.317       62.23997  455.0658 6.637426 460.2794 6.649613 
-5.213654      9.395360 
1 1 1 -9  16 7  o 286.0516 4.677944 832.4122       27.21140  791.7001       
48.02951  851.6578       33.02261  278.8018 8.471517 289.3061 5.613095 
-10.50427      10.16235 
1 1 1 -9  16 8  o 199.9252 4.562825 406.6186       18.55038  424.2555       
23.40636  376.8301       30.41916  204.1865 5.637096 192.3656 7.776217 
11.82092       9.604499 
1 1 1 -9  16 9  o 318.8029 5.910673 1034.396       38.31869  1034.396       
38.31869  0.000000       0.000000  318.8029 5.910673 ?        ?        
0.000000       5.910673 
1 1 1 -9  16 10 o 441.7513 4.746601 1985.551       42.63948  1976.934       
60.10476  1994.283       60.49985  440.6379 6.707731 442.5657 6.722412 
-1.927795      9.496551 
1 1 1 -9  16 11 o 354.8715 4.417943 1281.349       31.88179  1248.079       
44.45411  1316.586       45.74909  350.1119 6.243865 359.5915 6.256359 
-9.479523      8.838998 
1 1 1 -9  16 12 o 46.41146 17.42924 16.49892       22.29250  16.49892       
22.29250  0.000000       0.000000  46.41146 17.42924 ?        ?        
0.000000       17.42924 
1 1 1 -9  16 13 o 183.1455 4.697941 341.4438       17.49666  323.4593       
24.39693  360.4894       25.10635  178.1477 6.734471 188.0800 6.564318 
-9.932251      9.404434 
1 1 1 -9  16 14 o 332.3564 4.501531 1124.599       30.42395  1143.113       
43.39660  1106.705       42.66467  334.8610 6.372939 329.4860 6.367662 
5.374969       9.008966 
1 1 1 -9  16 15 o 111.7294 6.302333 127.7198       14.26079  151.4726       
20.22633  104.2399       20.10978  121.4611 8.237658 100.3815 9.983963 
21.07962       12.94367 
1 1 1 -9  16 16 o 123.7947 6.976790 156.9994       17.49183  155.0562       
21.28466  161.0420       30.69981  122.7877 8.578232 124.4206 12.29450 
-1.632896      14.99135 
1 1 1 -9  16 17 o 105.1308 7.264332 113.5187       15.43495  108.9457       
21.39316  118.4837       22.29115  102.4311 10.41540 106.8690 10.38850 
-4.437958      14.71059 
1 1 1 -9  16 18 o 217.7597 5.710175 483.9628       25.28589  456.5041       
30.18903  548.5082       46.28517  211.2879 7.026244 230.9692 9.854539 
-19.68137      12.10289 
1 1 1 -9  16 19 f 102.6688 8.157313 108.7720       16.89050  126.4864       
23.16696  88.67112       24.67815  110.2754 10.45588 91.33436 13.71034 
18.94106       17.24236 
1 1 1 -9  16 20 f 120.3752 7.577828 149.1337       18.45486  128.2326       
26.06354  170.1494       26.13485  110.6080 11.76841 128.0295 10.12077 
-17.42155      15.52178 
1 1 1 -9  16 21 o 141.6389 6.964547 205.5289       20.05981  211.0362       
29.08637  200.5333       27.70196  142.5943 10.09608 139.0491 9.860903 
3.545197       14.11270 
1 1 1 -9  16 22 o 151.3425 6.817677 234.8355       20.98209  254.0449       
29.27148  214.5342       30.09184  156.6106 9.232027 143.5184 10.38078 
13.09218       13.89212 
1 1 1 -9  16 23 o 57.63781 15.41578 36.85460       18.42027  55.71848       
26.58535  19.43671       25.54610  70.07315 18.41571 48.36782 18.54224 
21.70533       26.13337 
1 1 1 -9  16 24 o 117.6371 10.21611 146.2617       24.19621  143.9886       
29.53684  150.8990       42.18854  115.4945 12.79103 114.6923 18.73578 
0.8021927      22.68568 
1 1 1 -9  16 25 o 44.38308 16.12536 20.02792       18.81167  15.20339       
26.55699  24.88656       26.65068  45.23431 18.40046 49.85273 18.97978 
-4.618420      26.43499 
1 1 1 -9  17 1  o 574.0058 6.246978 3353.761       72.91850  3479.441       
134.0478  3300.942       86.90062  583.9346 11.28870 569.3287 7.505996 
14.60583       13.55636 
1 1 1 -9  17 2  o 235.7869 3.862827 565.4989       18.52151  585.8988       
26.35069  545.5790       26.03883  239.9571 5.400166 231.5490 5.530025 
8.408066       7.729357 
1 1 1 -9  17 3  f 134.1435 4.204195 183.0437       11.46843  177.3350       
16.25745  188.6985       16.18045  132.0035 6.056414 136.1716 5.843226 
-4.168076      8.415667 
1 1 1 -9  17 4  f 276.7679 3.812908 779.1285       21.45970  773.9232       
30.21486  784.4269       30.48412  275.7925 5.387494 277.6573 5.398998 
-1.864777      7.627206 
1 1 1 -9  17 5  f 429.2570 4.511411 1874.451       39.38049  1839.901       
54.84538  1911.220       56.57997  425.1784 6.343331 433.3353 6.420772 
-8.156860      9.025749 
1 1 1 -9  17 6  f 436.7609 4.573924 1940.601       40.62414  1939.633       
57.30518  1941.579       57.59837  436.5388 6.455348 436.7555 6.485155 
-0.2167358     9.150341 
1 1 1 -9  17 7  o 193.7437 4.879308 381.8963       19.22371  412.6902       
36.92569  370.4472       22.51554  201.2527 9.022678 190.7929 5.803216 
10.45984       10.72782 
1 1 1 -9  17 8  o 245.2983 4.516445 612.1476       22.52905  637.3361       
28.47064  569.9571       36.84722  250.2564 5.594491 236.5688 7.659418 
13.68756       9.484989 
1 1 1 -9  17 9  o 557.9067 6.287070 3168.570       71.32821  3191.706       
86.94633  3120.951       124.7363  559.7809 7.638036 553.0020 11.09212 
6.778992       13.46754 
1 1 1 -9  17 10 o 457.0605 4.828734 2125.753       44.88057  2085.539       
62.62875  2168.204       64.34758  452.5400 6.805583 461.4159 6.857854 
-8.875854      9.661580 
1 1 1 -9  17 11 o 320.7749 4.862702 1047.191       31.71973  1004.821       
52.10737  1072.136       39.98093  313.9534 8.161736 324.4896 6.058997 
-10.53622      10.16491 
1 1 1 -9  17 12 o 244.6621 4.330622 609.1730       21.54609  584.2123       
30.12385  635.3176       30.82995  239.4866 6.185544 249.7502 6.070376 
-10.26361      8.666627 
1 1 1 -9  17 13 o 205.3492 4.515051 429.2568       18.85415  427.6980       
26.57612  430.8363       26.75235  204.8563 6.379562 205.6051 6.398479 
-0.7487946     9.035449 
1 1 1 -9  17 14 o 145.2198 5.309026 214.8462       15.67806  184.3842       
21.53063  249.2299       22.87460  134.1380 7.928426 156.2805 7.197759 
-22.14247      10.70830 
1 1 1 -9  17 15 o 211.3422 4.566436 454.9285       19.62524  468.0396       
27.82373  441.9474       27.68534  214.1894 6.388016 208.1164 6.541721 
6.072983       9.143351 
1 1 1 -9  17 16 o 217.5857 5.289367 482.6666       23.40375  488.8997       
28.71627  470.3365       40.38881  218.8431 6.452734 214.1945 9.272594 
4.648560       11.29685 
1 1 1 -9  17 17 o 60.66375 11.56338 39.17603       13.74405  30.78443       
18.94169  48.50664       19.97336  53.88760 16.07086 66.98723 15.03188 
-13.09963      22.00522 
1 1 1 -9  17 18 o 152.2745 6.632337 237.0219       20.53739  227.2366       
24.60282  259.5122       37.29881  148.6754 8.168887 158.0441 11.68845 
-9.368698      14.26010 
1 1 1 -9  17 19 o 164.8578 5.562851 277.5097       18.64912  304.8191       
26.53837  250.8673       26.21233  172.4698 7.566755 156.1299 8.285626 
16.33989       11.22085 
1 1 1 -9  17 20 o 193.0113 5.587199 380.5663       21.92949  416.3834       
32.26900  349.8294       29.89305  201.4232 7.878157 184.6066 7.962904 
16.81657       11.20148 
1 1 1 -9  17 21 o 222.2558 5.497693 504.7305       24.84763  496.0196       
34.86330  513.7233       35.42310  219.7851 7.800437 223.6765 7.787803 
-3.891388      11.02255 
1 1 1 -9  17 22 o 96.23724 9.879608 96.86111       19.06026  82.49141       
26.21356  112.9806       27.76374  87.01115 15.37737 102.8198 13.61326 
-15.80866      20.53739 
1 1 1 -9  17 23 f 131.5431 7.860373 179.1986       20.93009  185.4704       
29.97277  173.2297       29.24006  132.6060 11.22034 128.0746 11.34438 
4.531326       15.95591 
1 1 1 -9  17 24 o 30.40531 14.06449 -13.96234      20.50756  -24.81398      
24.84549  9.234797       36.32595  31.17663 14.75686 48.59746 20.75874 
-17.42082      25.46940 
1 1 1 -9  17 25 o 74.15577 13.43361 61.95174       19.51177  101.6320       
28.60017  27.40338       26.68671  94.08954 15.48669 50.90422 19.07894 
43.18532       24.57323 
1 1 1 -9  18 1  o 277.9703 8.832085 787.5207       49.92443  787.5207       
49.92443  0.000000       0.000000  277.9703 8.832085 ?        ?        
0.000000       8.832085 
1 1 1 -9  18 2  o 199.3676 4.250880 404.3490       17.23395  406.5479       
22.20134  401.0150       27.33742  199.8751 5.462218 198.4646 6.773654 
1.410522       8.701621 
1 1 1 -9  18 3  o 128.7855 4.321800 168.7245       11.31835  178.9744       
16.07571  158.6492       15.93829  132.6089 5.961370 124.6857 6.306487 
7.923195       8.678117 
1 1 1 -9  18 4  o 595.0060 5.542079 3602.649       67.05721  3554.862       
93.80669  3652.586       95.89421  590.8071 7.807943 598.8646 7.874307 
-8.057434      11.08912 
1 1 1 -9  18 5  o 27.92404 10.61082 5.535135       8.319598  13.84424       
11.44582  -3.772365      12.11396  37.93853 12.65398 26.27804 11.59434 
11.66050       17.16251 
1 1 1 -9  18 6  o 306.0688 3.998918 952.9031       24.88932  958.9362       
34.89952  946.6585       35.50593  306.9724 5.590732 304.9946 5.724761 
1.977783       8.001822 
1 1 1 -9  18 7  o 234.5230 5.589921 559.7288       26.65892  508.9849       
40.36142  598.9990       35.50634  223.4888 8.880944 242.5397 7.198989 
-19.05090      11.43226 
1 1 1 -9  18 8  o 128.3803 5.383425 167.7256       14.05428  155.1597       
17.45817  190.8651       23.69074  123.2427 6.994869 136.5907 8.572618 
-13.34806      11.06427 
1 1 1 -9  18 9  o 564.6038 6.296964 3245.482       72.29803  3224.427       
87.69663  3290.152       127.7368  562.5917 7.665459 567.6993 11.06487 
-5.107605      13.46070 
1 1 1 -9  18 10 o 420.9540 4.649318 1803.189       39.79929  1812.415       
56.49920  1794.101       56.07261  421.8583 6.586038 419.7231 6.569562 
2.135193       9.302421 
1 1 1 -9  18 11 o 320.0462 4.889652 1042.555       31.82307  1038.112       
53.07942  1045.048       39.76158  319.0650 8.180797 320.3356 6.103894 
-1.270599      10.20701 
1 1 1 -9  18 12 o 423.2237 4.720709 1823.339       40.62830  1893.849       
58.89561  1759.321       56.11906  431.0718 6.718648 415.4905 6.641984 
15.58127       9.447550 
1 1 1 -9  18 13 o 75.83726 8.617400 59.49862       13.05358  46.56553       
18.40370  72.59276       18.51794  66.03050 14.13271 83.43897 11.19615 
-17.40847      18.03018 
1 1 1 -9  18 14 o 83.13926 7.842930 71.22525       13.10309  90.21219       
18.73237  53.03502       18.33515  93.31480 10.02906 70.64646 13.24943 
22.66834       16.61715 
1 1 1 -9  18 15 o 145.3861 5.309079 215.4522       15.69617  228.6202       
22.11359  202.0818       22.28284  149.6002 7.269017 140.3815 7.836937 
9.218735       10.68907 
1 1 1 -9  18 16 o 67.45949 11.36576 48.11187       15.03744  55.04908       
18.55980  34.85640       25.65538  71.87239 13.18459 58.23225 18.92216 
13.64014       23.06256 
1 1 1 -9  18 17 o 116.2798 6.611209 138.6004       15.56822  121.7643       
21.64852  156.6330       22.40452  108.3875 9.932417 123.2302 9.002914 
-14.84273      13.40542 
1 1 1 -9  18 18 o 309.7310 5.500179 979.1846       34.64279  997.3515       
42.29219  942.1376       60.39449  312.3113 6.659185 302.5462 9.816444 
9.765106       11.86201 
1 1 1 -9  18 19 o 132.2241 6.592809 178.8731       17.72689  174.5906       
25.04144  183.1750       25.09788  129.8539 9.550176 133.0772 9.333377 
-3.223312      13.35357 
1 1 1 -9  18 20 o 119.0109 7.578747 145.8803       18.24607  132.3902       
25.48577  160.0656       26.13414  112.4569 11.29726 123.9906 10.46270 
-11.53371      15.39793 
1 1 1 -9  18 21 o 203.0870 5.719059 421.6937       23.61881  429.1388       
33.20536  414.0695       33.60228  204.3338 7.991282 200.6472 8.235388 
3.686600       11.47529 
1 1 1 -9  18 22 o 48.00323 16.59903 22.96001       19.71967  -20.02644      
24.14299  109.1163       34.17974  32.32270 15.05674 99.32873 17.56418 
-67.00603      23.13452 
1 1 1 -9  18 23 o 118.0787 8.197592 144.9100       19.56185  149.1793       
27.95007  140.8108       27.38776  118.4861 11.75532 115.0333 11.87900 
3.452827       16.71222 
1 1 1 -9  18 24 o 41.10795 16.43393 12.02135       20.78255  18.04184       
25.56035  0.2772955      35.69934  46.62425 18.35644 45.20663 19.92698 
1.417625       27.09324 
1 1 1 -9  18 25 o 57.32472 15.61932 38.68456       18.70347  23.26718       
27.22399  52.46669       25.73977  48.75521 19.01816 65.35246 18.52122 
-16.59725      26.54668 
1 1 1 -9  19 1  o 561.8716 5.375087 3213.078       61.41494  3104.212       
122.2431  3249.834       71.02988  551.4305 10.90139 564.9868 6.182317 
-13.55634      12.53242 
1 1 1 -9  19 2  o 235.0542 4.250763 562.0895       20.31825  535.9304       
25.59540  606.6606       33.41010  229.4759 5.484959 244.0908 6.730928 
-14.61490      8.682751 
1 1 1 -9  19 3  o 126.8926 4.681286 163.8255       12.07961  169.4803       
16.01407  156.3605       18.39958  129.0342 6.103029 123.6908 7.348091 
5.343468       9.552036 
1 1 1 -9  19 4  f 314.6472 4.448447 1007.214       28.46320  985.3448       
35.40075  1047.204       47.87018  311.1598 5.594710 320.6718 7.340960 
-9.512024      9.229869 
1 1 1 -9  19 5  f 197.3572 4.221257 396.2364       16.94128  380.6958       
21.38257  422.4413       27.76623  193.4150 5.436489 203.6978 6.703155 
-10.28282      8.630625 
1 1 1 -9  19 6  o 459.6511 5.367897 2150.068       50.17459  2211.780       
63.39490  2046.594       82.08932  466.0900 6.688568 448.1037 9.008587 
17.98627       11.22014 
1 1 1 -9  19 7  o 241.7875 5.651352 595.0065       27.78675  582.5399       
43.33652  603.7099       36.20960  239.0641 8.914320 243.4677 7.313596 
-4.403564      11.53056 
1 1 1 -9  19 8  o 73.31742 7.440176 55.31804       10.93916  35.55864       
14.90027  78.41965       16.11121  57.84276 12.98582 87.21487 9.224170 
-29.37212      15.92849 
1 1 1 -9  19 9  o 214.9296 4.841925 470.0967       21.16245  463.2840       
25.33838  485.8089       38.48022  213.3249 5.840982 218.2853 8.668853 
-4.960464      10.45304 
1 1 1 -9  19 10 o 256.6241 4.176769 670.0854       21.79663  636.3308       
30.34624  706.0580       31.32735  249.9830 5.969570 263.3309 5.850196 
-13.34795      8.358263 
1 1 1 -9  19 11 o 286.1397 4.796317 833.4189       27.90856  847.2465       
46.93511  825.8557       34.71184  288.2159 8.008083 284.7489 5.994654 
3.466919       10.00326 
1 1 1 -9  19 12 o 65.52242 9.480135 44.77486       12.26439  55.17009       
17.59520  34.95177       17.10414  72.34770 12.40620 57.19687 14.64288 
15.15084       19.19187 
1 1 1 -9  19 13 o 28.20512 11.89970 0.7784800      11.68766  -18.73304      
16.75952  19.25157       16.30744  25.89446 12.21476 44.68811 15.10360 
-18.79365      19.42470 
1 1 1 -9  19 14 f 304.7244 4.435685 945.6565       27.48649  942.6956       
38.76991  948.6486       38.97443  304.0034 6.271407 304.9597 6.284719 
-0.9562988     8.878528 
1 1 1 -9  19 15 o 109.6189 6.439322 123.0771       14.29110  99.41479       
19.42360  151.0051       21.10190  97.94398 9.887497 121.1403 8.622355 
-23.19627      13.11898 
1 1 1 -9  19 16 f 109.6863 7.641401 123.6828       16.93774  121.9727       
21.05357  126.8205       28.51743  108.5707 9.636045 109.9623 13.00494 
-1.391563      16.18585 
1 1 1 -9  19 17 o 165.7021 5.388214 280.1484       18.15617  318.9722       
25.80303  242.0757       25.55221  176.5729 7.186133 153.4646 8.217660 
23.10831       10.91652 
1 1 1 -9  19 18 o 77.31685 9.695968 62.47389       14.90936  84.64416       
20.52460  37.70534       21.69399  89.75005 11.51104 59.04414 17.08990 
30.70591       20.60506 
1 1 1 -9  19 19 f 130.7980 6.896477 175.6724       18.27856  181.6927       
26.52274  170.2266       25.22560  132.3424 9.927592 128.1197 9.755518 
4.222778       13.91859 
1 1 1 -9  19 20 o 177.8705 5.898362 323.5127       21.33471  329.6418       
30.70707  317.7930       29.66365  179.0195 8.435029 175.8054 8.297379 
3.214127       11.83200 
1 1 1 -9  19 21 o 116.7998 7.819837 140.8329       18.46610  152.7595       
26.63568  129.7953       25.62373  120.8170 10.96068 111.1245 11.50586 
9.692444       15.89091 
1 1 1 -9  19 22 o 74.56799 14.52784 60.88819       21.23756  60.94044       
27.20006  60.80658       33.99141  73.44297 18.28360 72.81763 21.48331 
0.6253357      28.21033 
1 1 1 -9  19 23 o 114.4846 8.425332 136.6189       19.47704  150.5616       
28.80589  124.8762       26.43587  118.7231 12.10064 107.9555 12.25936 
10.76762       17.22548 
1 1 1 -9  19 24 o 136.4976 9.269464 196.6109       25.57700  198.7479       
31.53669  192.5037       43.72036  135.9156 11.51861 129.7531 16.97686 
6.162491       20.51566 
1 1 1 -9  19 25 o 66.68071 14.36257 51.52868       18.90006  36.87268       
27.52218  64.60848       26.00014  55.50979 19.58292 72.74344 17.73643 
-17.23365      26.42104 
1 1 1 -9  20 1  o 453.5232 5.470348 2093.675       50.45055  1976.688       
86.87175  2153.209       61.97219  440.1393 9.705926 459.8051 6.627834 
-19.66583      11.75301 
1 1 1 -9  20 2  o 172.2800 3.988774 301.9484       13.97416  296.5161       
19.53771  307.6380       19.99512  170.6762 5.629235 173.8467 5.655956 
-3.170532      7.979857 
1 1 1 -9  20 3  o 456.1615 5.295577 2117.699       49.12283  2078.394       
60.28165  2195.388       84.75040  451.7956 6.561327 464.0474 8.981067 
-12.25180      11.12253 
1 1 1 -9  20 4  f 197.1996 4.168694 395.6202       16.71697  379.9290       
21.22507  421.2566       27.12998  193.2124 5.402101 203.4041 6.559013 
-10.19170      8.497255 
1 1 1 -9  20 5  f 374.9526 4.787704 1430.528       36.50523  1422.237       
45.43562  1445.628       61.31493  373.7870 5.977518 376.6755 8.004744 
-2.888580      9.990327 
1 1 1 -9  20 6  o 469.2809 5.436576 2241.356       51.88117  2263.418       
64.74829  2201.787       86.71479  471.4598 6.753551 464.7012 9.176308 
6.758667       11.39364 
1 1 1 -9  20 7  o 144.5274 4.846533 212.5562       14.24403  222.7025       
17.88120  194.9380       23.56268  147.9065 5.945086 138.0386 8.434540 
9.867844       10.31918 
1 1 1 -9  20 8  o 446.2339 4.709862 2026.297       42.73878  1996.013       
60.19489  2057.083       60.69171  442.7022 6.686464 449.4286 6.640751 
-6.726440      9.423820 
1 1 1 -9  20 9  o 242.0071 4.132764 595.9094       20.33856  623.8945       
29.12722  569.2814       28.41225  247.5418 5.786275 236.4524 5.908952 
11.08936       8.270229 
1 1 1 -9  20 10 f 109.1255 6.490487 121.7442       14.33810  125.0428       
23.16612  119.6960       18.25464  110.1273 10.47043 108.0023 8.377226 
2.124985       13.40924 
1 1 1 -9  20 11 o 465.6761 4.957636 2207.847       46.94724  2339.597       
69.61755  2097.959       63.57938  479.0249 7.146760 453.6575 6.891865 
25.36737       9.928443 
1 1 1 -9  20 12 f 207.6816 4.406522 439.0947       18.60995  439.6305       
26.21439  438.5503       26.42376  207.6811 6.207138 207.4210 6.264558 
0.2600403      8.818913 
1 1 1 -9  20 13 o 315.0889 4.383424 1010.930       28.08652  985.4874       
39.03428  1038.242       40.44390  310.8758 6.174585 319.0794 6.233081 
-8.203644      8.773643 
1 1 1 -9  20 14 o 200.5512 4.641313 409.7319       18.92856  440.0515       
27.21714  381.3300       26.34233  207.6556 6.445364 193.2759 6.702320 
14.37973       9.298592 
1 1 1 -9  20 15 o 112.3127 6.200627 129.1459       14.10686  119.0123       
19.62781  139.9734       20.28882  107.3672 9.074763 116.5795 8.619327 
-9.212234      12.51575 
1 1 1 -9  20 16 o 192.2560 5.533717 377.1343       21.63457  374.9037       
26.22771  381.8835       38.26988  191.5263 6.734115 192.5046 9.808589 
-0.9782715     11.89776 
1 1 1 -9  20 17 o 98.93803 7.291386 100.7330       14.56644  100.8410       
20.72743  100.6276       20.47501  98.36201 10.52592 98.28338 10.40266 
0.7863617E-01  14.79900 
1 1 1 -9  20 18 o 167.7604 5.474468 287.3752       18.67595  325.0038       
26.88908  252.3046       25.95903  178.0885 7.424866 156.5737 8.181417 
21.51480       11.04827 
1 1 1 -9  20 19 o 55.45305 15.44019 33.42507       18.05385  48.48519       
30.48143  25.28696       22.40697  66.54834 20.50131 50.82416 17.68714 
15.72418       27.07653 
1 1 1 -9  20 20 o 205.6844 5.587594 432.4378       23.37102  440.7671       
33.90092  424.8938       32.26310  207.0684 8.050932 203.3734 7.801186 
3.695053       11.21053 
1 1 1 -9  20 21 o 105.3225 8.715942 115.1548       18.49978  141.1960       
27.62946  93.99253       24.90709  115.7385 11.90930 93.70199 13.45768 
22.03655       17.97055 
1 1 1 -9  20 22 o 111.9751 9.585257 131.0895       21.61575  122.7252       
27.73321  144.0350       34.50213  107.0945 13.00107 115.1965 15.09135 
-8.102043      19.91925 
1 1 1 -9  20 23 o 44.83055 15.61938 20.41720       17.47655  9.431628       
25.37848  30.32549       24.10203  42.99480 17.79144 53.22364 18.35402 
-10.22884      25.56180 
1 1 1 -9  20 24 o 80.60106 14.17557 73.23400       22.38622  47.00745       
27.22395  127.9975       39.33925  62.41093 19.39946 103.2022 19.45863 
-40.79131      27.47685 
1 1 1 -9  20 25 o 44.47018 16.74710 20.29103       20.60976  36.47464       
34.65363  11.43382       25.63655  55.78667 21.54132 42.29641 17.72244 
13.49026       27.89468 
1 1 1 -9  21 1  o 414.4067 4.482903 1747.599       37.77787  1656.236       
77.28445  1776.283       43.30404  402.8462 9.434119 417.7421 5.097635 
-14.89584      10.72327 
1 1 1 -9  21 2  o 151.0868 5.068033 232.3318       15.57103  235.2545       
33.69395  231.5381       17.55844  151.3565 11.02285 150.8077 5.725470 
0.5487823      12.42112 
1 1 1 -9  21 3  o 289.2319 3.867454 851.0494       22.74693  806.8489       
31.29928  900.5283       33.11552  281.5429 5.466864 297.4380 5.474994 
-15.89511      7.737064 
1 1 1 -9  21 4  o 357.5432 4.664366 1300.827       33.91349  1319.876       
42.96949  1269.358       55.22675  360.0693 5.868439 352.9537 7.694498 
7.115631       9.676976 
1 1 1 -9  21 5  o 355.2920 4.685250 1284.504       33.85085  1317.042       
43.09349  1232.077       54.70097  359.6812 5.891725 347.7289 7.735756 
11.95230       9.723906 
1 1 1 -9  21 6  o 226.6309 3.871746 522.5154       17.84339  556.5711       
25.45070  489.5935       25.02345  233.8411 5.352141 219.3086 5.610998 
14.53250       7.754271 
1 1 1 -9  21 7  o 253.5239 3.929545 653.9099       20.25875  624.1827       
28.00327  686.5520       29.34413  247.6202 5.561233 259.6973 5.556513 
-12.07706      7.861434 
1 1 1 -9  21 8  o 408.2155 5.272901 1696.288       43.77140  1646.004       
76.87657  1720.410       53.24472  401.6152 9.413095 410.9991 6.370658 
-9.383942      11.36625 
1 1 1 -9  21 9  o 282.6470 4.105482 812.9153       23.59717  776.8003       
32.72066  852.0535       34.06264  276.1892 5.825913 289.2607 5.790785 
-13.07153      8.214284 
1 1 1 -9  21 10 o 140.8567 5.503867 202.0528       15.76510  212.5699       
25.44160  195.4973       20.08622  144.0423 8.726837 138.2925 7.167051 
5.749802       11.29267 
1 1 1 -9  21 11 o 134.8522 5.145795 185.1977       14.11114  181.4661       
19.73723  189.0997       20.18255  133.1784 7.315914 135.9576 7.327017 
-2.779221      10.35412 
1 1 1 -9  21 12 o 161.1201 4.759752 264.3763       15.59500  271.9914       
21.94491  256.6069       22.16608  163.3019 6.608323 158.5962 6.872977 
4.705719       9.534554 
1 1 1 -9  21 13 o 234.2195 4.357367 558.6661       20.75385  564.6598       
29.18950  552.5385       29.51394  235.2947 6.100467 232.7394 6.235995 
2.555298       8.723722 
1 1 1 -9  21 14 o 192.0377 4.627484 375.7384       18.07102  375.1781       
25.13147  376.3383       26.00340  191.7096 6.446480 191.9801 6.660741 
-0.2704620     9.269443 
1 1 1 -9  21 15 o 311.4706 4.489578 988.5730       28.43636  991.9753       
40.31847  985.2053       40.11250  311.6620 6.361635 310.5990 6.350796 
1.063049       8.989049 
1 1 1 -9  21 16 o 191.3450 5.503612 373.6341       21.41491  360.4370       
25.88494  402.2589       38.12226  187.7579 6.779498 197.8302 9.476213 
-10.07227      11.65162 
1 1 1 -9  21 17 f 131.9520 6.216338 177.9545       16.68023  176.2962       
23.29342  179.6998       23.89698  130.7071 8.815095 131.9359 8.960052 
-1.228790      12.56935 
1 1 1 -9  21 18 o 41.66598 14.11554 17.04759       14.24393  20.63442       
19.13851  12.59372       21.32659  46.53271 16.33770 42.96373 16.81224 
3.568989       23.44295 
1 1 1 -9  21 19 f 70.51871 13.08748 53.52758       18.07675  75.49693       
31.14828  42.37064       22.19719  82.23706 19.00681 62.05727 17.06016 
20.17979       25.54032 
1 1 1 -9  21 20 o 80.75321 10.28934 68.57232       16.51268  77.86567       
23.35394  59.28133       23.35098  85.04436 13.99066 73.37671 16.09228 
11.66766       21.32370 
1 1 1 -9  21 21 o 55.25620 14.98413 33.53598       17.26151  -0.9869204     
24.37116  68.28818       24.45197  38.70061 16.77120 78.75002 15.81824 
-40.04941      23.05406 
1 1 1 -9  21 22 o 74.73988 13.78615 61.12288       20.18108  50.17635       
25.90442  78.02540       32.18929  66.35800 18.50158 82.28855 19.52936 
-15.93055      26.90176 
1 1 1 -9  21 23 o 108.8972 8.831783 124.4506       19.38917  99.39043       
27.99218  147.5629       26.88233  94.44678 15.08204 117.4748 11.39643 
-23.02802      18.90362 
1 1 1 -9  21 24 o 117.6905 9.118154 146.9830       21.65194  150.0526       
30.63617  143.9196       30.60480  116.3599 13.17974 113.7108 13.49905 
2.649094       18.86610 
1 1 1 -9  22 1  f 221.6835 4.627892 500.1830       20.86259  515.2887       
42.03369  495.2455       24.03153  224.6700 9.200280 220.5485 5.358285 
4.121429       10.64690 
1 1 1 -9  22 2  o 210.8172 3.941443 452.1982       16.89712  392.7683       
37.15863  467.6906       18.97210  196.1704 9.314829 214.3821 4.351865 
-18.21170      10.28128 
1 1 1 -9  22 3  o 95.45543 4.983904 92.99363       9.640788  92.64249       
14.18324  93.29521       13.14424  95.06021 7.395318 95.45556 6.816289 
-0.3953476     10.05746 
1 1 1 -9  22 4  o 172.1166 3.840656 301.3887       13.44249  292.4601       
18.95364  310.4254       19.06797  169.4947 5.499017 174.6280 5.369564 
-5.133301      7.685792 
1 1 1 -9  22 5  o 473.9553 4.763055 2286.099       45.90652  2258.593       
64.35515  2314.594       65.50335  470.8813 6.720791 476.6786 6.757506 
-5.797241      9.530630 
1 1 1 -9  22 6  o 476.0410 4.800371 2306.344       46.46978  2323.358       
66.17770  2289.795       65.26812  477.5628 6.814434 474.1068 6.769764 
3.456024       9.605531 
1 1 1 -9  22 7  o 241.4332 3.901809 593.0649       19.15643  618.0411       
27.38533  569.1334       26.80650  246.3864 5.465750 236.4306 5.575515 
9.955795       7.807740 
1 1 1 -9  22 8  f 284.2250 4.818813 822.2756       27.85184  755.4290       
49.99313  852.3608       33.53879  272.0561 9.036503 289.3152 5.700654 
-17.25909      10.68437 
1 1 1 -9  22 9  o 157.6502 8.022676 254.1989       25.63471  254.1989       
25.63471  0.000000       0.000000  157.6502 8.022676 ?        ?        
0.000000       8.022676 
1 1 1 -9  22 10 o 139.4152 5.462127 197.9733       15.48543  191.2064       
24.20349  202.6631       20.14915  136.5455 8.762908 140.9755 7.028484 
-4.429932      11.23335 
1 1 1 -9  22 11 o 59.85970 9.740149 37.59664       11.44869  57.56494       
15.73202  15.11591       16.69241  74.20281 10.73808 41.95459 15.19803 
32.24823       18.60878 
1 1 1 -9  22 12 o 144.5607 4.969820 212.8968       14.60973  201.3500       
20.31438  225.2673       21.02657  140.2599 7.145954 148.5621 6.959995 
-8.302231      9.975279 
1 1 1 -9  22 13 o 274.8604 4.312015 769.4505       24.10149  779.0914       
34.11432  759.8431       34.05507  276.3477 6.070570 272.9026 6.136526 
3.445068       8.631846 
1 1 1 -9  22 14 o 116.6054 5.988168 139.1245       14.15131  153.6645       
20.08177  124.7820       19.94488  122.2525 8.124040 109.9611 8.998322 
12.29138       12.12311 
1 1 1 -9  22 15 o 40.40991 13.09397 16.46295       12.28987  3.993631       
17.63209  28.24512       17.13938  35.79161 14.82171 51.57729 15.26566 
-15.78568      21.27730 
1 1 1 -9  22 16 o 132.1404 6.657168 178.9974       17.83119  170.1561       
21.47388  198.6314       32.00039  128.5416 8.258866 138.1453 11.49553 
-9.603699      14.15472 
1 1 1 -9  22 17 o 242.5303 5.489678 600.6550       27.07474  607.1750       
33.16023  587.6165       46.89317  243.5880 6.694377 238.8106 9.656162 
4.777405       11.74973 
1 1 1 -9  22 18 o 148.5504 5.831283 225.5923       17.61527  225.9765       
24.92374  225.2090       24.89979  148.0387 8.312803 147.7847 8.319265 
0.2540436      11.76065 
1 1 1 -9  22 19 o 53.18933 15.46648 30.64451       17.73155  -7.394569      
29.54671  52.05479       22.16692  40.49483 17.97496 68.71181 16.13907 
-28.21698      24.15717 
1 1 1 -9  22 20 o 68.06244 12.29813 49.79631       16.39505  30.26065       
22.84654  70.53814       23.54127  53.85594 17.87372 80.48634 14.93305 
-26.63040      23.29090 
1 1 1 -9  22 21 o 61.01006 14.07081 40.92527       17.10073  38.50451       
24.80759  43.11708       23.60536  59.21952 18.53677 62.14106 17.78051 
-2.921532      25.68577 
1 1 1 -9  22 22 o 199.4086 6.787632 409.3814       27.52412  392.7462       
34.73513  437.4522       45.12140  194.5040 8.781910 203.8693 10.92349 
-9.365341      14.01587 
1 1 1 -9  22 23 o 88.71671 10.49041 84.24265       18.55923  99.52341       
26.96042  70.47925       25.58685  94.54187 14.48489 78.22301 16.59918 
16.31886       22.03054 
1 1 1 -9  22 24 o 70.30975 18.18462 60.57405       26.19462  60.57405       
26.19462  0.000000       0.000000  70.30975 18.18462 ?        ?        
0.000000       18.18462 
1 1 1 -9  23 1  o 107.5553 5.110115 117.7868       11.17670  82.29659       
29.47802  123.7454       12.07857  87.82452 17.12076 110.2335 5.388281 
-22.40903      17.94865 
1 1 1 -9  23 2  o 157.8472 4.886395 253.6360       15.68473  238.8058       
32.96726  257.9750       17.83224  152.4517 10.70188 159.1661 5.509396 
-6.714401      12.03676 
1 1 1 -9  23 3  o 273.9979 3.781804 763.8514       21.07161  776.9690       
30.05165  751.1647       29.55410  276.2473 5.349569 271.6212 5.350602 
4.626099       7.566164 
1 1 1 -9  23 4  o 252.4050 3.752451 648.1833       19.26036  673.4352       
27.62223  624.2883       26.86988  257.1932 5.281385 247.6272 5.336000 
9.565964       7.507724 
1 1 1 -9  23 5  o 172.8273 3.874468 303.9097       13.61683  300.3450       
19.08173  307.6085       19.43740  171.7524 5.463405 173.8153 5.499190 
-2.062851      7.751766 
1 1 1 -9  23 6  o 385.0248 4.301460 1508.604       33.67875  1476.354       
46.94143  1542.815       48.34759  380.7244 6.063092 389.1947 6.108809 
-8.470245      8.606894 
1 1 1 -9  23 7  o 70.50829 6.901917 51.14854       9.769139  61.51391       
13.39467  39.36935       14.27899  77.15548 8.688375 60.97571 11.94295 
16.17977       14.76895 
1 1 1 -9  23 8  o 154.7851 5.384197 243.9784       16.94734  217.8020       
31.91077  254.2620       20.00115  145.5041 10.86309 157.9724 6.226190 
-12.46826      12.52087 
1 1 1 -9  23 9  o 96.06889 6.579135 94.51841       12.77556  100.3403       
19.94090  90.46498       16.63883  98.53761 10.09403 93.69880 8.836844 
4.838806       13.41563 
1 1 1 -9  23 10 o 165.5840 5.199117 279.2811       17.50650  279.7097       
21.29320  278.3871       30.75358  165.6396 6.321575 164.7478 9.216578 
0.8918152      11.17621 
1 1 1 -9  23 11 o 66.14840 8.834569 45.53438       11.58684  50.61989       
15.96695  39.87722       16.84046  69.26319 11.75656 60.99178 13.88885 
8.271408       18.19661 
1 1 1 -9  23 12 o 149.6869 4.897682 228.2966       14.90822  239.9039       
21.06773  216.6546       21.09912  153.3000 6.758092 145.6503 7.123633 
7.649673       9.819264 
1 1 1 -9  23 13 o 91.22107 6.824678 85.47009       12.56813  88.57690       
17.37729  82.06244       18.19922  92.47025 9.370607 88.79967 10.26772 
3.670578       13.90087 
1 1 1 -9  23 14 o 149.5312 5.062790 228.0007       15.39477  234.6519       
21.92025  221.5269       21.62573  151.4843 7.115844 147.1738 7.225851 
4.310501       10.14141 
1 1 1 -9  23 15 o 118.2527 6.949649 143.5235       16.63843  164.6540       
30.59423  134.6492       19.82682  125.5549 12.13395 114.2374 8.597850 
11.31752       14.87130 
1 1 1 -9  23 16 o 178.5017 5.735231 325.4371       20.81827  321.8440       
25.40000  332.7911       36.33764  177.3105 7.044462 179.4176 9.999311 
-2.107086      12.23154 
1 1 1 -9  23 17 f 99.43285 9.015164 102.5768       18.03048  130.8604       
22.51516  52.00898       30.10541  112.1744 9.974360 68.63361 20.20929 
43.54076       22.53671 
1 1 1 -9  23 18 o 97.86826 7.801195 98.99702       15.39685  110.0974       
22.22137  88.74688       21.35343  102.5097 10.82359 91.67236 11.72303 
10.83733       15.95555 
1 1 1 -9  23 19 f 131.2505 7.765880 177.6866       20.63509  203.4433       
34.05497  162.7433       25.93929  139.0944 12.16207 124.9064 10.30424 
14.18797       15.94031 
1 1 1 -9  23 20 o 192.7576 5.686395 380.2044       22.28948  382.8794       
31.05775  377.3632       32.00789  192.8589 7.919158 191.3722 8.224826 
1.486649       11.41757 
1 1 1 -9  23 21 o 86.35393 10.88824 79.02979       18.69510  63.39893       
26.64991  94.17514       26.23275  74.88550 17.76790 93.12189 14.31087 
-18.23640      22.81446 
1 1 1 -9  23 22 o 80.35853 13.13843 70.51868       20.72762  74.55683       
26.51173  64.16915       33.24430  81.14262 16.62597 73.47804 21.12340 
7.664574       26.88161 
1 1 1 -9  23 23 o 57.25028 14.93301 37.61912       17.56661  36.35246       
25.28456  38.80100       24.42369  56.15664 18.80767 57.61184 18.43703 
-1.455200      26.33728 
1 1 1 -9  23 24 o 26.76896 12.57901 -14.84839      17.47223  7.622495       
25.21595  -35.60036      24.23232  40.60559 17.31891 27.70512 13.47917 
12.90047       21.94613 
1 1 1 -9  24 1  o 102.7520 5.403005 107.8404       11.24992  0.000000       
0.000000  107.8404       11.24992  ?        ?        102.7520 5.403005 
0.000000       5.403005 
1 1 1 -9  24 2  o 816.9253 7.135025 6805.275       118.5303  6676.916       
237.1299  6848.028       136.8536  805.5579 14.47565 819.1009 8.216133 
-13.54303      16.64480 
1 1 1 -9  24 3  o 214.7043 4.452134 469.2108       19.43840  450.7033       
37.82012  475.8549       22.66054  210.0957 8.852263 216.1797 5.154706 
-6.084076      10.24371 
1 1 1 -9  24 4  o 151.5013 3.890204 233.5602       11.98506  226.2406       
16.67860  241.3753       17.23391  149.0493 5.502729 153.9540 5.504799 
-4.904663      7.783498 
1 1 1 -9  24 5  o 361.4507 4.152607 1329.571       30.52259  1269.191       
41.77634  1398.707       44.70306  352.9946 5.819838 370.5553 5.932433 
-17.56067      8.310492 
1 1 1 -9  24 6  o 276.7932 3.865691 779.6149       21.75875  744.5094       
29.90691  819.0953       31.71573  270.3834 5.439263 283.5989 5.499444 
-13.21548      7.734951 
1 1 1 -9  24 7  o 126.2917 4.563067 162.3613       11.71880  159.3972       
16.06855  165.7289       17.12789  124.9048 6.347117 127.3393 6.637375 
-2.434448      9.183716 
1 1 1 -9  24 8  o 253.7566 5.651165 655.9990       29.16129  0.000000       
0.000000  655.9990       29.16129  ?        ?        253.7566 5.651165 
0.000000       5.651165 
1 1 1 -9  24 9  o 232.9938 4.509361 552.7188       21.36539  545.1635       
34.87714  557.2571       27.03108  231.1262 7.420621 233.8543 5.684165 
-2.728043      9.347478 
1 1 1 -9  24 10 o 41.56375 12.92518 17.69091       12.08344  10.49305       
14.10641  37.52718       23.41774  36.93087 13.86544 59.67159 17.88572 
-22.74072      22.63072 
1 1 1 -9  24 11 o 320.4631 4.296968 1045.835       28.00217  1052.504       
39.62654  1039.183       39.57560  321.2318 6.066193 319.1874 6.097199 
2.044403       8.600845 
1 1 1 -9  24 12 o 202.6378 4.378175 418.2799       18.04119  403.5609       
24.98711  434.3095       26.07589  198.8581 6.179042 206.2904 6.215969 
-7.432220      8.764635 
1 1 1 -9  24 13 o 226.2162 4.352621 521.3923       20.02285  527.6541       
28.26194  515.0820       28.37155  227.3428 6.113212 224.6033 6.211772 
2.739502       8.715359 
1 1 1 -9  24 14 o 198.7565 4.618112 402.7074       18.66539  432.0271       
26.74462  374.8646       26.06231  205.6205 6.396148 191.4900 6.692915 
14.13054       9.257744 
1 1 1 -9  24 15 o 196.3322 5.468776 393.4931       21.83399  358.8475       
38.31968  410.1482       26.56870  186.3197 10.15202 200.2756 6.523654 
-13.95583      12.06738 
1 1 1 -9  24 16 o 34.98580 13.94415 6.929146       14.91785  5.519348       
18.03367  9.984920       26.55011  36.80523 15.08883 45.11066 18.37952 
-8.305439      23.77981 
1 1 1 -9  24 17 o 46.91299 14.91064 22.93369       15.99525  23.34031       
19.40466  22.07174       28.25245  48.37815 16.47497 51.56553 19.56330 
-3.187378      25.57631 
1 1 1 -9  24 18 o 139.3172 6.150863 198.6885       17.42578  179.9066       
24.26602  218.6872       25.03975  131.7388 9.114037 145.4760 8.501217 
-13.73717      12.46340 
1 1 1 -9  24 19 o 151.6267 6.133629 235.4510       18.91232  230.9083       
27.14711  239.7348       26.36227  149.2877 8.984118 152.2563 8.549029 
-2.968597      12.40162 
1 1 1 -9  24 20 o 51.44078 14.87948 28.84823       16.44989  67.34270       
23.44833  -8.456971      23.08328  78.29066 15.27668 34.90770 15.66391 
43.38296       21.88002 
1 1 1 -9  24 21 o 144.8612 6.870437 215.9234       20.23894  224.9356       
29.34819  207.7509       27.94753  146.6137 9.901660 140.9128 9.814349 
5.700928       13.94146 
1 1 1 -9  24 22 o 25.39180 12.30047 -29.91439      19.61258  -52.84556      
25.29737  4.634874       31.05144  26.15643 12.93257 44.32734 19.07016 
-18.17091      23.04176 
1 1 1 -9  24 23 o 92.73747 10.16523 92.39783       18.85591  89.69812       
26.73594  95.06957       26.59716  88.43954 15.42718 91.49895 14.79977 
-3.059410      21.37829 
1 1 1 -9  24 24 o 117.4392 8.715135 147.1896       20.66475  135.7349       
29.39074  158.3886       29.06079  109.2557 13.51706 119.2767 12.15088 
-10.02110      18.17566 
1 1 1 -9  25 1  o 174.5129 5.256420 310.2616       18.65387  0.000000       
0.000000  310.2616       18.65387  ?        ?        174.5129 5.256420 
0.000000       5.256420 
1 1 1 -9  25 2  o 94.61342 5.336935 91.47744       10.22632  0.000000       
0.000000  91.47744       10.22632  ?        ?        94.61342 5.336935 
0.000000       5.336935 
1 1 1 -9  25 3  o 87.18838 5.346315 77.72040       9.433281  48.70109       
27.65132  81.54263       10.03532  67.55841 19.21418 89.29588 5.553988 
-21.73747      20.00078 
1 1 1 -9  25 4  o 64.18434 6.120619 42.36172       7.891895  41.82634       
10.98203  42.93344       11.34865  63.40099 8.751231 64.21909 8.932019 
-0.8181000     12.50460 
1 1 1 -9  25 5  o 222.0266 3.693840 501.6373       16.67764  488.9440       
23.17461  515.2731       24.01955  219.1108 5.201126 224.9293 5.251307 
-5.818527      7.391071 
1 1 1 -9  25 6  o 354.2405 4.148917 1277.264       29.88714  1194.169       
40.64333  1375.102       44.10177  342.3452 5.838128 367.3572 5.903588 
-25.01202      8.302776 
1 1 1 -9  25 7  o 275.3489 4.362857 771.8377       24.42901  715.6804       
38.01329  811.3472       31.88479  264.8780 7.057292 282.1998 5.556168 
-17.32178      8.982003 
1 1 1 -9  25 8  o 268.5661 4.461610 734.3917       24.36656  763.0494       
40.06725  717.5729       30.69500  273.4507 7.205416 265.3577 5.688325 
8.092957       9.180144 
1 1 1 -9  25 9  o 137.5680 6.582140 193.0618       18.41348  193.0618       
18.41348  0.000000       0.000000  137.5680 6.582140 ?        ?        
0.000000       6.582140 
1 1 1 -9  25 10 o 83.38622 7.767272 71.66851       13.01934  68.20815       
15.70226  79.28022       23.28856  81.01125 9.726008 86.60933 13.67691 
-5.598076      16.78252 
1 1 1 -9  25 11 o 75.50983 7.580686 58.86665       11.48314  55.60662       
15.80327  62.51335       16.71421  72.73928 11.02978 77.23085 10.94910 
-4.491570      15.54152 
1 1 1 -9  25 12 o 99.45617 6.105350 101.3503       12.28820  99.80510       
16.94133  103.0659       17.85059  98.32759 8.558019 99.87604 8.881690 
-1.548447      12.33386 
1 1 1 -9  25 13 o 113.7962 5.749239 132.5190       13.26113  129.9696       
18.32339  135.3230       19.21663  112.3416 8.074587 114.6029 8.302016 
-2.261299      11.58112 
1 1 1 -9  25 14 o 71.57729 8.730369 53.36814       12.44416  41.41763       
17.20278  66.48584       18.02329  61.85562 14.00233 79.39975 11.49716 
-17.54413      18.11767 
1 1 1 -9  25 15 o 80.18262 9.704028 67.17641       15.50073  21.34116       
27.22246  89.16758       18.85609  50.89235 19.22841 92.42309 10.20283 
-41.53074      21.76763 
1 1 1 -9  25 16 o 233.5602 5.446482 557.2503       25.86820  581.7028       
31.98862  511.0420       43.97380  238.3694 6.599235 222.5364 9.717206 
15.83295       11.74623 
1 1 1 -9  25 17 o 63.01757 11.65902 42.56523       14.39054  50.69122       
20.33428  34.41198       20.36836  68.02328 15.09450 56.27026 16.63824 
11.75303       22.46497 
1 1 1 -9  25 18 o 52.27026 13.79900 29.81226       14.88304  23.09915       
21.23493  36.29385       20.86552  48.76623 17.20158 57.54366 16.79067 
-8.777431      24.03791 
1 1 1 -9  25 19 o 119.5040 7.334164 147.3218       17.73699  152.3474       
25.38456  142.5274       24.79366  120.6582 10.44889 116.6389 10.56786 
4.019226       14.86133 
1 1 1 -9  25 20 o 95.57204 9.262416 95.51308       17.77548  90.70507       
24.70873  100.6706       25.59113  91.64875 13.67643 96.76171 13.36227 
-5.112961      19.12054 
1 1 1 -9  25 21 o 94.62466 9.796403 94.37804       18.57745  61.58390       
26.62068  125.5108       25.93760  73.25021 17.99998 108.3885 11.96739 
-35.13824      21.61521 
1 1 1 -9  25 22 o 27.86934 13.26176 -23.00190      20.59407  -9.779407      
25.68613  -46.79815      34.45850  35.82715 16.25774 33.76368 16.34348 
2.063477       23.05262 
1 1 1 -9  25 23 o 137.6333 8.832177 200.7353       24.58917  209.9792       
30.37137  183.1481       41.89250  139.4063 10.79771 125.0322 16.91029 
14.37413       20.06361 
1 1 1 -9  25 24 o 58.40946 16.63141 42.25274       20.70480  64.96107       
25.81085  1.266040       34.67617  71.79644 17.77345 42.57352 19.14362 
29.22292       26.12229 
1 1 1 -9  26 1  o 326.5534 3.998911 1085.665       26.55507  1097.098       
60.33682  1082.918       29.57325  327.3882 9.062918 326.0884 4.459769 
1.299805       10.10079 
1 1 1 -9  26 2  o 171.1391 4.037871 298.1640       14.05248  0.000000       
0.000000  298.1640       14.05248  ?        ?        171.1391 4.037871 
0.000000       4.037871 
1 1 1 -9  26 3  o 378.9938 4.738779 1462.802       36.52161  0.000000       
0.000000  1462.802       36.52161  ?        ?        378.9938 4.738779 
0.000000       4.738779 
1 1 1 -9  26 4  o 477.0777 5.397656 2318.914       52.36557  2156.731       
82.70197  2427.451       67.65566  459.3024 8.854533 487.8190 6.820152 
-28.51654      11.17664 
1 1 1 -9  26 5  o 109.7983 4.581632 122.7578       10.22980  113.4083       
14.52557  131.9583       14.40939  105.2214 6.825397 113.5951 6.262034 
-8.373657      9.262782 
1 1 1 -9  26 6  o 310.5825 4.427961 982.1602       27.96611  924.4570       
43.74150  1022.055       36.37083  300.9836 7.146597 316.6890 5.647664 
-15.70532      9.108785 
1 1 1 -9  26 7  o 275.4308 4.345926 772.4301       24.34144  724.5939       
37.90868  805.9898       31.75185  266.4671 6.995902 281.2252 5.552178 
-14.75809      8.931368 
1 1 1 -9  26 8  o 309.0036 4.565817 972.4620       28.69020  985.1727       
47.23371  965.0307       36.11605  310.5815 7.478681 307.6674 5.772545 
2.914093       9.447378 
1 1 1 -9  26 9  o 207.6196 5.706824 439.5330       24.09430  439.5330       
24.09430  0.000000       0.000000  207.6196 5.706824 ?        ?        
0.000000       5.706824 
1 1 1 -9  26 10 o 210.5841 4.827580 451.9002       20.67315  428.3722       
24.36420  512.3890       39.06583  204.9222 5.846713 223.6961 8.587906 
-18.77388      10.38923 
1 1 1 -9  26 11 o 310.5505 4.256607 982.4739       26.88111  964.5691       
37.55820  1001.279       38.49020  307.4149 6.007978 313.2030 6.043282 
-5.788086      8.521564 
1 1 1 -9  26 12 o 56.80757 10.18968 34.18780       11.33865  35.87161       
15.19642  32.07304       17.03037  57.69085 13.23463 54.57010 14.91915 
3.120750       19.94333 
1 1 1 -9  26 13 o 83.75932 7.368213 72.37762       12.42239  87.08051       
17.32106  56.80569       17.82561  91.54765 9.439550 73.05638 12.44479 
18.49127       15.61979 
1 1 1 -9  26 14 o 166.4617 4.913260 282.7031       16.63166  263.3453       
22.79905  304.7217       24.31556  160.3823 6.990513 172.5324 6.930460 
-12.15016      9.843706 
1 1 1 -9  26 15 f 231.9582 5.373502 549.5071       25.34653  608.1523       
46.90985  525.3260       30.12220  242.8795 9.497773 226.5555 6.538234 
16.32391       11.53066 
1 1 1 -9  26 16 o 148.4605 6.610779 225.7665       19.95791  271.0301       
24.58407  138.2703       34.18013  162.5038 7.439414 113.5274 15.18599 
48.97649       16.91033 
1 1 1 -9  26 17 o 212.7784 5.009300 462.4995       21.67485  467.9146       
31.29608  457.5079       30.04774  213.4867 7.208878 211.1581 6.997659 
2.328629       10.04665 
1 1 1 -9  26 18 o 168.9669 6.384555 292.6685       21.93733  296.2913       
36.69503  290.6536       27.36611  168.4301 10.76999 167.9920 8.010750 
0.4381409      13.42255 
1 1 1 -9  26 19 o 42.09542 14.92206 16.84000       15.99880  11.05467       
22.41451  22.84865       22.84301  42.48411 17.03760 49.10231 17.78017 
-6.618198      24.62548 
1 1 1 -9  26 20 o 162.5941 7.357310 272.3942       24.32626  281.7858       
29.21782  251.1750       43.91810  164.7036 8.754994 152.7954 14.30088 
11.90814       16.76798 
1 1 1 -9  26 21 o 74.87241 14.51699 62.38436       21.30513  91.21343       
25.11885  -11.52627      40.21962  91.15355 13.99867 45.02205 20.39573 
46.13150       24.73759 
1 1 1 -9  26 22 o 67.73647 15.71406 53.00399       21.22627  37.25710       
26.14692  83.43993       36.35102  56.78320 19.12517 81.71894 21.56183 
-24.93574      28.82160 
1 1 1 -9  26 23 f 86.12038 13.24242 83.94160       22.44853  93.05258       
28.02719  67.63632       37.49396  88.70101 16.13245 70.50681 22.87319 
18.19420       27.98997 
1 1 1 -9  27 1  o 118.7658 4.183291 143.6530       10.10325  179.2284       
30.64858  139.3157       10.70142  131.4552 11.58357 116.9442 4.499987 
14.51107       12.42694 
1 1 1 -9  27 2  o 265.5591 3.755164 717.9213       20.27876  767.7648       
51.67871  708.8497       22.04706  273.7663 9.282827 263.8440 4.109150 
9.922241       10.15165 
1 1 1 -9  27 3  o 11.86449 5.959050 -19.00347      6.344128  0.000000       
0.000000  -19.00347      6.344128  ?        ?        11.86449 5.959050 
0.000000       5.959050 
1 1 1 -9  27 4  o 110.9006 4.230418 125.2323       9.540442  144.1025       
13.97799  108.7750       13.05382  118.8884 5.781676 103.0808 6.257025 
15.80753       8.519280 
1 1 1 -9  27 5  o 21.62118 9.174765 0.1351853      7.012325  11.20893       
9.527076  -12.95675      10.35892  34.20220 11.54437 19.87516 9.442467 
14.32704       14.91418 
1 1 1 -9  27 6  o 443.5954 5.203592 2005.223       46.93985  1887.279       
74.80392  2081.830       60.28656  429.5366 8.563922 451.6928 6.563355 
-22.15616      10.78974 
1 1 1 -9  27 7  o 84.28384 6.037502 72.82355       10.27937  70.94281       
14.55305  74.69614       14.52145  82.80096 8.776869 85.02961 8.512601 
-2.228653      12.22693 
1 1 1 -9  27 8  o 88.60732 5.886341 80.43188       10.54602  75.12326       
14.26043  86.83958       15.66728  85.28712 8.328680 91.72899 8.495607 
-6.441864      11.89715 
1 1 1 -9  27 9  o 189.0660 4.249975 364.1016       16.33997  355.9528       
22.74539  372.7919       23.48895  186.7744 5.988589 191.1350 6.043268 
-4.360626      8.507895 
1 1 1 -9  27 10 o 197.9663 5.013726 399.5557       20.18382  387.4559       
23.81013  430.4535       38.04837  194.8310 6.009694 204.8384 9.134257 
-10.00739      10.93394 
1 1 1 -9  27 11 o 130.2266 5.097592 172.9621       13.49945  175.3863       
18.42587  170.1532       19.83403  130.7824 6.953293 128.7025 7.612160 
2.079819       10.30986 
1 1 1 -9  27 12 o 115.7428 5.553761 136.7538       13.07171  138.1584       
18.15608  135.2421       18.83499  115.8646 7.750544 114.5594 8.138003 
1.305161       11.23824 
1 1 1 -9  27 13 o 80.88420 7.565588 67.62745       12.29940  51.55631       
16.71503  86.60355       18.16299  69.50665 12.27460 91.13571 9.962756 
-21.62906      15.80893 
1 1 1 -9  27 14 o 100.0844 6.693873 102.9944       13.54515  91.04039       
18.51674  116.7538       19.86581  93.42945 9.896744 106.0683 9.304210 
-12.63882      13.58359 
1 1 1 -9  27 15 f 219.2733 5.529501 491.3618       24.65603  535.8456       
45.19618  472.5139       29.41934  227.7657 9.758028 214.7631 6.736308 
13.00259       11.85736 
1 1 1 -9  27 16 o 108.9289 9.495973 123.5194       20.82421  123.5194       
20.82421  0.000000       0.000000  108.9289 9.495973 ?        ?        
0.000000       9.495973 
1 1 1 -9  27 17 o 126.2347 7.472321 164.3849       19.09624  151.0559       
22.99543  194.0008       34.27712  120.4621 9.463452 135.4761 12.58584 
-15.01401      15.74676 
1 1 1 -9  27 18 o 95.86918 12.39354 97.92985       23.59596  87.54649       
29.21091  117.4273       40.02807  88.93226 16.76723 101.7803 20.05296 
-12.84799      26.13927 
1 1 1 -9  27 19 o 102.7370 8.227805 109.6586       17.04523  119.8497       
23.99842  99.28345       24.21423  106.4837 11.25325 96.31516 12.67053 
10.16853       16.94633 
1 1 1 -9  27 20 o 37.85662 14.79473 10.35659       16.49895  9.849251       
23.50912  10.84900       23.16086  42.26054 17.26531 42.51110 17.22335 
-0.2505531     24.38718 
1 1 1 -9  27 21 o 93.98259 10.20241 93.94919       19.18535  106.6263       
26.86754  80.76006       27.40480  98.50381 13.79100 84.11549 16.61076 
14.38832       21.58956 
1 1 1 -9  27 22 o 37.92584 15.85876 6.927655       20.46719  -6.083274      
26.14582  27.51850       32.89161  36.84089 16.58906 52.78170 20.80967 
-15.94081      26.61276 
1 1 1 -9  27 23 o 92.43691 11.76070 95.21436       21.60641  81.55565       
27.48370  117.3150       34.96008  81.64791 17.10096 97.16093 18.36709 
-15.51302      25.09567 
1 1 1 -9  28 1  o 66.18283 5.546632 44.99310       7.396098  32.36472       
25.37278  46.16579       7.731881  56.59497 18.83856 67.02341 5.727938 
-10.42844      19.69011 
1 1 1 -9  28 2  o 242.3904 3.619801 598.1648       17.84233  594.8017       
43.62940  598.8402       19.55204  240.9130 8.905691 242.4955 3.964942 
-1.582535      9.748441 
1 1 1 -9  28 3  o 205.9405 3.541995 431.7436       14.83342  452.1147       
38.88583  428.2746       16.04679  210.0384 9.104188 205.0894 3.847634 
4.949051       9.883852 
1 1 1 -9  28 4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -9  28 5  o 204.5728 3.928009 426.1281       16.34075  432.6563       
25.09959  421.3256       21.52799  205.9380 5.993476 203.3065 5.207158 
2.631500       7.939537 
1 1 1 -9  28 6  o 174.7864 3.828866 311.0570       13.60909  291.0301       
18.61834  334.0330       19.94211  168.9485 5.419199 181.0007 5.418004 
-12.05222      7.663060 
1 1 1 -9  28 7  o 163.2394 5.554255 271.7617       18.43751  271.7617       
18.43751  0.000000       0.000000  163.2394 5.554255 ?        ?        
0.000000       5.554255 
1 1 1 -9  28 8  o 41.38107 10.83492 18.26573       9.224992  15.62266       
12.54446  21.37834       13.61319  39.83992 13.24542 45.21934 13.65561 
-5.379417      19.02411 
1 1 1 -9  28 9  o 150.2575 5.522817 230.3385       16.87518  211.1150       
32.10844  237.6750       19.83562  142.6927 11.15407 152.5438 6.394399 
-9.851059      12.85697 
1 1 1 -9  28 10 o 104.8458 6.539190 112.7745       13.87255  110.7702       
16.09265  118.5726       27.37088  103.7292 7.683781 106.1873 12.94331 
-2.458115      15.05223 
1 1 1 -9  28 11 o 152.0028 4.674107 235.5934       14.44780  247.4414       
20.22195  223.2394       20.64930  155.5855 6.391496 147.7194 6.874109 
7.866043       9.386405 
1 1 1 -9  28 12 o 76.65002 7.807537 60.86081       11.99974  48.76464       
15.87459  76.98701       18.32924  67.61988 11.98322 85.67770 10.75739 
-18.05782      16.10339 
1 1 1 -9  28 13 o 200.4127 5.083688 410.0004       20.71836  423.6620       
25.68372  384.5483       35.05657  203.5281 6.205577 193.3037 8.918211 
10.22433       10.86479 
1 1 1 -9  28 14 o 99.43680 7.627040 102.0796       15.30496  99.64375       
18.72621  106.9802       26.56141  97.81948 9.535215 100.3058 13.35368 
-2.486275      16.40857 
1 1 1 -9  28 15 o 344.0308 5.471349 1209.920       38.27747  1225.893       
68.65093  1202.714       46.11008  344.2535 9.806560 342.5784 6.618879 
1.675049       11.83124 
1 1 1 -9  28 16 o 65.17771 15.18220 46.83685       19.74843  46.83685       
19.74843  0.000000       0.000000  65.17771 15.18220 ?        ?        
0.000000       15.18220 
1 1 1 -9  28 17 o 143.6620 6.078515 211.5020       17.75786  263.8215       
26.39886  168.2621       23.99913  159.7527 8.153305 127.1381 9.348137 
32.61463       12.40419 
1 1 1 -9  28 18 o 105.6545 8.873284 116.2844       18.88789  127.0000       
31.32780  110.1648       23.67472  108.3609 14.58757 101.9476 11.62777 
6.413261       18.65482 
1 1 1 -9  28 19 f 116.1104 7.566521 139.6004       17.76804  153.5931       
24.94653  125.1934       25.31307  120.9336 10.24024 108.5812 11.64588 
12.35244       15.50771 
1 1 1 -9  28 20 o 118.3107 7.799945 145.5026       18.66052  156.3987       
26.48412  134.7601       26.29681  121.4786 10.83471 112.3243 11.68371 
9.154312       15.93423 
1 1 1 -9  28 21 o 135.2347 7.477519 190.4405       20.48364  197.6282       
30.87102  184.7870       27.37885  135.7703 11.28359 131.8298 10.29458 
3.940552       15.27409 
1 1 1 -9  28 22 o 85.25274 15.32854 84.38383       25.59723  89.75051       
36.64612  79.27079       35.76970  83.13653 21.51179 77.79019 21.75943 
5.346336       30.59787 
1 1 1 -9  28 23 o 67.49962 17.45962 57.62092       24.14592  90.66694       
34.42664  25.62540       33.87503  82.11277 20.64042 49.92908 20.59906 
32.18369       29.16073 
1 1 1 -9  29 1  o 182.9025 3.599918 340.6747       13.38948  322.6150       
34.73042  343.8276       14.51124  176.8706 9.693046 183.7234 3.884085 
-6.852829      10.44228 
1 1 1 -9  29 2  o 93.37951 3.953493 88.81721       7.507304  65.85195       
26.49979  90.82117       7.827999  77.74293 17.21627 94.42175 4.076874 
-16.67883      17.69239 
1 1 1 -9  29 3  o 85.57281 11.07139 76.65457       18.81418  93.19794       
26.00754  58.49210       27.25051  93.75904 14.07529 73.11726 18.35503 
20.64178       23.13052 
1 1 1 -9  29 4  o 70.49911 6.523804 51.19258       9.246647  96.90340       
26.31756  44.75508       9.876316  95.70003 13.93219 65.72537 7.525028 
29.97466       15.83451 
1 1 1 -9  29 5  o 292.4072 3.782615 870.6827       22.49218  843.7311       
31.06293  900.3876       32.61101  287.6332 5.310703 297.1189 5.397375 
-9.485687      7.572003 
1 1 1 -9  29 6  o 229.8647 3.693949 538.0319       17.26691  509.1033       
23.57558  571.5057       25.36016  223.4393 5.188616 236.7267 5.268091 
-13.28746      7.394222 
1 1 1 -9  29 7  o 189.0811 3.838235 364.1108       14.75812  370.1033       
20.58668  357.7754       21.16772  190.4867 5.314594 187.2596 5.558767 
3.227127       7.690566 
1 1 1 -9  29 8  o 117.1004 5.196396 139.8672       12.37406  125.4525       
15.30956  167.0270       21.01468  110.5656 6.842751 127.4172 8.153172 
-16.85155      10.64413 
1 1 1 -9  29 9  o 113.6905 7.487160 132.9054       17.21295  130.9449       
27.93979  134.1047       21.85247  111.7399 12.51066 113.8146 9.529420 
-2.074692      15.72662 
1 1 1 -9  29 10 o 257.0766 5.759357 674.9534       30.10842  674.9534       
30.10842  0.000000       0.000000  257.0766 5.759357 ?        ?        
0.000000       5.759357 
1 1 1 -9  29 11 o 265.5622 4.229563 718.9088       22.84090  733.5023       
31.99644  703.7445       32.61629  267.9241 5.872708 262.3788 6.113000 
5.545319       8.476878 
1 1 1 -9  29 12 o 243.0946 4.220456 602.5156       20.86345  597.6459       
29.22027  607.5802       29.79898  241.7835 5.943004 243.7695 6.011333 
-1.985916      8.453131 
1 1 1 -9  29 13 o 71.99487 12.70752 55.58486       17.92416  0.000000       
0.000000  55.58486       17.92416  ?        ?        71.99487 12.70752 
0.000000       12.70752 
1 1 1 -9  29 14 o 42.14526 12.93558 18.68282       12.14792  3.480167       
16.49411  36.70514       17.95869  34.28716 14.27825 57.84986 15.10327 
-23.56271      20.78406 
1 1 1 -9  29 15 o 76.46291 11.02865 62.01250       16.65258  72.19382       
31.34234  58.00791       19.65659  79.86757 19.47353 73.11991 13.72373 
6.747658       23.82350 
1 1 1 -9  29 16 o 83.50835 10.22619 73.48447       17.00294  62.60044       
20.18837  100.0445       31.53704  75.97193 13.56532 95.15390 16.91826 
-19.18197      21.68515 
1 1 1 -9  29 17 o 34.07706 13.60602 6.832556       14.22622  21.60721       
19.91740  -8.555524      20.32667  47.04101 16.65226 32.40669 14.60644 
14.63432       22.15052 
1 1 1 -9  29 18 o 131.1246 7.034149 177.3963       18.68786  157.4289       
26.24481  197.9331       26.61636  122.3410 10.65561 137.7016 9.564467 
-15.36054      14.31856 
1 1 1 -9  29 19 o 153.0353 7.059571 241.3682       21.96956  257.2492       
36.13075  232.0518       27.67319  155.9037 11.47714 149.1048 9.171221 
6.798843       14.69136 
1 1 1 -9  29 20 o 44.62161 16.19194 19.43890       18.95883  41.23311       
30.91366  6.299987       24.00268  60.33516 20.78756 40.61436 17.08967 
19.72079       26.91058 
1 1 1 -9  29 21 o 140.2437 7.169669 204.8716       20.37886  177.3864       
29.60603  229.6203       28.09353  128.0917 11.48810 147.2350 9.432656 
-19.14323      14.86444 
1 1 1 -9  29 22 o 47.14961 17.11715 24.72506       21.19087  38.99887       
26.28356  -1.786173      35.82029  56.12721 19.17375 42.82513 19.33794 
13.30208       27.23213 
1 1 1 -9  29 23 f 33.84431 14.92359 0.9659017      20.03959  -6.537401      
25.41251  13.30448       32.58772  34.82037 15.94200 44.54912 19.34951 
-9.728752      25.07092 
1 1 1 -9  30 1  o 393.1030 4.795674 1576.140       38.33606  1727.730       
78.71591  1529.005       43.89330  409.7312 9.447396 386.9670 5.577928 
22.76419       10.97117 
1 1 1 -9  30 2  o 145.1196 7.470796 216.2331       21.97194  246.0559       
30.55627  184.3040       31.61690  154.3101 9.788332 132.9423 11.81837 
21.36787       15.34553 
1 1 1 -9  30 3  o 255.0956 8.607937 667.7571       44.65328  667.7571       
44.65328  0.000000       0.000000  255.0956 8.607937 ?        ?        
0.000000       8.607937 
1 1 1 -9  30 4  o 340.9391 9.013998 1193.590       62.49505  1193.590       
62.49505  0.000000       0.000000  340.9391 9.013998 ?        ?        
0.000000       9.013998 
1 1 1 -9  30 5  o 251.1216 3.949161 642.4089       20.16695  649.4704       
25.93823  631.6157       32.06785  252.3457 5.054671 248.6320 6.342513 
3.713715       8.110312 
1 1 1 -9  30 6  o 117.7743 4.369318 141.3653       10.46443  128.2673       
13.13880  164.0872       17.30516  111.9382 5.791818 126.5040 6.751379 
-14.56577      8.895294 
1 1 1 -9  30 7  o 248.8796 5.334523 632.0707       26.99829  632.0707       
26.99829  0.000000       0.000000  248.8796 5.334523 ?        ?        
0.000000       5.334523 
1 1 1 -9  30 8  o 152.9462 4.200372 238.4045       13.06405  232.2348       
17.90939  245.4207       19.09862  150.7899 5.840596 154.9849 6.059839 
-4.195007      8.416306 
1 1 1 -9  30 9  o 93.48745 7.234282 90.03888       13.64603  91.20538       
28.12663  89.67978       15.60575  92.01467 15.58829 93.10317 8.330729 
-1.088501      17.67472 
1 1 1 -9  30 10 o 34.95709 12.00310 11.66055       10.30270  15.00556       
13.85445  7.522352       15.40978  39.86547 13.90593 35.75993 14.19753 
4.105549       19.87321 
1 1 1 -9  30 11 o 48.37493 11.19344 25.20841       10.79283  21.25996       
14.56097  30.02266       16.07832  45.16305 14.21215 52.63631 14.53993 
-7.473259      20.33211 
1 1 1 -9  30 12 o 48.57183 11.50096 25.47812       11.18416  41.17725       
15.06879  6.222677       16.68851  61.80168 12.42109 35.98262 14.60547 
25.81906       19.17298 
1 1 1 -9  30 13 o 126.2032 5.523716 162.8366       14.17598  152.4304       
19.74235  173.9129       20.36800  121.4760 8.037447 129.8570 7.748454 
-8.380928      11.16419 
1 1 1 -9  30 14 o 88.96819 7.325271 81.85706       13.13509  72.65777       
18.15019  91.97288       19.03288  82.87530 11.04467 93.65298 10.15659 
-10.77769      15.00471 
1 1 1 -9  30 15 o 26.73829 12.33266 -11.37318      15.60097  -28.33099      
30.46429  -5.345034      18.16343  35.30141 16.59537 31.65840 14.07101 
3.643013       21.75775 
1 1 1 -9  30 16 o 62.56117 13.10962 42.76542       16.14440  66.77867       
24.83809  25.19864       21.24412  77.45258 16.28656 49.82767 17.22876 
27.62491       23.70827 
1 1 1 -9  30 17 o 34.39927 14.13995 5.061283       15.88930  -19.18804      
26.11339  19.31759       20.02244  34.02592 15.78555 45.55601 16.62327 
-11.53009      22.92415 
1 1 1 -9  30 18 o 127.9584 6.954480 169.0577       18.02814  185.4339       
25.70220  153.1976       25.29397  133.1509 9.555921 120.6433 10.41209 
12.50761       14.13249 
1 1 1 -9  30 19 o 76.65500 10.98934 63.02330       16.64017  72.27427       
23.14926  53.13288       23.93596  80.70847 14.64410 68.03046 17.27119 
12.67801       22.64385 
1 1 1 -9  30 20 o 187.7408 5.834486 362.9305       22.27475  385.9460       
31.98807  341.2646       31.03601  192.4432 8.173988 180.8151 8.440724 
11.62810       11.74989 
1 1 1 -9  30 21 o 32.10776 13.96306 0.2208082      17.01173  13.38495       
24.25371  -12.52729      23.86738  42.92232 17.53624 33.07818 15.25585 
9.844143       23.24351 
1 1 1 -9  30 22 o 60.83522 14.90222 44.43874       18.28990  53.70790       
27.18077  36.76888       24.72495  64.05697 19.28487 54.17163 18.59489 
9.885338       26.78948 
1 1 1 -9  31 1  o 214.7405 3.788299 469.8983       16.54283  525.0330       
40.84584  459.0801       18.09316  225.8739 8.892635 212.2018 4.192894 
13.67204       9.831548 
1 1 1 -9  31 2  o 97.85311 9.805557 99.66756       19.24930  133.2310       
27.80650  68.78226       26.67404  112.5944 12.34701 79.18365 17.06818 
33.41078       21.06589 
1 1 1 -9  31 3  o 205.3299 6.411594 431.1613       26.77131  451.0097       
38.01183  411.6262       37.71067  209.4369 8.925121 199.9955 9.272412 
9.441422       12.86994 
1 1 1 -9  31 4  o 114.1197 8.827233 134.6176       20.32572  151.0193       
27.94166  116.1843       29.62167  120.2394 11.57042 104.5407 14.30955 
15.69878       18.40211 
1 1 1 -9  31 5  o 171.7920 6.726642 301.9457       23.49917  328.8244       
33.83606  276.9019       32.66079  178.5241 9.352871 163.6470 9.860529 
14.87708       13.59067 
1 1 1 -9  31 6  o 89.65046 4.473500 81.94791       8.155516  84.46127       
10.84295  78.67374       12.37573  90.73127 5.909013 87.38725 7.023529 
3.344025       9.178584 
1 1 1 -9  31 7  o 79.04453 5.429051 64.09328       8.673736  65.55649       
11.60582  62.24195       13.05464  79.67699 7.242025 77.40385 8.430058 
2.273140       11.11363 
1 1 1 -9  31 8  o 138.1035 4.248573 194.4444       11.93162  182.3586       
16.44370  207.8832       17.33964  133.5585 6.054475 142.6091 5.979176 
-9.050613      8.509243 
1 1 1 -9  31 9  o 100.2357 6.657659 103.3061       13.49330  111.7769       
27.01981  100.4917       15.57434  102.6754 13.25005 98.64375 7.828387 
4.031654       15.38985 
1 1 1 -9  31 10 o 99.59181 5.774843 101.7365       11.64520  94.03452       
16.02698  110.3504       16.94930  95.26988 8.357083 103.3075 8.133834 
-8.037659      11.66191 
1 1 1 -9  31 11 o 164.1855 4.570249 275.0825       15.25900  251.6830       
20.77722  302.4806       22.48248  156.7547 6.518018 171.8635 6.432934 
-15.10881      9.157903 
1 1 1 -9  31 12 o 69.93523 8.162127 50.99581       11.38945  41.87696       
15.90794  60.58610       16.31397  62.12906 13.00834 75.63917 10.92270 
-13.51011      16.98594 
1 1 1 -9  31 13 o 232.2931 4.916387 551.2682       23.22383  587.1184       
39.11279  531.7465       28.86246  238.7735 8.055289 227.8153 6.230158 
10.95827       10.18344 
1 1 1 -9  31 14 o 138.8870 6.178020 197.7279       17.44867  223.8889       
28.79338  182.5452       21.93510  146.6196 9.712153 132.8100 8.161425 
13.80965       12.68601 
1 1 1 -9  31 15 o 51.81056 16.71391 28.71323       20.04121  24.71893       
31.34034  31.47659       26.06764  53.48934 20.53010 55.09285 19.08269 
-1.603504      28.02917 
1 1 1 -9  31 16 o 37.39632 13.94903 11.85831       14.23161  14.11707       
19.89429  9.490895       20.36711  42.37214 16.33277 40.16791 16.19416 
2.204235       23.00022 
1 1 1 -9  31 17 o 39.58518 14.78088 13.49647       15.98779  -5.557679      
24.54838  27.53174       21.06873  36.86529 16.37305 51.07301 17.16795 
-14.20772      23.72373 
1 1 1 -9  31 18 o 94.09314 8.923017 92.82553       16.86930  111.2401       
23.55384  73.43215       24.17174  102.1000 11.54747 81.26379 15.18552 
20.83617       19.07732 
1 1 1 -9  31 19 o 67.95966 12.07642 50.51783       16.07795  52.23248       
22.52485  48.73681       22.95660  67.39095 16.55580 64.90406 17.13953 
2.486893       23.82977 
1 1 1 -9  31 20 o 38.93899 14.93616 13.03230       16.58183  0.5990725E-01  
23.14965  26.70104       23.76286  37.03782 16.19367 50.05569 18.13321 
-13.01787      24.31149 
1 1 1 -9  31 21 o 137.0953 7.413144 197.4429       20.59015  174.3890       
29.99416  217.9893       28.31600  125.7130 11.87350 142.3632 9.841396 
-16.65022      15.42183 
1 1 1 -9  31 22 o 61.78239 14.38318 45.96745       17.73257  71.84250       
26.15994  23.97155       24.11943  75.11155 17.45858 46.35411 17.95110 
28.75744       25.04084 
1 1 1 -9  32 1  o 308.5070 6.248985 974.2076       39.20359  985.3183       
55.99965  963.5286       54.90118  309.2019 8.906185 305.7995 8.828634 
3.402405       12.54053 
1 1 1 -9  32 2  o 194.5473 6.389626 387.4137       25.27854  397.8180       
36.55068  377.8745       34.99833  196.4561 9.149101 191.5142 8.986591 
4.941956       12.82439 
1 1 1 -9  32 3  o 63.60014 13.44774 43.80731       16.84867  21.87842       
24.02144  65.04245       23.63841  49.50410 18.18591 77.23840 15.58730 
-27.73429      23.95185 
1 1 1 -9  32 4  o 93.83358 9.613686 91.72060       18.08526  75.24031       
25.55339  108.2604       25.59951  83.21356 15.67599 101.1825 12.72287 
-17.96897      20.18930 
1 1 1 -9  32 5  o 100.2083 9.171441 104.2642       18.48200  155.7940       
26.86214  57.94263       25.46849  122.1950 10.92550 72.41045 17.49230 
49.78450       20.62395 
1 1 1 -9  32 6  o 230.5339 3.628360 541.4874       17.00970  510.6096       
23.11330  577.9677       25.12285  223.6426 5.082250 237.9157 5.192712 
-14.27316      7.265915 
1 1 1 -9  32 7  o 172.6016 5.211875 304.2301       18.29322  304.2301       
18.29322  0.000000       0.000000  172.6016 5.211875 ?        ?        
0.000000       5.211875 
1 1 1 -9  32 8  o 118.8050 4.652047 144.0287       11.23906  140.9091       
15.58825  147.4060       16.21941  117.1223 6.571490 119.7791 6.685574 
-2.656792      9.374507 
1 1 1 -9  32 9  o 101.8286 7.809405 107.1452       16.04787  0.000000       
0.000000  107.1452       16.04787  ?        ?        101.8286 7.809405 
0.000000       7.809405 
1 1 1 -9  32 10 f 56.38414 9.964910 33.82899       11.00777  18.42270       
16.58392  45.96244       14.71738  43.67314 15.21531 65.57214 11.45408 
-21.89901      19.04473 
1 1 1 -9  32 11 o 165.4372 4.588432 279.3984       15.43651  269.9985       
21.50119  289.3971       22.17546  162.3020 6.514590 168.0365 6.489596 
-5.734467      9.195366 
1 1 1 -9  32 12 o 53.80041 10.70481 31.11045       11.29959  29.24908       
15.48863  33.22832       16.52139  51.75145 14.26067 55.01543 14.54586 
-3.263985      20.37029 
1 1 1 -9  32 13 o 137.4435 5.382541 193.2784       15.04399  167.5791       
20.76053  221.6952       21.83061  127.2437 8.064960 146.8150 7.312133 
-19.57133      10.88627 
1 1 1 -9  32 14 o 170.0531 5.059987 295.7840       17.49788  294.0530       
24.85191  297.4857       24.64091  169.0333 7.229962 170.0463 7.125874 
-1.013000      10.15138 
1 1 1 -9  32 15 o 118.0557 9.588506 145.8338       22.82025  168.7111       
35.14112  129.1512       30.00862  125.1060 14.05623 109.4058 13.79487 
15.70028       19.69457 
1 1 1 -9  32 16 o 29.96952 12.80745 0.5549333      13.83864  -15.90899      
19.12859  18.63444       20.04516  28.73727 13.39179 45.01690 16.60133 
-16.27963      21.32943 
1 1 1 -9  32 17 o 69.56801 12.55245 52.73716       17.10444  67.45856       
27.95527  43.92839       21.62454  76.61333 18.21119 62.23748 16.72695 
14.37585       24.72728 
1 1 1 -9  32 18 o 48.91566 14.51459 26.48181       15.47975  21.80676       
21.48424  31.52911       22.32320  47.22396 17.22130 53.52306 17.66326 
-6.299099      24.66908 
1 1 1 -9  32 19 o 195.0870 5.709468 391.7623       22.65037  414.4131       
32.71413  370.9058       31.39170  199.4363 8.066399 188.6100 8.184624 
10.82631       11.49151 
1 1 1 -9  32 20 o 45.35959 15.17584 22.79680       16.46215  33.91890       
23.68291  12.39892       22.89888  53.85482 18.20142 41.80173 17.05445 
12.05309       24.94285 
1 1 1 -9  32 21 o 90.55785 10.37266 89.95141       18.75701  60.60115       
26.61476  118.9152       26.43895  68.70486 18.59554 102.2565 13.00911 
-33.55167      22.69430 
1 1 1 -9  32 22 o 40.13034 15.35211 17.03799       17.48921  26.05222       
25.40520  8.917874       24.11236  47.01603 18.36297 38.98351 16.78787 
8.032520       24.88034 
1 1 1 -9  33 1  o 108.8339 8.973583 123.0735       19.68304  148.1982       
27.73306  97.57211       27.94014  118.6791 11.64124 94.94932 14.96617 
23.72981       18.96061 
1 1 1 -9  33 2  o 49.18018 15.31997 25.66693       16.96770  44.96739       
23.83724  5.843782       24.15786  63.67936 17.74564 41.43830 17.27001 
22.24105       24.76209 
1 1 1 -9  33 3  o 104.9455 9.624889 114.7373       20.31163  178.8203       
32.01870  71.58230       26.27530  130.3641 12.22060 80.63249 16.57833 
49.73161       20.59573 
1 1 1 -9  33 4  o 125.1569 11.13568 163.9265       28.04542  0.000000       
0.000000  163.9265       28.04542  ?        ?        125.1569 11.13568 
0.000000       11.13568 
1 1 1 -9  33 5  o 198.3387 9.057331 405.7111       36.53079  0.000000       
0.000000  405.7111       36.53079  ?        ?        198.3387 9.057331 
0.000000       9.057331 
1 1 1 -9  33 6  o 319.3775 4.341829 1040.564       28.19865  1057.095       
45.58989  1030.322       35.88701  321.0629 6.982758 317.4662 5.558893 
3.596680       8.925257 
1 1 1 -9  33 7  o 143.6131 3.922710 210.2841       11.45597  203.8230       
15.45772  218.1572       17.06339  141.2181 5.382741 146.0469 5.745417 
-4.828751      7.872974 
1 1 1 -9  33 8  o 51.52583 8.552289 28.05684       8.646840  29.37013       
11.58717  26.40640       12.98960  52.18318 11.25048 49.31179 12.83075 
2.871387       17.06463 
1 1 1 -9  33 9  o 53.42591 9.106762 30.26429       9.539102  20.02683       
12.96514  42.34660       14.08498  43.53556 13.36382 62.84547 11.44283 
-19.30991      17.59346 
1 1 1 -9  33 10 o 174.1708 4.300327 309.5744       15.23100  292.4799       
20.90671  328.9090       22.23430  168.9842 6.083985 179.1953 6.101622 
-10.21115      8.616534 
1 1 1 -9  33 11 o 68.66200 8.251466 49.28252       11.29051  63.42168       
15.30643  32.40791       16.72165  77.59219 9.928417 54.31604 14.75579 
23.27615       17.78502 
1 1 1 -9  33 12 o 90.75420 6.594002 84.98389       12.08620  89.79653       
16.57540  79.52010       17.66117  92.76268 8.896082 86.88937 10.18885 
5.873306       13.52601 
1 1 1 -9  33 13 o 171.5719 4.769792 300.9215       16.64167  286.4337       
23.16745  316.3663       23.92037  166.9218 6.825173 175.4606 6.704044 
-8.538818      9.566984 
1 1 1 -9  33 14 o 138.6622 5.555532 197.0270       15.66517  201.2873       
22.43357  192.9727       21.88443  139.3722 7.948293 136.4634 7.920264 
2.908798       11.22078 
1 1 1 -9  33 15 o 104.3907 11.19612 115.6885       23.39631  105.6080       
36.08314  123.0009       30.73207  95.98325 19.15775 106.1673 14.62274 
-10.18400      24.10071 
1 1 1 -9  33 16 o 121.2429 6.768977 151.8394       16.62240  144.5807       
22.53187  160.5073       24.62221  117.4044 9.519562 123.5969 9.878986 
-6.192528      13.71920 
1 1 1 -9  33 17 o 126.8863 7.849324 167.3774       20.15396  212.9192       
32.41426  138.6758       25.73264  141.5484 11.35670 114.1220 11.23388 
27.42634       15.97419 
1 1 1 -9  33 18 o 74.27674 11.20669 59.68979       16.40052  81.70595       
22.91262  36.55856       23.48569  86.06809 13.53835 56.59798 18.07604 
29.47011       22.58385 
1 1 1 -9  33 19 o 97.27773 9.171023 100.4769       17.92777  120.2853       
26.28896  83.25631       24.51164  104.6488 12.60719 85.77086 14.57493 
18.87789       19.27096 
1 1 1 -9  33 20 o 70.42808 12.73187 56.17594       17.56317  61.66153       
25.11464  50.92551       24.57043  70.87933 17.52349 64.02028 18.07887 
6.859047       25.17773 
1 1 1 -9  33 21 o 98.23939 9.406968 105.1429       18.56282  122.9573       
27.21038  89.63503       25.38786  103.0742 13.29141 86.45789 14.98298 
16.61634       20.02876 
1 1 1 -9  33 22 o 36.82698 15.44164 10.16862       19.48500  29.64427       
25.04904  -19.67219      31.00633  48.06874 18.37675 34.07677 16.23125 
13.99197       24.51853 
1 1 1 -9  34 1  o 211.2771 9.022797 461.6600       38.76547  0.000000       
0.000000  461.6600       38.76547  ?        ?        211.2771 9.022797 
0.000000       9.022797 
1 1 1 -9  34 2  f 285.9390 6.175143 837.7867       35.90640  845.5248       
51.40865  830.4163       50.17254  286.1021 8.836162 283.6026 8.699704 
2.499542       12.40010 
1 1 1 -9  34 3  o 160.5206 6.931639 264.4927       22.62654  234.5264       
31.28068  297.3779       32.76867  149.9616 10.32041 169.2316 9.561077 
-19.27005      14.06858 
1 1 1 -9  34 4  o 27.84493 12.61955 -8.022518      15.41617  -13.30608      
21.84629  -2.781823      21.75748  32.29579 14.78431 35.94604 15.70821 
-3.650249      21.57136 
1 1 1 -9  34 5  o 119.3091 8.424348 147.4323       20.30772  172.3146       
30.76737  128.2241       27.03263  127.8968 11.96903 110.0703 12.28688 
17.82654       17.15299 
1 1 1 -9  34 6  o 104.1541 5.674197 111.3184       11.97268  115.8045       
27.62630  110.2810       13.28510  104.1612 13.34984 103.5487 6.339652 
0.6125412      14.77868 
1 1 1 -9  34 7  f 96.80262 4.719329 95.70048       9.290066  97.35325       
12.06753  93.29585       14.55582  97.29948 6.130313 94.95228 7.602162 
2.347206       9.765941 
1 1 1 -9  34 8  o 191.9314 3.920986 375.7246       15.30357  372.9753       
21.00878  378.8326       22.33730  190.9591 5.410147 192.3879 5.709545 
-1.428848      7.865659 
1 1 1 -9  34 9  o 105.6761 5.169703 114.1844       11.10949  104.3898       
15.10519  125.7253       16.39651  100.4756 7.445880 110.3382 7.349640 
-9.862579      10.46223 
1 1 1 -9  34 10 o 48.09916 10.86108 25.04421       10.37204  44.53494       
13.78259  -0.4083669     15.75008  64.53175 10.89048 31.49213 13.56489 
33.03962       17.39565 
1 1 1 -9  34 11 o 23.35872 10.48847 -4.502266      10.36749  1.709954       
13.87745  -12.34866      15.59629  30.71830 12.96368 26.35046 12.21575 
4.367840       17.81240 
1 1 1 -9  34 12 o 140.5598 5.049709 202.1342       14.43374  210.9694       
19.85466  192.2316       21.01994  143.2349 6.816511 136.3346 7.612222 
6.900284       10.21816 
1 1 1 -9  34 13 o 80.59886 7.915037 67.73712       12.80543  86.99796       
17.80681  47.10807       18.42842  90.88935 9.788738 65.20954 14.29164 
25.67981       17.32254 
1 1 1 -9  34 14 o 78.72363 8.873243 65.13393       13.95717  78.11297       
19.82694  52.38413       19.65107  85.34389 11.73483 68.66608 14.52664 
16.67780       18.67431 
1 1 1 -9  34 15 o 79.32014 11.35560 67.52300       17.79394  47.31108       
31.99798  76.57159       21.40963  64.29162 21.14389 83.93624 12.96062 
-19.64462      24.80003 
1 1 1 -9  34 16 o 69.20368 11.08966 51.62194       15.07925  46.96876       
20.61976  56.97134       22.10857  64.35279 15.85891 71.02070 15.72344 
-6.667908      22.33229 
1 1 1 -9  34 17 o 44.32216 14.63865 20.91322       15.33152  10.16550       
21.32435  32.41358       22.05836  40.62894 16.50335 53.87370 17.54753 
-13.24475      24.08893 
1 1 1 -9  34 18 o 114.8804 7.606620 137.8393       17.66951  107.3863       
25.16365  167.4588       24.81687  98.92796 12.80921 125.6176 9.792408 
-26.68965      16.12349 
1 1 1 -9  34 19 o 164.6871 6.369459 281.2769       21.33112  251.3188       
30.41535  310.2752       29.92416  153.3603 9.804068 171.6078 8.574989 
-18.24745      13.02498 
1 1 1 -9  34 20 o 64.98119 13.07219 48.84595       16.67538  60.21384       
24.84807  39.53117       22.49257  69.17248 17.61684 56.15179 17.66277 
13.02069       24.94648 
1 1 1 -9  34 21 o 60.23630 14.17367 44.25859       17.07213  34.32189       
25.64455  52.16750       22.87874  51.21775 18.79407 63.01793 17.31837 
-11.80017      25.55667 
1 1 1 -9  35 1  o 131.7950 7.744864 179.6723       20.66576  211.5467       
29.80353  150.1549       28.68040  142.1153 10.38468 118.9927 12.01725 
23.12260       15.88256 
1 1 1 -9  35 2  o 103.8523 8.708797 112.2771       18.22206  102.8647       
25.96302  121.4146       25.58099  97.82551 13.40372 106.9623 11.96577 
-9.136810      17.96773 
1 1 1 -9  35 3  o 153.2610 7.131978 241.5032       22.22762  259.7315       
31.04330  222.3259       31.84109  157.9150 9.714148 145.6317 10.82924 
12.28329       14.54776 
1 1 1 -9  35 4  o 212.0214 6.300305 461.0062       27.16394  459.2612       
38.86279  462.6731       37.98353  210.6562 9.072111 211.5350 8.830022 
-0.8787994     12.65988 
1 1 1 -9  35 5  o 172.0000 6.685297 303.7032       23.38302  294.4947       
33.19247  312.7755       32.94607  168.2067 9.745629 173.5137 9.371997 
-5.307007      13.52078 
1 1 1 -9  35 6  o 79.48149 11.59089 67.35133       18.18290  55.10266       
26.18235  78.76204       25.27088  69.85764 18.23544 84.80200 15.21319 
-14.94437      23.74811 
1 1 1 -9  35 7  o 189.6422 3.742205 366.7974       14.43158  359.3473       
19.54814  375.7220       21.39541  187.4540 5.128131 191.5967 5.491376 
-4.142624      7.513517 
1 1 1 -9  35 8  o 93.78576 5.243804 90.26094       9.960743  88.16293       
13.21919  93.01687       15.15078  92.33375 7.094589 94.65834 7.944378 
-2.324593      10.65112 
1 1 1 -9  35 9  o 33.18485 11.23505 10.80935       9.023644  14.06437       
11.96702  6.519466       13.73827  37.80706 12.93762 33.44682 13.36500 
4.360241       18.60122 
1 1 1 -9  35 10 o 81.61532 6.651161 68.89046       10.94276  66.59240       
14.72941  71.72121       16.34759  79.60138 9.273213 82.45297 9.950994 
-2.851593      13.60201 
1 1 1 -9  35 11 o 30.13309 11.81077 5.995319       10.53829  27.15246       
14.28618  -19.25870      15.60820  49.69941 13.69623 24.12269 11.49716 
25.57673       17.88215 
1 1 1 -9  35 12 o 46.62412 11.81372 23.79301       11.21436  23.57604       
15.54213  24.02866       16.19714  46.79457 14.67630 47.29446 15.00153 
-0.4998970     20.98665 
1 1 1 -9  35 13 o 87.81939 7.471528 80.20434       13.21614  69.89060       
18.35352  91.31175       19.04662  80.68761 11.51205 92.87611 10.25577 
-12.18850      15.41778 
1 1 1 -9  35 14 o 132.7155 6.785218 181.9931       18.25083  176.1284       
21.97236  195.0430       32.77629  130.0198 8.354517 135.1457 12.05280 
-5.125977      14.66520 
1 1 1 -9  35 15 f 185.1283 6.175233 352.5930       23.24757  334.9522       
43.44321  359.6717       27.51932  177.1432 12.13305 186.5637 7.253695 
-9.420441      14.13602 
1 1 1 -9  35 16 o 114.8943 7.868997 137.5949       18.27451  158.7208       
28.99704  123.6759       23.53698  121.6123 11.87693 107.6892 10.89802 
13.92313       16.11919 
1 1 1 -9  35 17 o 73.62093 11.41012 58.96568       16.52940  45.56147       
23.30705  72.52990       23.44576  62.31345 17.61182 80.12416 14.93921 
-17.81071      23.09451 
1 1 1 -9  35 18 f 31.45748 13.59046 0.6749387      15.90510  -1.463206      
22.82873  2.691846       22.17207  36.07047 15.91558 37.22004 16.06312 
-1.149563      22.61259 
1 1 1 -9  35 19 o 45.60036 15.28902 23.66444       16.70896  35.48903       
24.53989  13.44423       22.81442  54.08091 18.52658 41.71281 17.02111 
12.36810       25.15855 
1 1 1 -9  35 20 f 39.84876 15.33109 16.04600       17.50302  -15.84944      
24.84628  47.46693       24.66077  31.88902 14.98992 59.95020 18.43556 
-28.06119      23.76064 
1 1 1 -9  35 21 o 32.88275 14.10850 5.162489       16.91373  -13.08145      
25.26035  19.98906       22.77197  32.12191 15.10419 42.65265 17.14898 
-10.53074      22.85222 
1 1 1 -9  36 1  o 173.6774 6.795419 310.3565       23.99998  340.0462       
34.68441  283.0821       33.24363  180.5602 9.479435 164.4715 9.986814 
16.08867       13.76939 
1 1 1 -9  36 2  o 108.1197 8.765833 121.8868       19.10709  102.6972       
26.09897  144.0517       28.04934  97.49842 13.52813 116.3911 12.02420 
-18.89271      18.09949 
1 1 1 -9  36 3  o 67.76509 12.66530 49.91139       16.81139  42.71398       
23.45320  57.51770       24.11021  61.61448 17.75067 71.46287 16.86290 
-9.848389      24.48354 
1 1 1 -9  36 4  o 122.8834 7.874146 156.4327       19.57298  153.7888       
27.76062  159.0462       27.60084  120.6042 11.45676 122.7770 11.17727 
-2.172813      16.00590 
1 1 1 -9  36 5  o 250.9380 6.178149 646.1056       31.52653  610.1854       
44.10967  683.6177       45.07655  242.6648 8.938724 257.0184 8.624521 
-14.35356      12.42108 
1 1 1 -9  36 6  o 119.1626 8.405049 147.5177       20.23664  136.6425       
29.13512  157.6550       28.12923  113.0433 12.90552 122.1227 11.46095 
-9.079376      17.25995 
1 1 1 -9  36 7  o 131.9742 3.998092 177.7818       10.72984  182.0473       
14.10867  171.9303       16.52471  133.3690 5.202113 129.4166 6.279027 
3.952332       8.154027 
1 1 1 -9  36 8  o 107.0774 4.820138 117.2530       10.49564  124.7605       
14.02143  107.6856       15.82845  110.0556 6.291218 101.8861 7.696404 
8.169464       9.940527 
1 1 1 -9  36 9  o 159.6999 4.309260 260.5552       13.99454  259.1505       
19.21338  262.1426       20.42465  158.9280 5.945000 159.7577 6.286972 
-0.8296967     8.652689 
1 1 1 -9  36 10 o 114.9091 5.320671 135.2731       12.43289  142.2769       
16.93714  127.0894       18.30834  117.2871 7.135224 110.5205 8.204743 
6.766586       10.87333 
1 1 1 -9  36 11 o 80.10380 7.461172 66.80697       12.01398  87.30746       
16.29399  42.38476       17.78433  91.25208 8.893831 61.64170 14.44069 
29.61037       16.95977 
1 1 1 -9  36 12 o 44.22328 12.42559 21.40086       11.63700  17.13544       
15.62368  26.71577       17.44014  41.77208 14.75266 49.45205 15.55263 
-7.679966      21.43654 
1 1 1 -9  36 13 o 107.2010 6.428791 118.7458       13.94984  125.9780       
19.51264  111.1853       19.95077  109.6708 8.823984 102.6849 9.668192 
6.985878       13.08956 
1 1 1 -9  36 14 o 128.1078 6.931946 169.9101       17.99133  166.4611       
21.86141  177.1484       31.67033  126.2031 8.569150 128.4271 12.27630 
-2.224060      14.97123 
1 1 1 -9  36 15 o 51.09244 15.36349 29.20691       17.25831  -8.428856      
30.71034  46.57901       20.86461  39.87578 17.96509 63.77007 16.08994 
-23.89429      24.11702 
1 1 1 -9  36 16 o 147.9425 6.863543 226.4410       20.64870  281.7256       
34.42731  195.3795       25.80548  162.8865 10.44872 136.1188 9.379972 
26.76776       14.04136 
1 1 1 -9  36 17 o 51.78478 14.54291 30.70070       15.94493  27.27699       
23.01219  33.86229       22.11371  50.11539 17.88227 54.08939 17.56718 
-3.973999      25.06754 
1 1 1 -9  36 18 o 33.02090 13.91095 4.182668       15.93442  -31.71786      
23.02028  37.20599       22.07855  27.55135 13.34169 55.57763 17.50227 
-28.02628      22.00750 
1 1 1 -9  36 19 o 54.51283 14.67428 35.74043       16.62708  22.88664       
24.45716  46.78683       22.67259  46.32671 18.03835 60.78764 17.43544 
-14.46093      25.08738 
1 1 1 -9  36 20 f 32.22117 13.78734 4.445626       16.07428  -18.84675      
24.52203  21.99450       21.28503  30.52530 14.50974 43.81857 16.89297 
-13.29327      22.26892 
1 1 1 -9  36 21 f 52.99636 14.72155 36.29203       16.43260  37.03594       
25.75872  35.78151       21.33872  50.73923 18.79779 50.81764 17.27664 
-0.7841110E-01 25.53115 
1 1 1 -9  37 1  o 104.7920 9.556714 115.4486       20.14119  100.9269       
28.68508  129.5700       28.28697  95.52841 15.28139 109.6365 12.93679 
-14.10810      20.02202 
1 1 1 -9  37 2  o 124.2343 7.974938 160.3217       20.04102  144.6837       
27.12879  179.1083       29.73470  116.6211 11.59300 129.9690 11.36477 
-13.34788      16.23440 
1 1 1 -9  37 3  o 83.32355 10.76035 73.88506       17.80649  76.54488       
24.51372  70.91394       25.90850  83.18227 15.04580 79.35126 16.58988 
3.831009       22.39643 
1 1 1 -9  37 4  o 93.62914 9.856884 92.37032       18.48541  80.56931       
27.21703  102.4755       25.18563  84.84849 16.36722 97.46220 13.03413 
-12.61372      20.92306 
1 1 1 -9  37 5  o 39.38258 15.03416 12.51042       16.75013  8.461568       
25.00097  15.80804       22.56275  42.60890 17.64737 44.68759 17.34637 
-2.078690      24.74523 
1 1 1 -9  37 6  o 121.1271 8.157605 152.4753       19.97649  147.4848       
28.38192  157.3747       28.12191  117.6436 12.03312 121.7988 11.48980 
-4.155251      16.63765 
1 1 1 -9  37 7  o 24.12913 8.397113 5.429467       5.050425  4.215336       
5.177588  29.23995       22.92867  22.75304 8.428051 52.55741 17.90853 
-29.80437      19.79261 
1 1 1 -9  37 8  o 40.93839 10.01485 18.18927       8.268735  13.46245       
10.24012  27.04649       14.01745  36.30519 11.96227 49.50903 13.53516 
-13.20383      18.06368 
1 1 1 -9  37 9  o 33.54774 11.43894 11.09326       9.354787  16.20156       
12.10515  3.519251       14.73991  39.56255 13.00465 32.38866 13.49349 
7.173893       18.74020 
1 1 1 -9  37 10 o 127.8287 5.010594 167.3810       13.02474  169.5766       
17.77268  164.8336       19.14309  128.0785 6.848593 126.0627 7.501365 
2.015831       10.15745 
1 1 1 -9  37 11 o 91.00253 7.785906 86.37236       14.26963  94.38422       
16.81904  65.78903       26.95830  94.83101 8.822875 75.46757 17.84667 
19.36344       19.90846 
1 1 1 -9  37 12 o 94.08224 6.867348 91.83047       13.04781  92.74868       
18.07758  90.83195       18.85153  93.66988 9.627509 92.47653 10.19389 
1.193344       14.02157 
1 1 1 -9  37 13 o 62.24833 10.42959 41.80826       12.73518  60.98538       
17.40467  19.70875       18.68381  74.93537 11.81287 44.66799 16.09444 
30.26738       19.96434 
1 1 1 -9  37 14 o 127.8422 7.056405 169.5367       18.27361  188.8269       
22.35299  130.6699       31.72907  134.4762 8.213460 108.5736 14.75287 
25.90260       16.88514 
1 1 1 -9  37 15 o 24.61462 11.80013 -21.91942      16.96266  -23.45070      
32.81448  -21.36104      19.81549  37.17675 17.39563 27.54822 13.07963 
9.628527       21.76429 
1 1 1 -9  37 16 o 132.6604 7.456245 183.6539       20.03311  204.3204       
32.36533  170.8187       25.50636  137.4527 11.69010 126.6447 9.984980 
10.80803       15.37395 
1 1 1 -9  37 17 o 46.53074 14.80090 24.56743       15.75828  33.42323       
23.21751  17.00335       21.45754  53.37300 18.02178 43.31863 16.88795 
10.05436       24.69792 
1 1 1 -9  37 18 f 132.1516 7.206304 183.6609       19.29272  201.2858       
28.08018  167.9023       26.55198  136.1358 10.21776 123.9501 10.63719 
12.18572       14.74966 
1 1 1 -9  37 19 o 80.94342 10.49720 73.16962       16.87163  56.56349       
24.72014  87.65025       23.08397  65.45818 18.00711 86.24210 13.61428 
-20.78393      22.57443 
1 1 1 -9  37 20 o 38.12601 14.68618 15.72372       16.07676  6.577827       
23.50569  23.76257       22.03724  36.92015 16.22536 44.13802 17.14034 
-7.217865      23.60198 
1 1 1 -9  38 1  o 139.0883 7.801340 201.1177       21.97631  216.5145       
30.42877  184.3303       31.77319  143.0631 10.53345 131.1593 12.04737 
11.90382       16.00290 
1 1 1 -9  38 2  o 150.0785 7.285595 232.7752       22.23489  208.7982       
29.81212  262.8331       33.37910  140.5689 10.50516 157.8170 10.46016 
-17.24808      14.82475 
1 1 1 -9  38 3  o 95.55070 10.07897 96.63110       19.28852  92.12875       
27.85382  100.7795       26.73665  90.87445 15.63665 95.86749 14.13910 
-4.993042      21.08125 
1 1 1 -9  38 4  o 43.45270 15.09367 19.05843       16.31401  26.88514       
22.06740  9.625279       24.22645  50.64637 17.55671 42.42804 17.45232 
8.218327       24.75524 
1 1 1 -9  38 5  o 47.90347 14.79090 25.05736       15.85557  60.40247       
23.08531  -6.504679      21.81491  73.13580 15.96981 34.16241 15.28560 
38.97339       22.10620 
1 1 1 -9  38 6  o 83.87430 10.76893 75.06482       17.94338  103.7065       
25.98186  48.94816       24.81019  97.64129 13.44169 65.17014 18.08398 
32.47115       22.53241 
1 1 1 -9  38 7  o 127.6246 3.506925 166.2256       9.101487  166.9881       
9.606823  159.5448       28.43705  127.8911 3.693924 122.3431 11.56743 
5.547981       12.14292 
1 1 1 -9  38 8  o 78.48869 5.976040 63.68095       9.466654  61.00092       
11.86047  68.38540       15.71400  76.38424 7.742648 80.28045 9.830983 
-3.896210      12.51387 
1 1 1 -9  38 9  o 82.23775 6.370598 70.05051       10.57063  83.22343       
13.77576  51.18781       16.48453  89.33424 7.657092 68.42494 12.29920 
20.90929       14.48797 
1 1 1 -9  38 10 o 205.8495 4.252901 433.4029       17.80273  410.4428       
24.30478  459.9818       26.15010  199.7463 5.983586 211.4164 6.082515 
-11.67010      8.532309 
1 1 1 -9  38 11 o 113.4511 6.660527 133.2773       15.29889  129.7824       
18.01575  142.3147       28.97084  111.5052 7.998353 114.6609 12.63468 
-3.155640      14.95356 
1 1 1 -9  38 12 o 48.46996 15.06235 26.02312       16.41299  26.02312       
16.41299  0.000000       0.000000  48.46996 15.06235 ?        ?        
0.000000       15.06235 
1 1 1 -9  38 13 o 191.2120 5.572547 375.9291       21.66807  357.8082       
26.27315  414.4659       38.31416  185.9746 6.947156 198.6911 9.482642 
-12.71652      11.75515 
1 1 1 -9  38 14 o 125.5430 6.393561 163.1567       16.26848  217.6058       
23.66843  114.3948       22.39829  144.2853 8.099456 103.2959 10.82380 
40.98940       13.51872 
1 1 1 -9  38 15 o 95.31326 9.984488 97.13100       19.06497  85.02987       
36.97028  101.5148       22.25190  82.08926 21.78553 96.68720 11.54576 
-14.59795      24.65591 
1 1 1 -9  38 16 o 122.4745 7.181870 156.7981       17.80866  170.2006       
26.34315  145.5178       24.16773  125.7871 10.39170 116.2939 10.32690 
9.493240       14.65033 
1 1 1 -9  38 17 o 108.3644 8.086055 124.4852       17.69032  160.8298       
25.50484  90.78957       24.55781  121.6759 10.40797 88.86240 14.05774 
32.81354       17.49130 
1 1 1 -9  38 18 o 33.81247 14.06397 6.811249       15.97585  -4.813845      
23.69267  16.50384       21.63394  34.33794 15.59433 41.83296 16.75179 
-7.495018      22.88680 
1 1 1 -9  38 19 o 28.29750 12.78562 -3.335431      15.68598  -18.18211      
23.59804  8.417517       20.99591  29.86122 14.20565 36.76284 15.74471 
-6.901613      21.20605 
1 1 1 -9  38 20 o 27.04987 12.37075 -4.366022      15.24410  -20.71896      
23.07364  8.300667       20.30719  28.30546 13.61958 35.47044 15.34026 
-7.164980      20.51381 
1 1 1 -9  39 1  o 111.0043 8.832794 129.5055       19.77341  134.5424       
27.59010  124.1861       28.35316  111.4580 12.38207 106.4982 13.38794 
4.959854       18.23603 
1 1 1 -9  39 2  o 47.35435 15.76313 24.15812       17.76465  4.831188       
24.44020  45.80661       25.86646  40.21218 17.09828 62.58562 18.80630 
-22.37344      25.41708 
1 1 1 -9  39 3  o 115.8439 8.706166 140.6616       20.35934  193.7148       
30.28144  96.89581       27.50351  134.8289 11.14430 93.22713 15.01768 
41.60175       18.70096 
1 1 1 -9  39 4  o 71.42882 12.41474 55.85485       17.37825  40.57593       
23.94337  72.86410       25.26280  59.39260 18.14905 80.13759 16.06164 
-20.74499      24.23560 
1 1 1 -9  39 5  o 60.34875 13.96366 40.82119       16.79641  44.99861       
22.99006  36.03863       24.59891  62.40358 17.44069 56.57084 18.53561 
5.832745       25.45086 
1 1 1 -9  39 6  o 116.8083 8.411417 142.6683       19.84620  145.9394       
28.52880  139.6008       27.62647  116.4012 12.23556 113.8833 12.11531 
2.517937       17.21888 
1 1 1 -9  39 7  o 115.3376 8.862026 139.5758       20.62630  138.7192       
28.76323  140.4827       29.59452  113.1738 12.71824 113.7297 13.03153 
-0.5558472     18.20918 
1 1 1 -9  39 8  o 51.69407 6.606658 28.00289       6.786171  28.59849       
7.547416  25.48913       15.50542  52.07623 7.329854 47.97734 14.59294 
4.098888       16.33036 
1 1 1 -9  39 9  o 42.14654 11.32964 19.52280       9.919560  20.89467       
12.23740  16.89434       16.93887  43.61503 12.89664 41.96057 15.29302 
1.654461       20.00500 
1 1 1 -9  39 10 o 141.5290 4.981411 205.4866       14.33670  204.7753       
19.70185  206.2871       20.90162  140.7166 6.885099 140.9030 7.319926 
-0.1864166     10.04917 
1 1 1 -9  39 11 o 80.10148 8.788428 67.83113       14.08023  60.16770       
16.53176  88.07594       26.86979  74.47826 11.26744 88.22591 15.54463 
-13.74765      19.19872 
1 1 1 -9  39 12 o 43.24126 13.11709 20.55172       12.54003  18.31948       
16.48959  23.61331       19.31138  42.60700 15.14431 47.19173 16.42016 
-4.584728      22.33767 
1 1 1 -9  39 13 o 142.6976 6.402479 210.4054       18.57874  206.7652       
22.60495  217.9830       32.61435  140.6501 7.935774 142.4417 11.35383 
-1.791580      13.85229 
1 1 1 -9  39 14 o 60.71457 12.02550 40.95926       14.32218  18.19901       
19.71321  66.40367       20.84324  43.64084 16.38972 76.81216 13.85361 
-33.17132      21.46032 
1 1 1 -9  39 15 o 73.59679 15.21787 62.82587       22.02320  0.000000       
0.000000  62.82587       22.02320  ?        ?        73.59679 15.21787 
0.000000       15.21787 
1 1 1 -9  39 16 o 155.9359 6.161104 252.4742       19.53692  261.7350       
27.58302  243.1508       27.67597  156.9708 8.674814 150.9916 9.055429 
5.979187       12.54006 
1 1 1 -9  39 17 o 54.81201 14.01592 35.78483       15.68371  46.06145       
22.15867  25.46835       22.20161  60.37740 17.21018 47.12085 17.45278 
13.25655       24.51101 
1 1 1 -9  39 18 f 107.9628 11.84834 133.5270       25.58497  133.5270       
25.58497  0.000000       0.000000  107.9628 11.84834 ?        ?        
0.000000       11.84834 
1 1 1 -9  39 19 o 62.77450 13.22785 48.48545       16.35320  37.82434       
24.01246  57.70712       22.33263  51.40638 18.27488 65.18703 16.75542 
-13.78065      24.79346 
1 1 1 -9  40 1  f 51.41100 15.55966 30.02362       17.65987  26.79838       
23.83830  33.94673       26.29112  50.34314 18.17353 54.97238 19.15731 
-4.629234      26.40605 
1 1 1 -9  40 2  o 55.67638 15.51640 35.54815       18.22386  52.14967       
26.31339  20.24494       25.26353  66.14706 18.71950 47.40986 18.36857 
18.73720       26.22640 
1 1 1 -9  40 3  o 56.33345 14.69131 36.13264       17.00449  46.43565       
23.49783  24.80488       24.63869  62.90947 17.64998 49.62346 18.38455 
13.28601       25.48555 
1 1 1 -9  40 4  o 44.69678 15.50352 20.84638       17.20903  12.05118       
25.23294  28.49489       23.53062  43.61005 17.85994 51.44279 18.11166 
-7.832745      25.43638 
1 1 1 -9  40 5  o 30.24478 13.22919 -1.556809      15.46418  -24.13762      
21.75208  21.51890       21.98916  28.60582 13.61697 46.88198 17.36813 
-18.27617      22.06975 
1 1 1 -9  40 6  o 67.82174 12.90754 51.01178       17.15144  79.33782       
25.41586  27.32541       23.24133  83.66347 15.50999 50.68711 17.98334 
32.97636       23.74784 
1 1 1 -9  40 7  o 232.5779 6.422067 558.4658       30.37349  533.4084       
43.02495  583.3599       42.88460  225.3651 9.388201 236.0362 8.934523 
-10.67113      12.96009 
1 1 1 -9  40 8  f 123.3694 4.075982 155.7263       10.22565  152.8127       
10.88787  177.5157       29.77515  122.1501 4.383265 128.5052 11.51632 
-6.355103      12.32229 
1 1 1 -9  40 9  o 61.07264 8.661366 39.72089       10.45545  32.64381       
12.87591  53.42027       17.91436  54.21616 11.99640 69.23223 13.20645 
-15.01607      17.84163 
1 1 1 -9  40 10 o 67.68697 11.56498 50.18195       15.34675  65.15829       
28.17580  43.86468       18.29946  73.76208 18.74516 61.96304 14.73776 
11.79903       23.84496 
1 1 1 -9  40 11 f 45.54574 13.60866 23.11976       13.57278  24.39348       
15.83192  19.58752       26.36469  46.85254 14.82825 47.39630 18.64857 
-0.5437660     23.82532 
1 1 1 -9  40 12 o 87.18922 8.998353 80.65089       15.72490  71.37269       
17.97897  110.8499       32.43612  81.04871 11.20855 97.81222 16.91975 
-16.76351      20.29556 
1 1 1 -9  40 13 o 84.32104 8.664979 75.38750       14.64647  68.83134       
19.39236  84.09361       22.34692  78.82707 12.51603 86.99871 13.03267 
-8.171638      18.06935 
1 1 1 -9  40 14 o 170.8562 5.465343 301.1134       18.98889  294.6682       
26.69256  307.7173       27.01911  167.7652 7.824145 171.4875 7.747953 
-3.722336      11.01127 
1 1 1 -9  40 15 o 33.98172 15.11734 -2.352935      21.01107  0.000000       
0.000000  -2.352935      21.01107  ?        ?        33.98172 15.11734 
0.000000       15.11734 
1 1 1 -9  40 16 o 98.73521 8.585967 104.5404       17.06740  114.1608       
24.13999  94.92479       24.13392  100.8211 12.01065 90.76042 13.48615 
10.06071       18.05912 
1 1 1 -9  40 17 o 45.14998 14.66772 24.61992       15.41600  29.46408       
21.99826  19.94526       21.60996  48.57243 17.46770 43.11570 16.90921 
5.456730       24.31136 
1 1 1 -9  40 18 o 29.45480 13.05425 0.2609389      15.52548  8.051268       
22.41674  -6.920705      21.52319  36.87421 16.03218 31.16940 14.41463 
5.704807       21.55951 
1 1 1 -9  40 19 o 31.01533 13.49004 4.449123       15.88348  11.74720       
23.51745  -1.672166      21.53811  37.67373 16.40050 32.04973 14.67461 
5.623993       22.00728 
1 1 1 -9  41 1  o 80.04346 11.83296 70.28500       18.68006  84.70717       
26.18294  55.33398       26.65868  85.91454 15.55937 67.54662 18.74631 
18.36792       24.36223 
1 1 1 -9  41 2  o 113.2956 8.979568 135.7242       20.51861  167.7235       
28.39849  100.7735       29.67925  124.6584 11.32629 93.56820 16.18385 
31.09025       19.75353 
1 1 1 -9  41 3  f 33.51598 14.11227 3.749930       16.38538  -5.096988      
22.24652  14.23996       24.22448  34.50058 15.43655 43.76698 17.65558 
-9.266396      23.45222 
1 1 1 -9  41 4  o 60.11988 14.13135 41.15649       16.98475  51.06748       
23.71664  30.72158       24.33543  65.66183 17.45988 52.60218 18.42540 
13.05965       25.38391 
1 1 1 -9  41 5  o 99.70601 9.390909 105.5390       18.81627  115.5372       
26.54532  95.44250       26.67560  102.4513 13.03677 92.03017 14.75219 
10.42111       19.68717 
1 1 1 -9  41 6  f 83.44176 11.81119 76.02391       19.48161  72.79692       
27.44052  79.30347       27.66314  78.53811 17.61556 82.39399 17.07147 
-3.855881      24.53045 
1 1 1 -9  41 7  o 149.5776 7.563429 233.3961       22.93106  228.8210       
32.95870  237.6887       31.92483  145.9350 11.19130 149.1612 10.59388 
-3.226242      15.41024 
1 1 1 -9  41 8  o 279.2438 3.887761 797.8399       22.07672  821.8286       
24.68870  702.1249       49.31567  283.2195 4.286706 258.0764 9.396912 
25.14304       10.32849 
1 1 1 -9  41 9  o 122.8336 4.173259 154.5399       10.42423  164.1175       
12.10965  127.1367       20.48349  126.4565 4.709110 109.4938 9.287027 
16.96268       10.41271 
1 1 1 -9  41 10 o 77.51844 10.63951 65.06064       16.32937  36.82696       
29.21232  77.89227       19.69351  56.64199 20.15450 84.37561 11.80059 
-27.73362      23.35503 
1 1 1 -9  41 11 o 70.26801 10.17722 53.41465       14.11908  44.96608       
16.65043  75.03802       26.63762  63.04194 13.40087 79.86855 16.92673 
-16.82660      21.58929 
1 1 1 -9  41 12 o 91.80084 8.842920 89.51241       16.30378  70.28774       
18.55165  154.7343       34.17039  79.93471 11.76478 117.0188 14.68289 
-37.08411      18.81482 
1 1 1 -9  41 13 o 91.11647 8.104557 87.80375       14.86003  69.23485       
19.66096  112.5447       22.69445  78.62685 12.73182 101.5866 11.17029 
-22.95980      16.93738 
1 1 1 -9  41 14 o 66.85360 11.48156 49.85595       15.04672  49.85812       
20.80247  49.85357       21.79045  64.43608 15.95903 64.07586 16.59210 
0.3602219      23.02148 
1 1 1 -9  41 15 o 118.5649 10.51897 154.0778       25.09849  0.000000       
0.000000  154.0778       25.09849  ?        ?        118.5649 10.51897 
0.000000       10.51897 
1 1 1 -9  41 16 o 118.5111 7.567759 149.6142       18.14282  156.6580       
25.70550  142.6224       25.61042  118.5813 10.77772 112.5953 11.33956 
5.985977       15.64432 
1 1 1 -9  41 17 o 26.70434 12.28989 -6.504033      15.37376  -19.19225      
21.31823  7.245109       22.19161  27.84502 13.31691 36.65756 15.94475 
-8.812540      20.77439 
1 1 1 -9  41 18 o 63.48690 13.11796 50.16632       16.37549  82.57217       
24.28888  23.16187       22.17244  79.00900 15.67087 42.66097 17.00093 
36.34803       23.12158 
1 1 1 -9  42 1  o 54.68353 15.69513 35.02121       18.36683  17.27306       
24.05671  59.82463       28.43907  44.73717 17.74627 69.41732 19.39663 
-24.68015      26.28990 
1 1 1 -9  42 2  o 116.3516 8.999899 143.5867       21.12859  160.7530       
28.90151  123.8805       30.96587  121.3592 11.86276 104.2994 15.03415 
17.05984       19.15074 
1 1 1 -9  42 3  f 91.33890 10.38477 89.97112       18.94585  55.33604       
25.25203  134.5754       28.65673  67.64594 18.02984 110.2507 13.03404 
-42.60474      22.24773 
1 1 1 -9  42 4  o 126.0772 8.015273 166.9339       20.44301  162.0224       
28.58313  172.0772       29.24995  122.0776 11.65552 125.9046 11.55324 
-3.826988      16.41123 
1 1 1 -9  42 5  o 119.1577 8.609926 149.8792       20.72237  156.3620       
29.18068  143.2840       29.43266  119.5897 12.16868 113.9303 12.93312 
5.659332       17.75787 
1 1 1 -9  42 6  f 51.72866 15.09751 30.82904       16.86776  44.08942       
24.44571  18.77792       23.30443  60.55571 18.30196 45.35359 17.62239 
15.20211       25.40689 
1 1 1 -9  42 7  o 144.7594 7.714532 219.3641       22.62759  198.8612       
32.55184  238.5338       31.47577  135.1152 11.97126 149.2240 10.43831 
-14.10876      15.88299 
1 1 1 -9  42 8  o 111.9784 4.142161 128.4906       9.432191  122.2374       
9.962249  182.6067       29.30688  109.1459 4.488472 129.9530 11.19938 
-20.80709      12.06535 
1 1 1 -9  42 9  f 62.68883 7.193472 41.40298       9.004189  44.05768       
9.620991  22.66784       25.55884  64.60787 7.460032 48.12202 18.52282 
16.48585       19.96865 
1 1 1 -9  42 10 o 109.7674 8.112309 126.9331       17.97965  151.1570       
33.16207  116.8477       21.39759  115.7727 14.39679 104.2333 10.22673 
11.53941       17.65938 
1 1 1 -9  42 11 o 126.0791 7.876140 167.1449       20.09219  167.1449       
20.09219  0.000000       0.000000  126.0791 7.876140 ?        ?        
0.000000       7.876140 
1 1 1 -9  42 12 o 56.30629 13.36635 36.47881       15.07561  31.52922       
17.06441  54.07757       32.17714  51.84196 15.20092 64.69627 21.19942 
-12.85432      26.08608 
1 1 1 -9  42 13 o 58.14191 12.47490 38.60905       14.30779  42.47075       
19.20746  33.79496       21.44558  59.44773 15.66755 52.90781 17.30546 
6.539913       23.34419 
1 1 1 -9  42 14 o 155.0981 6.542391 251.4502       20.63453  259.0062       
32.26212  246.2195       26.84284  154.0004 10.36223 151.6480 8.741470 
2.352417       13.55688 
1 1 1 -9  42 15 o 45.45948 16.20324 24.55062       18.88874  24.05383       
35.15797  24.75220       22.39539  48.64528 20.58731 46.12362 17.43718 
2.521664       26.97949 
1 1 1 -9  42 16 f 110.2998 8.236163 132.0015       18.34032  132.7982       
24.99467  131.0722       26.99494  107.4015 11.62998 105.3742 12.86498 
2.027237       17.34255 
1 1 1 -9  42 17 o 51.65959 14.38926 34.71111       15.67679  21.07422       
22.74372  47.05454       21.63823  41.93348 17.03967 57.60598 17.17604 
-15.67250      24.19435 
1 1 1 -9  42 18 o 46.83076 14.67920 30.03884       15.55079  41.97694       
22.94434  19.89548       21.14943  51.80997 17.90545 39.84295 16.33801 
11.96702       24.23914 
1 1 1 -9  43 1  o 38.57624 15.57992 10.85306       18.88741  7.316918       
27.55889  13.98512       25.93655  41.89676 17.99346 43.75628 18.03515 
-1.859516      25.47609 
1 1 1 -9  43 2  o 68.71842 13.84019 54.11634       18.67162  36.36786       
25.00459  76.48671       28.07215  55.16352 18.70212 79.37366 17.82766 
-24.21015      25.83786 
1 1 1 -9  43 3  o 108.4907 9.143134 125.4538       19.98354  120.1371       
27.35545  131.5377       29.26285  103.5905 13.29257 108.2269 13.59637 
-4.636444      19.01457 
1 1 1 -9  43 4  o 28.76299 13.04754 -6.663087      16.52514  -14.34344      
22.90168  1.679390       23.86845  31.75883 14.75079 37.75146 16.47606 
-5.992630      22.11440 
1 1 1 -9  43 5  o 141.3011 7.978255 209.9829       22.83103  183.0378       
33.26586  233.9771       31.39151  128.5086 12.90390 147.3914 10.54304 
-18.88275      16.66332 
1 1 1 -9  43 6  o 60.23264 15.34547 42.61167       18.84902  18.34814       
26.21844  68.56750       27.11737  46.04084 18.43986 75.10075 17.99248 
-29.05991      25.76350 
1 1 1 -9  43 7  o 45.71852 15.88061 22.90206       18.05945  -11.18642      
26.47973  52.54682       24.69356  35.33125 16.21167 65.61166 17.97605 
-30.28041      24.20654 
1 1 1 -9  43 8  o 57.73852 6.006210 34.85683       6.948869  36.56061       
7.249432  15.57843       24.38554  59.11654 6.118947 43.90805 17.71358 
15.20848       18.74067 
1 1 1 -9  43 9  o 56.38878 7.934714 33.95054       8.846943  41.36422       
9.511595  -13.60359      24.08964  62.43322 7.651978 32.83766 15.20855 
29.59557       17.02506 
1 1 1 -9  43 10 o 78.80106 10.99970 68.19071       17.14586  75.18095       
31.57449  65.26740       20.41869  76.80934 20.01337 75.53513 13.80173 
1.274216       24.31096 
1 1 1 -9  43 11 o 88.00555 10.67799 84.73405       18.71823  84.73405       
18.71823  0.000000       0.000000  88.00555 10.67799 ?        ?        
0.000000       10.67799 
1 1 1 -9  43 12 o 57.30897 11.95987 37.36719       13.48747  41.68375       
17.57231  31.17813       21.04128  59.21736 14.66851 50.96458 17.15664 
8.252785       22.57245 
1 1 1 -9  43 13 o 60.36599 12.15983 41.85025       14.41088  33.67709       
19.26515  52.23331       21.71403  52.28088 16.33052 64.82203 16.44644 
-12.54115      23.17696 
1 1 1 -9  43 14 f 36.32745 14.46099 11.57585       16.02596  26.04495       
24.74486  1.121946       21.03311  47.15358 18.20426 34.40482 15.22382 
12.74875       23.73098 
1 1 1 -9  43 15 o 50.49032 16.38422 33.29092       19.23728  45.95530       
36.61092  28.46065       22.61019  55.16189 21.88899 47.19367 17.58627 
7.968216       28.07854 
1 1 1 -9  43 16 o 60.72821 13.21265 45.79389       15.85272  54.40339       
22.47369  37.26749       22.36497  62.31461 17.18058 51.01271 17.67520 
11.30190       24.64924 
1 1 1 -9  43 17 o 72.53174 11.12211 62.95807       15.88127  85.64453       
24.18116  45.75019       21.05995  79.55379 15.50459 55.51212 17.03087 
24.04167       23.03135 
1 1 1 -9  44 1  o 40.85969 15.74375 15.80666       18.47973  -0.1058482     
24.43506  37.06931       28.24573  37.03246 16.39658 55.04782 19.79361 
-18.01537      25.70282 
1 1 1 -9  44 2  o 104.7470 10.00083 118.7156       21.04358  148.0925       
29.16410  86.80825       30.39424  115.0862 12.67156 83.68301 18.36495 
31.40323       22.31232 
1 1 1 -9  44 3  o 40.26107 15.56683 14.85126       18.11553  17.81627       
24.40444  11.21244       27.03557  44.60321 17.81654 42.90313 18.09946 
1.700081       25.39724 
1 1 1 -9  44 4  o 42.01408 16.21686 16.61333       19.63384  14.98932       
28.41456  18.09718       27.16075  45.09270 18.75610 45.88013 18.62933 
-0.7874336     26.43564 
1 1 1 -9  44 5  o 119.6739 8.779600 152.4129       21.21702  162.6342       
31.16039  143.5781       28.97000  120.6401 12.90166 113.3816 12.78816 
7.258469       18.16563 
1 1 1 -9  44 6  o 104.4477 9.568354 117.2521       20.09710  112.1982       
29.75460  121.4920       27.25306  98.16961 15.41245 103.9176 13.19392 
-5.747955      20.28850 
1 1 1 -9  44 7  o 84.99233 12.75628 81.24162       21.36668  82.27328       
31.83608  80.39603       28.82231  80.54195 19.61919 80.90717 17.98438 
-0.3652115     26.61486 
1 1 1 -9  44 8  o 62.17988 5.467533 40.25906       6.843150  38.70725       
7.109184  59.83692       25.25129  60.86646 5.814411 69.55695 17.78335 
-8.690487      18.70975 
1 1 1 -9  44 9  o 79.96133 5.822660 66.60902       9.402843  67.28435       
10.09417  62.17930       25.85250  80.22764 6.236222 70.64462 17.95721 
9.583015       19.00926 
1 1 1 -9  44 10 o 47.33186 13.57526 26.09645       13.74491  26.09645       
13.74491  0.000000       0.000000  47.33186 13.57526 ?        ?        
0.000000       13.57526 
1 1 1 -9  44 11 o 100.0533 9.968809 109.1904       20.01266  109.1904       
20.01266  0.000000       0.000000  100.0533 9.968809 ?        ?        
0.000000       9.968809 
1 1 1 -9  44 12 o 54.82103 13.90625 35.97069       15.52665  50.87275       
18.36701  -1.346612      29.06500  65.22677 14.24606 38.56464 17.41622 
26.66213       22.50056 
1 1 1 -9  44 13 o 28.34987 12.74839 -3.158041      15.37984  3.541740       
18.17961  -20.02465      28.84484  33.40428 14.48049 33.21700 15.77391 
0.1872749      21.41263 
1 1 1 -9  44 14 o 71.74402 14.49151 63.71629       20.41433  57.48555       
26.35188  73.06756       32.28323  63.67519 18.94772 69.51096 21.03751 
-5.835766      28.31241 
1 1 1 -9  44 15 o 86.62131 14.87715 95.75471       25.26158  90.32748       
38.04427  100.0346       33.78443  71.84731 23.01261 80.88582 20.51029 
-9.038506      30.82616 
1 1 1 -9  44 16 o 58.54123 13.55656 44.35995       15.82076  49.02042       
23.26199  40.34892       21.58040  56.33934 17.98936 51.65680 17.37512 
4.682545       25.01023 
1 1 1 -9  44 17 o 33.08936 13.71860 11.24899       15.13043  36.69637       
22.62596  -9.336087      20.34987  47.32969 17.60119 28.06191 13.30354 
19.26778       22.06323 
1 1 1 -9  45 1  o 35.30555 16.04674 -5.541276      25.15207  -5.541276      
25.15207  0.000000       0.000000  35.30555 16.04674 ?        ?        
0.000000       16.04674 
1 1 1 -9  45 2  o 71.47049 14.66321 60.49904       20.59649  91.78971       
29.48597  30.68371       28.78245  86.13009 17.43311 51.31649 19.67960 
34.81360       26.29068 
1 1 1 -9  45 3  o 117.9035 9.129677 149.4064       21.71873  156.3874       
30.04378  141.7648       31.43316  117.7294 12.75315 110.6893 14.29897 
7.040077       19.15994 
1 1 1 -9  45 4  o 71.52919 14.18115 59.83426       19.89870  17.26779       
28.91710  98.11915       27.42424  45.66461 18.95152 91.13770 15.34239 
-45.47309      24.38338 
1 1 1 -9  45 5  o 54.06435 15.85465 35.36253       18.56263  33.49819       
27.13162  37.00317       25.45186  52.76897 19.33615 54.61989 18.85953 
-1.850918      27.01052 
1 1 1 -9  45 6  o 77.09153 12.52491 67.40128       18.96112  59.29164       
27.97867  74.28938       25.78553  67.59763 19.36260 78.01812 16.75313 
-10.42049      25.60425 
1 1 1 -9  45 7  o 40.42378 15.95867 14.69498       19.36809  25.93643       
27.58106  3.758754       27.20406  48.96307 19.13047 39.77184 17.46745 
9.191235       25.90534 
1 1 1 -9  45 8  o 32.86665 14.36557 0.9255371      18.20564  0.8435847      
27.59496  0.9887009      24.22608  38.90623 17.31541 36.99374 16.35549 
1.912487       23.81860 
1 1 1 -9  45 9  o 139.5740 4.645045 200.9154       13.18396  200.9154       
13.18396  0.000000       0.000000  139.5740 4.645045 ?        ?        
0.000000       4.645045 
1 1 1 -9  45 10 o 27.51118 12.06711 -0.5324123     12.94636  -0.5324123     
12.94636  0.000000       0.000000  27.51118 12.06711 ?        ?        
0.000000       12.06711 
1 1 1 -9  45 11 o 89.23141 9.162482 86.86745       16.38978  95.16501       
19.32176  65.57986       30.94817  92.51501 10.45367 68.19800 20.58846 
24.31701       23.09034 
1 1 1 -9  45 12 o 38.02624 13.55778 16.12924       13.22536  -2.206622      
17.89060  38.22245       19.63829  30.66316 13.77250 54.33484 16.39993 
-23.67168      21.41587 
1 1 1 -9  45 13 o 42.44060 14.25195 22.06274       14.51929  -1.876059      
22.97806  37.97329       18.73289  33.77696 15.34642 53.72761 15.97269 
-19.95065      22.15039 
1 1 1 -9  45 14 o 60.90941 12.37895 45.14779       14.81004  38.13105       
21.28502  51.73288       20.61994  51.77206 17.25545 61.62772 16.22925 
-9.855652      23.68837 
1 1 1 -9  45 15 o 54.91724 14.99065 41.30292       17.20975  56.79920       
36.09184  36.74269       19.57890  54.21216 21.66250 50.10423 16.54229 
4.107929       27.25640 
1 1 1 -9  45 16 o 19.90323 9.797897 -22.46608      13.98936  -12.98673      
21.08887  -29.91526      18.69469  27.57085 13.20145 22.40809 11.08619 
5.162760       17.23896 
1 1 1 -9  46 1  o 53.18583 20.05393 37.12808       29.57173  37.12808       
29.57173  0.000000       0.000000  53.18583 20.05393 ?        ?        
0.000000       20.05393 
1 1 1 -9  46 2  o 125.4843 12.71531 180.2633       31.99849  180.2633       
31.99849  0.000000       0.000000  125.4843 12.71531 ?        ?        
0.000000       12.71531 
1 1 1 -9  46 3  o 45.36747 16.85477 23.44210       20.73751  37.34167       
29.91291  10.58014       28.77474  53.85078 20.19616 42.28734 18.27452 
11.56344       27.23679 
1 1 1 -9  46 4  o 36.71526 15.06194 9.848825       17.98434  -2.986093      
25.32535  22.90575       25.54344  36.00012 16.25772 46.32443 18.31471 
-10.32431      24.48963 
1 1 1 -9  46 5  o 44.06235 16.10151 21.85980       18.79503  40.95363       
28.84679  7.775068       24.77566  55.84132 20.01111 39.48000 17.00939 
16.36131       26.26336 
1 1 1 -9  46 6  o 60.41777 15.83920 45.19213       19.69819  59.55635       
28.34237  31.77056       27.39660  66.52261 19.61455 51.01460 19.28616 
15.50800       27.50793 
1 1 1 -9  46 7  o 105.6234 10.04634 122.4896       21.31852  136.8189       
32.04705  111.1149       28.55252  106.9754 15.15562 96.37752 15.06145 
10.59792       21.36680 
1 1 1 -9  46 8  o 73.92202 19.84010 74.38399       30.44766  74.38399       
30.44766  0.000000       0.000000  73.92202 19.84010 ?        ?        
0.000000       19.84010 
1 1 1 -9  46 9  o 46.94115 19.26444 23.54976       29.43445  23.54976       
29.43445  0.000000       0.000000  46.94115 19.26444 ?        ?        
0.000000       19.26444 
1 1 1 -9  46 10 o 37.46802 16.05276 8.314965       21.84029  9.267238       
32.16928  7.500731       29.74646  42.28218 18.76264 40.79126 18.07447 
1.490929       26.05231 
1 1 1 -9  46 11 o 102.7353 11.33568 120.7996       23.28767  124.6606       
35.49422  117.8814       30.85784  95.68624 18.91178 96.08153 16.38084 
-0.3952866     25.01974 
1 1 1 -9  46 12 o 39.13921 14.05334 18.09830       14.23363  45.72243       
33.36874  11.95417       15.73714  54.08242 21.06668 35.51580 14.26437 
18.56662       25.44165 
1 1 1 -9  46 13 o 75.63644 12.00800 68.74461       17.85224  0.000000       
0.000000  68.74461       17.85224  ?        ?        75.63644 12.00800 
0.000000       12.00800 
1 1 1 -9  46 14 o 89.54459 9.993760 93.25314       17.88742  85.62685       
35.96516  95.75957       20.61837  66.80062 22.43069 88.77768 11.70638 
-21.97706      25.30168 
1 1 1 -9  46 15 o 46.92349 15.26875 32.40604       16.70274  37.54637       
37.47566  31.13183       18.65844  44.76755 20.03239 45.13704 16.10246 
-0.3694916     25.70187 
1 1 1 -9  46 16 o 28.87460 12.62113 5.527112       14.05366  14.50837       
21.82016  -0.8395730     18.37156  35.34139 15.57868 28.67849 13.28197 
6.662897       20.47208 
1 1 1 -9  47 1  f 56.74046 16.66191 42.61979       20.48875  41.03926       
28.77917  44.24419       29.17585  53.69460 19.87399 55.27614 20.08219 
-1.581547      28.25367 
1 1 1 -9  47 2  o 52.97435 19.36689 38.54812       27.19563  38.54812       
27.19563  0.000000       0.000000  52.97435 19.36689 ?        ?        
0.000000       19.36689 
1 1 1 -9  47 3  o 108.5694 15.84815 146.1779       33.95841  146.1779       
33.95841  0.000000       0.000000  108.5694 15.84815 ?        ?        
0.000000       15.84815 
1 1 1 -9  47 4  o 114.7325 14.18101 157.1367       32.38174  157.1367       
32.38174  0.000000       0.000000  114.7325 14.18101 ?        ?        
0.000000       14.18101 
1 1 1 -9  47 5  o 39.17768 17.42538 4.662562       27.90319  4.662562       
27.90319  0.000000       0.000000  39.17768 17.42538 ?        ?        
0.000000       17.42538 
1 1 1 -9  47 6  o 31.02372 14.89962 -25.38276      27.31707  -25.38276      
27.31707  0.000000       0.000000  31.02372 14.89962 ?        ?        
0.000000       14.89962 
1 1 1 -9  47 7  o 42.78952 18.74901 12.29088       31.18149  12.29088       
31.18149  0.000000       0.000000  42.78952 18.74901 ?        ?        
0.000000       18.74901 
1 1 1 -9  47 8  f 39.50610 17.68384 5.043141       29.22920  5.043141       
29.22920  0.000000       0.000000  39.50610 17.68384 ?        ?        
0.000000       17.68384 
1 1 1 -9  47 9  o 60.59212 7.553357 39.81230       9.104856  39.81230       
9.104856  0.000000       0.000000  60.59212 7.553357 ?        ?        
0.000000       7.553357 
1 1 1 -9  47 10 o 86.77499 6.315568 79.98992       11.06798  74.20914       
11.89139  117.4482       30.27004  83.09531 7.105609 95.25612 16.20721 
-12.16080      17.69643 
1 1 1 -9  47 11 o 87.18776 6.834066 81.68221       12.01973  74.75708       
13.07127  119.6026       30.58725  82.67413 7.869906 94.91825 16.44233 
-12.24413      18.22871 
1 1 1 -9  47 12 o 20.53562 9.872989 -13.75632      12.06664  -20.26178      
21.59361  -10.80254      14.55042  27.04214 13.05294 23.94014 11.31987 
3.102001       17.27769 
1 1 1 -9  47 13 o 47.12302 12.60657 28.67617       12.31675  9.434465       
19.27750  41.94924       16.01086  34.20718 14.86994 55.85496 14.09574 
-21.64778      20.48914 
1 1 1 -9  47 14 o 56.21273 12.08053 40.60962       13.39811  59.67754       
21.53470  28.56718       17.11371  62.41012 16.65737 43.67042 15.43829 
18.73970       22.71143 
1 1 1 -9  47 15 o 22.31372 10.81133 -15.00833      15.16847  76.21063       
36.42555  -34.14496      16.68385  54.75737 21.80031 19.73477 9.876322 
35.02259       23.93314 
1 1 1 -9  48 1  o 51.70537 16.96481 37.34805       20.60369  -2.256237      
31.04949  68.50774       27.54102  36.98184 17.17628 67.93223 19.12551 
-30.95039      25.70622 
1 1 1 -9  48 2  o 25.07091 12.11385 -21.40874      18.71786  2.745027       
26.39181  -45.85480      26.55102  36.63759 16.56638 26.35578 13.06986 
10.28182       21.10133 
1 1 1 -9  48 3  o 53.94868 20.57055 44.36755       31.33522  44.36755       
31.33522  0.000000       0.000000  53.94868 20.57055 ?        ?        
0.000000       20.57055 
1 1 1 -9  48 4  o 68.81746 19.70872 69.57672       28.99006  69.57672       
28.99006  0.000000       0.000000  68.81746 19.70872 ?        ?        
0.000000       19.70872 
1 1 1 -9  48 5  o 31.05279 14.86088 -20.50795      26.64574  -20.50795      
26.64574  0.000000       0.000000  31.05279 14.86088 ?        ?        
0.000000       14.86088 
1 1 1 -9  48 6  o 41.99363 18.19191 15.46657       28.65512  15.46657       
28.65512  0.000000       0.000000  41.99363 18.19191 ?        ?        
0.000000       18.19191 
1 1 1 -9  48 7  o 27.21879 13.45363 -43.64661      27.30321  -43.64661      
27.30321  0.000000       0.000000  27.21879 13.45363 ?        ?        
0.000000       13.45363 
1 1 1 -9  48 8  o 65.52052 20.79986 68.03921       31.13287  68.03921       
31.13287  0.000000       0.000000  65.52052 20.79986 ?        ?        
0.000000       20.79986 
1 1 1 -9  48 9  o 29.23659 10.49668 9.015249       7.940548  12.03462       
8.372233  -18.01945      25.05210  32.48040 10.82189 30.10587 14.40822 
2.374527       18.01971 
1 1 1 -9  48 10 o 108.0240 5.509581 123.3188       12.06270  120.4357       
13.03648  140.4832       31.80853  106.3357 6.053828 102.9106 15.69647 
3.425117       16.82344 
1 1 1 -9  48 11 f 102.0583 6.176769 111.6961       12.75883  103.0892       
13.74052  165.5548       34.37226  97.33347 6.988599 110.3593 15.76405 
-13.02583      17.24372 
1 1 1 -9  48 12 f 37.82676 12.79025 18.58858       11.69458  18.70168       
12.83953  18.03797       28.33062  37.78611 13.37065 39.21447 17.49179 
-1.428360      22.01674 
1 1 1 -9  48 13 o 49.11713 12.26428 31.83415       12.21249  51.16472       
19.86092  20.08151       15.48620  57.45193 16.26472 37.88271 14.45719 
19.56922       21.76123 
1 1 1 -9  48 14 o 67.53380 10.19065 56.24215       13.55962  68.30840       
21.40347  48.15251       17.52517  66.17642 16.06616 56.34980 15.02070 
9.826626       21.99415 
1 1 1 -9  49 1  o 34.12093 14.80105 8.569652       19.01881  11.00126       
28.20259  6.541501       25.75681  38.21716 17.21708 36.06576 16.33155 
2.151398       23.73073 
1 1 1 -9  49 2  o 36.58318 15.40005 12.98190       19.50463  36.97997       
30.04067  -4.507391      25.64529  48.26423 19.59394 33.18476 15.47830 
15.07947       24.96999 
1 1 1 -9  49 3  o 46.10333 16.76542 29.84610       20.34126  29.98283       
30.57557  29.73754       27.24535  45.87368 19.29466 45.68752 18.61704 
0.1861687      26.81190 
1 1 1 -9  49 4  o 60.91291 16.34571 51.49698       20.66896  56.78501       
28.38603  45.52945       30.15474  59.24790 19.92739 52.71625 20.16060 
6.531647       28.34697 
1 1 1 -9  49 5  o 50.72477 20.43424 41.83086       32.40110  41.83086       
32.40110  0.000000       0.000000  50.72477 20.43424 ?        ?        
0.000000       20.43424 
1 1 1 -9  49 6  o 42.42181 18.63516 19.63997       30.97703  19.63997       
30.97703  0.000000       0.000000  42.42181 18.63516 ?        ?        
0.000000       18.63516 
1 1 1 -9  49 7  o 47.78106 17.09970 32.99886       21.05687  27.90527       
29.81086  38.07066       29.74705  44.88231 18.97393 48.98468 19.63355 
-4.102367      27.30359 
1 1 1 -9  49 8  o 36.85149 15.37356 14.08346       19.17038  15.69036       
29.99455  12.97378       24.92574  40.31631 17.98962 38.12905 16.73360 
2.187260       24.56908 
1 1 1 -9  49 9  o 73.30508 6.097699 57.76488       9.007259  58.37238       
9.552192  52.89156       27.05464  73.45153 6.460877 55.79882 19.43416 
17.65271       20.47998 
1 1 1 -9  49 10 o 31.33771 11.46789 11.31349       9.538874  8.087345       
10.21025  33.45300       26.74718  28.97630 11.54011 45.06992 18.41487 
-16.09362      21.73204 
1 1 1 -9  49 11 o 28.00665 11.50202 6.924014       10.50211  17.01686       
11.39109  -50.27235      27.11706  36.10413 12.60835 24.67316 12.38230 
11.43097       17.67177 
1 1 1 -9  49 12 o 62.18332 21.65188 86.33173       33.58052  0.000000       
0.000000  86.33173       33.58052  ?        ?        62.18332 21.65188 
0.000000       21.65188 
1 1 1 -9  49 13 o 55.65940 8.703834 36.87678       9.528776  48.76887       
11.91930  15.81718       15.86160  63.20601 9.573153 34.07066 14.07928 
29.13535       17.02561 
1 1 1 -9  49 14 o 26.93841 11.75870 5.630063       12.16148  4.899910       
20.05093  6.054993       15.29629  29.84145 13.84004 28.54664 12.78436 
1.294813       18.84109 
1 1 1 -9  50 1  o 35.35583 14.93728 14.37951       18.45725  17.15071       
27.65837  12.15460       24.78273  38.15819 17.13264 36.00628 16.18788 
2.151917       23.57063 
1 1 1 -9  50 2  o 26.91571 12.71217 -8.644064      18.25430  -1.565440      
26.11956  -15.40239      25.52178  32.93052 15.44409 29.52477 14.23587 
3.405748       21.00428 
1 1 1 -9  50 3  o 24.60150 11.93622 -19.38961      18.65594  1.206489       
26.31508  -40.20126      26.45242  33.97007 15.78915 25.99609 12.91759 
7.973974       20.40003 
1 1 1 -9  50 4  o 24.87821 11.94736 -15.02225      17.55781  1.102493       
26.46743  -27.69505      23.46399  34.14175 15.85758 26.26820 12.88263 
7.873554       20.43098 
1 1 1 -9  50 5  o 47.92991 16.71652 34.98364       20.02043  43.06150       
31.98044  29.77769       25.67359  48.56219 20.02252 43.94750 18.00864 
4.614685       26.92977 
1 1 1 -9  50 6  o 33.31836 14.78934 6.931180       20.00154  43.92288       
28.27733  -30.10831      28.29559  49.72786 19.38675 28.54306 14.02824 
21.18480       23.92985 
1 1 1 -9  50 7  o 44.71037 16.95693 31.00810       21.22146  17.05057       
31.43192  42.70007       28.76805  39.45051 17.93367 48.58740 19.36438 
-9.136890      26.39310 
1 1 1 -9  50 8  o 70.74089 14.62250 69.02366       20.33990  74.70966       
30.82844  64.64047       27.06714  62.44291 20.76441 60.30711 19.42071 
2.135799       28.43105 
1 1 1 -9  50 9  o 96.45213 4.927062 98.73824       9.631630  100.1714       
10.24567  87.84502       28.24640  96.90479 5.218519 71.81461 19.03471 
25.09018       19.73710 
1 1 1 -9  50 10 o 78.23344 7.055501 68.35499       11.10384  69.24631       
11.89835  62.34173       30.90477  78.22207 7.574972 53.09064 20.38460 
25.13142       21.74654 
1 1 1 -9  50 11 o 59.39180 9.593762 43.03046       11.19192  43.81141       
11.96325  37.55344       31.68178  59.19846 10.31252 41.75418 18.56974 
17.44427       21.24107 
1 1 1 -9  50 12 o 29.92797 11.61762 11.20933       10.12100  10.85995       
10.85232  13.54265       28.04521  29.80373 11.88868 34.10947 15.99901 
-4.305740      19.93262 
1 1 1 -9  50 13 o 71.36568 9.389072 63.29691       13.29510  53.73190       
14.65896  107.6428       31.56366  62.31389 12.00364 68.47868 20.81889 
-6.164783      24.03151 
1 1 1 -9  51 1  o 49.93744 18.62531 51.18573       25.37197  0.000000       
0.000000  51.18573       25.37197  ?        ?        49.93744 18.62531 
0.000000       18.62531 
1 1 1 -9  51 2  o 19.73480 9.918356 -39.10098      17.71910  -65.88177      
24.75461  -10.96309      25.37407  21.26328 10.80321 29.12983 14.08208 
-7.866552      17.74864 
1 1 1 -9  51 3  o 40.50829 15.88411 26.11064       19.06691  3.568877       
26.49175  50.33710       27.46387  33.03329 15.51192 49.68055 19.17877 
-16.64726      24.66668 
1 1 1 -9  51 4  o 35.84200 15.17626 16.69277       19.12036  42.70286       
27.68098  -7.041185      26.44208  46.40758 18.81967 30.75005 14.73917 
15.65753       23.90445 
1 1 1 -9  51 5  o 28.93031 13.49917 -2.079999      19.53647  39.41308       
31.16215  -28.94911      25.07646  44.20933 19.06144 26.13839 12.91467 
18.07093       23.02449 
1 1 1 -9  51 6  o 55.62542 16.45314 49.74325       19.91471  33.90903       
29.67987  62.71001       26.85835  42.36486 18.43350 56.92046 19.38257 
-14.55561      26.74842 
1 1 1 -9  51 7  o 34.65731 15.12769 14.35769       20.12759  -23.80408      
28.75636  51.00965       28.18176  28.43338 14.00685 49.23536 19.30971 
-20.80198      23.85491 
1 1 1 -9  51 8  o 37.88258 15.70947 22.48381       19.84716  -10.85153      
30.96590  45.72567       25.85632  30.97967 15.10858 47.28191 18.50907 
-16.30225      23.89257 
1 1 1 -9  51 9  o 18.22071 8.361241 -2.681903      7.045714  -0.6506850     
7.273814  -33.55294      28.35696  19.68753 8.816468 26.30595 13.12029 
-6.618418      15.80734 
1 1 1 -9  51 10 f 26.69480 10.96874 7.238695       9.556813  6.829910       
10.15898  10.38348       28.17723  26.70173 11.16977 33.24697 15.73038 
-6.545250      19.29271 
1 1 1 -9  51 11 o 33.20355 11.73911 15.56275       9.895213  10.60301       
10.54821  51.94114       28.56743  29.12520 11.68513 44.72471 18.72178 
-15.59951      22.06914 
1 1 1 -9  51 12 o 25.00082 10.79779 5.197202       10.03406  3.748046       
10.61564  17.34626       30.73690  24.50593 10.83095 33.24035 15.92180 
-8.734423      19.25651 
1 1 1 -9  52 1  f 21.41658 10.78102 -39.09600      21.38496  0.000000       
0.000000  -39.09600      21.38496  ?        ?        21.41658 10.78102 
0.000000       10.78102 
1 1 1 -9  52 2  o 36.22395 16.28713 24.10251       25.09384  0.000000       
0.000000  24.10251       25.09384  ?        ?        36.22395 16.28713 
0.000000       16.28713 
1 1 1 -9  52 3  o 40.52638 15.96517 30.30842       19.34546  30.31408       
29.50872  30.30414       25.61901  38.16158 17.35879 38.72617 16.98094 
-0.5645905     24.28332 
1 1 1 -9  52 4  o 33.35021 14.55971 15.06678       18.65190  14.49232       
28.67013  15.48833       24.55984  34.30744 16.11884 34.14426 15.64708 
0.1631737      22.46437 
1 1 1 -9  52 5  o 32.65846 14.49536 13.10851       19.21087  3.117793       
30.98824  19.34509       24.48341  32.33986 15.61658 35.37291 15.97885 
-3.033054      22.34281 
1 1 1 -9  52 6  o 33.40198 14.93077 14.75725       20.75972  55.31683       
33.95873  -9.445294      26.23223  44.56113 19.54469 28.67808 13.96846 
15.88305       24.02317 
1 1 1 -9  52 7  o 55.01632 17.66691 58.70688       22.41129  58.01625       
35.20105  59.17764       29.06253  44.27100 19.63690 48.31803 19.39220 
-4.047024      27.59828 
1 1 1 -9  52 8  f 31.19337 14.30556 10.11247       20.58220  19.56499       
35.43041  5.297747       25.28646  34.84872 16.79538 30.88144 14.69510 
3.967278       22.31660 
1 1 1 -9  52 9  o 28.98650 14.25760 -7.724339      29.41896  0.000000       
0.000000  -7.724339      29.41896  ?        ?        28.98650 14.25760 
0.000000       14.25760 
1 1 1 -9  52 10 o 29.59294 11.27807 11.99651       9.416156  11.62648       
10.02226  14.78115       27.49384  29.29354 11.50678 32.21686 15.32839 
-2.923319      19.16678 
1 1 1 -9  53 1  f 19.87841 9.964313 -27.84078      17.30549  -49.23680      
27.19810  -13.28636      22.43208  22.28267 11.32140 24.74092 12.22242 
-2.458252      16.66018 
1 1 1 -9  53 2  o 33.99603 15.59430 24.60109       24.47601  0.000000       
0.000000  24.60109       24.47601  ?        ?        33.99603 15.59430 
0.000000       15.59430 
1 1 1 -9  53 3  o 23.32367 11.69829 -30.52961      24.03056  0.000000       
0.000000  -30.52961      24.03056  ?        ?        23.32367 11.69829 
0.000000       11.69829 
1 1 1 -9  53 4  o 26.27621 12.90411 -10.69349      23.79674  0.000000       
0.000000  -10.69349      23.79674  ?        ?        26.27621 12.90411 
0.000000       12.90411 
1 1 1 -9  53 5  o 46.80295 17.08337 48.06699       21.14842  39.88498       
35.68789  52.49533       26.25497  36.74044 17.47573 44.24292 18.17999 
-7.502480      25.21732 
1 1 1 -9  53 6  o 28.14198 13.84375 -6.219503      27.76173  0.000000       
0.000000  -6.219503      27.76173  ?        ?        28.14198 13.84375 
0.000000       13.84375 
1 1 1 -9  53 7  o 26.46166 13.12721 -14.66625      26.88166  0.000000       
0.000000  -14.66625      26.88166  ?        ?        26.46166 13.12721 
0.000000       13.12721 
1 1 1 -9  53 8  f 37.99014 17.24179 42.56955       28.90326  0.000000       
0.000000  42.56955       28.90326  ?        ?        37.99014 17.24179 
0.000000       17.24179 
1 1 1 -9  53 9  o 57.27488 20.80927 100.8872       31.32725  0.000000       
0.000000  100.8872       31.32725  ?        ?        57.27488 20.80927 
0.000000       20.80927 
1 1 1 -9  54 2  o 21.65584 10.75843 -16.73408      18.30778  3.464539       
30.45479  -28.16384      22.90938  27.89092 13.85935 22.04741 11.10619 
5.843508       17.76032 
1 1 1 -9  54 3  o 23.15450 11.60821 -22.34663      23.52912  0.000000       
0.000000  -22.34663      23.52912  ?        ?        23.15450 11.60821 
0.000000       11.60821 
1 1 1 -9  54 4  o 36.92486 16.61946 42.56470       26.20758  0.000000       
0.000000  42.56470       26.20758  ?        ?        36.92486 16.61946 
0.000000       16.61946 
1 1 1 -9  54 5  o 26.34126 13.04812 -6.046934      26.19223  0.000000       
0.000000  -6.046934      26.19223  ?        ?        26.34126 13.04812 
0.000000       13.04812 
1 1 1 -9  54 6  o 25.57653 12.64912 -7.624424      24.25524  0.000000       
0.000000  -7.624424      24.25524  ?        ?        25.57653 12.64912 
0.000000       12.64912 
1 1 1 -9  54 7  o 27.20159 13.33845 1.965798       25.12479  0.000000       
0.000000  1.965798       25.12479  ?        ?        27.20159 13.33845 
0.000000       13.33845 
1 1 1 -8  0  1  o 864.7202 10.52151 7617.645       184.9525  7617.645       
184.9525  7617.645       184.9525  864.7202 10.52151 864.7202 10.52151 
-0.000000      0.000000 
1 1 1 -8  0  2  o 90.36559 9.153269 85.65361       16.42455  85.65361       
16.42455  85.65361       16.42455  90.36559 9.153269 90.36559 9.153269 
-0.000000      0.000000 
1 1 1 -8  0  3  o 261.3800 7.204443 696.7795       38.22763  696.7795       
38.22763  696.7795       38.22763  261.3800 7.204443 261.3800 7.204443 
0.000000       0.000000 
1 1 1 -8  0  4  o 25.76437 15.05391 7.994888       13.13744  7.994888       
13.13744  7.994888       13.13744  25.76437 15.05391 25.76437 15.05391 
0.000000       0.000000 
1 1 1 -8  0  5  o 55.91968 14.96217 37.96215       14.70228  37.96215       
14.70228  37.96215       14.70228  55.91968 14.96217 55.91968 14.96217 
0.000000       0.000000 
1 1 1 -8  0  6  o 1063.110 12.68629 11522.83       274.1732  11522.83       
274.1732  11522.83       274.1732  1063.110 12.68629 1063.110 12.68629 
0.000000       0.000000 
1 1 1 -8  0  7  o 216.0859 5.191438 475.7503       22.78238  475.7503       
22.78238  475.7503       22.78238  216.0859 5.191438 216.0859 5.191438 
-0.000000      0.000000 
1 1 1 -8  0  8  o 205.6311 5.376228 430.9622       22.44639  430.9622       
22.44639  430.9622       22.44639  205.6311 5.376228 205.6311 5.376228 
-0.000000      0.000000 
1 1 1 -8  0  9  f 84.16933 8.839805 74.44581       14.74839  74.44581       
14.74839  74.44581       14.74839  84.16933 8.839805 84.16933 8.839805 
-0.000000      0.000000 
1 1 1 -8  0  10 o 30.25112 16.46785 13.09112       14.33111  13.09112       
14.33111  13.09112       14.33111  30.25112 16.46785 30.25112 16.46785 
-0.000000      0.000000 
1 1 1 -8  0  11 o 427.4565 6.568881 1859.948       57.06943  1859.948       
57.06943  1859.948       57.06943  427.4565 6.568881 427.4565 6.568881 
-0.000000      0.000000 
1 1 1 -8  0  12 o 514.2733 7.342458 2692.396       76.75159  2692.396       
76.75159  2692.396       76.75159  514.2733 7.342458 514.2733 7.342458 
-0.000000      0.000000 
1 1 1 -8  0  13 o 372.4961 9.245735 1415.097       69.93743  1415.097       
69.93743  1415.097       69.93743  372.4961 9.245735 372.4961 9.245735 
0.000000       0.000000 
1 1 1 -8  0  14 o 290.4676 6.423946 859.7689       37.90280  859.7689       
37.90280  859.7689       37.90280  290.4676 6.423946 290.4676 6.423946 
-0.000000      0.000000 
1 1 1 -8  0  15 o 312.6736 9.192811 998.7437       58.33654  998.7437       
58.33654  998.7437       58.33654  312.6736 9.192811 312.6736 9.192811 
-0.000000      0.000000 
1 1 1 -8  0  16 o 29.60950 17.86460 8.852095       19.63676  8.852095       
19.63676  8.852095       19.63676  29.60950 17.86460 29.60950 17.86460 
-0.000000      0.000000 
1 1 1 -8  0  17 o 118.7836 9.477669 146.7771       22.55808  146.7771       
22.55808  146.7771       22.55808  118.7836 9.477669 118.7836 9.477669 
-0.000000      0.000000 
1 1 1 -8  0  18 o 61.38150 18.86330 48.37569       20.59019  48.37569       
20.59019  48.37569       20.59019  61.38150 18.86330 61.38150 18.86330 
-0.000000      0.000000 
1 1 1 -8  0  19 o 115.8062 10.11899 140.4752       23.41128  140.4752       
23.41128  140.4752       23.41128  115.8062 10.11899 115.8062 10.11899 
-0.000000      0.000000 
1 1 1 -8  0  20 o 52.37503 21.11525 39.83784       21.93358  39.83784       
21.93358  39.83784       21.93358  52.37503 21.11525 52.37503 21.11525 
-0.000000      0.000000 
1 1 1 -8  0  21 f 110.9147 17.01526 137.1882       35.69325  137.1882       
35.69325  137.1882       35.69325  110.9147 17.01526 110.9147 17.01526 
-0.000000      0.000000 
1 1 1 -8  0  22 o 165.3415 8.880179 283.2835       29.66084  283.2835       
29.66084  283.2835       29.66084  165.3415 8.880179 165.3415 8.880179 
0.000000       0.000000 
1 1 1 -8  0  23 o 65.59991 21.00466 57.85354       24.70672  57.85354       
24.70672  57.85354       24.70672  65.59991 21.00466 65.59991 21.00466 
0.000000       0.000000 
1 1 1 -8  0  24 o 41.49145 22.16714 28.74521       25.51662  28.74521       
25.51662  28.74521       25.51662  41.49145 22.16714 41.49145 22.16714 
-0.000000      0.000000 
1 1 1 -8  0  25 o 167.4923 13.35999 308.2349       44.83831  308.2349       
44.83831  308.2349       44.83831  167.4923 13.35999 167.4923 13.35999 
0.000000       0.000000 
1 1 1 -8  0  26 o 29.99658 19.23282 10.35190       26.55717  10.35190       
26.55717  10.35190       26.55717  29.99658 19.23282 29.99658 19.23282 
-0.000000      0.000000 
1 1 1 -8  1  1  o 124.8369 4.609849 158.5475       11.70257  149.4794       
14.16147  178.0747       20.78119  121.1948 5.746096 132.0023 7.776065 
-10.80748      9.668754 
1 1 1 -8  1  2  o 789.5779 7.940600 6350.600       127.4969  6299.791       
155.0716  6456.599       223.9829  786.0554 9.701252 794.6387 13.86098 
-8.583313      16.91866 
1 1 1 -8  1  3  o 80.01702 6.924867 65.68288       11.15688  72.29281       
15.75257  59.02976       15.80398  83.68288 9.420689 75.33252 10.61047 
8.350365       14.18913 
1 1 1 -8  1  4  o 250.0731 5.046220 636.3478       25.66165  695.8193       
37.51291  584.0396       35.18131  261.4002 7.057054 239.4765 7.224332 
21.92371       10.09916 
1 1 1 -8  1  5  o 229.4708 5.002176 535.7976       23.34198  551.0987       
33.14121  520.7355       32.88142  232.6407 7.005372 226.1342 7.150441 
6.506485       10.01020 
1 1 1 -8  1  6  o 500.0816 5.627394 2544.988       57.22682  2541.034       
69.99645  2552.959       99.38095  499.5833 6.889960 500.4213 9.765982 
-0.8380737     11.95182 
1 1 1 -8  1  7  o 643.1531 5.847853 4209.461       76.48254  4191.701       
107.8000  4227.461       108.5290  641.5181 8.263392 644.2459 8.284048 
-2.727783      11.70082 
1 1 1 -8  1  8  o 410.8934 4.383949 1717.392       36.63078  1759.566       
52.62632  1677.755       51.01858  415.8159 6.223726 406.0367 6.178906 
9.779144       8.770042 
1 1 1 -8  1  9  o 379.9537 4.280786 1468.383       33.07544  1510.856       
47.52194  1428.477       46.06360  385.3396 6.064557 374.6879 6.045563 
10.65164       8.563159 
1 1 1 -8  1  10 o 275.9969 3.990038 774.7337       22.39405  774.9772       
31.55369  774.4865       31.78754  276.0018 5.621947 275.9133 5.665431 
0.8856201E-01  7.981441 
1 1 1 -8  1  11 o 1098.070 9.284844 12278.12       207.3271  12025.12       
287.4194  12552.56       299.3544  1085.915 13.01574 1109.410 13.26912 
-23.49548      18.58707 
1 1 1 -8  1  12 o 161.8114 4.775115 266.3337       15.71246  266.6248       
22.15111  266.0389       22.29112  161.8655 6.729607 161.6865 6.779640 
0.1789551      9.552546 
1 1 1 -8  1  13 o 202.2045 6.645220 416.1363       27.32446  402.7482       
38.67222  429.4835       38.61310  198.8192 9.565096 205.3260 9.247817 
-6.506821      13.30463 
1 1 1 -8  1  14 o 63.55878 11.40892 42.47253       14.20402  24.01266       
20.42019  59.77658       19.77058  50.12872 16.90141 75.37530 13.38898 
-25.24657      21.56206 
1 1 1 -8  1  15 o 432.0783 6.945228 1901.620       61.02396  1921.161       
87.26712  1882.922       85.36611  433.8940 9.890437 429.5726 9.772315 
4.321411       13.90392 
1 1 1 -8  1  16 o 368.6967 4.725184 1383.677       35.42741  1482.525       
52.18882  1299.197       48.24689  381.4251 6.728477 357.0735 6.644468 
24.35156       9.456287 
1 1 1 -8  1  17 o 176.0360 5.259763 315.6243       18.82865  315.6266       
26.46336  315.6219       26.79521  175.8890 7.398689 175.8802 7.491846 
0.8850098E-02  10.52940 
1 1 1 -8  1  18 o 76.34759 9.732625 60.63372       14.76674  65.03382       
20.68665  56.06221       21.08571  78.37994 13.46390 72.38609 14.82335 
5.993843       20.02519 
1 1 1 -8  1  19 o 96.11450 8.378724 95.20710       16.21261  140.8351       
23.98704  56.83233       21.99804  116.7294 10.20784 72.70609 15.35987 
44.02332       18.44250 
1 1 1 -8  1  20 o 164.9563 6.817551 277.9550       22.86909  223.2031       
39.37379  305.8289       28.09360  146.2793 13.38486 172.8803 7.991169 
-26.60098      15.58889 
1 1 1 -8  1  21 f 192.5845 7.717333 379.6789       30.22316  343.6804       
41.50155  420.3277       44.10079  182.2010 11.25626 201.7039 10.79090 
-19.50291      15.59317 
1 1 1 -8  1  22 o 200.4587 5.742067 410.2631       23.40694  456.4314       
34.20814  369.6163       32.09741  211.0350 7.971196 189.8416 8.314327 
21.19336       11.51816 
1 1 1 -8  1  23 o 135.0076 7.638581 187.4534       20.88516  216.8733       
30.15968  160.3470       28.94963  144.5979 10.32471 123.8749 11.62844 
20.72302       15.55057 
1 1 1 -8  1  24 o 110.1240 8.868070 125.8596       19.69093  105.4283       
28.05084  145.7082       27.64789  99.06789 14.34110 117.6999 11.70672 
-18.63204      18.51255 
1 1 1 -8  1  25 o 57.41340 20.43556 34.24970       30.03505  24.03850       
46.73876  41.43273       39.20058  58.92948 24.24050 63.11869 23.22503 
-4.189213      33.57088 
1 1 1 -8  1  26 o 37.08084 15.35106 6.552761       18.90596  -3.554900      
25.89200  18.09682       27.67066  37.98415 16.84517 47.60576 18.98569 
-9.621609      25.38142 
1 1 1 -8  2  1  o 462.8285 5.325966 2179.697       50.12679  2181.601       
61.33395  2175.868       86.98858  462.9421 6.515127 462.0623 9.257854 
0.8798218      11.32054 
1 1 1 -8  2  2  o 246.7918 5.038063 619.7308       25.28400  619.7308       
25.28400  0.000000       0.000000  246.7918 5.038063 ?        ?        
0.000000       5.038063 
1 1 1 -8  2  3  o 322.6993 3.832545 1059.282       25.14993  1114.255       
36.64577  1010.335       34.57890  330.8916 5.446113 315.0865 5.396721 
15.80511       7.667120 
1 1 1 -8  2  4  o 133.0770 3.779435 180.1426       10.22778  167.4115       
14.38833  193.1461       14.54142  128.2569 5.516686 137.7698 5.190407 
-9.512909      7.574572 
1 1 1 -8  2  5  o 311.3728 5.387899 986.6362       34.11549  986.6362       
34.11549  0.000000       0.000000  311.3728 5.387899 ?        ?        
0.000000       5.387899 
1 1 1 -8  2  6  o 721.7402 7.387725 5304.403       108.4284  5247.766       
131.5254  5424.549       191.5627  717.6133 9.012968 728.7398 12.92668 
-11.12653      15.75858 
1 1 1 -8  2  7  o 228.1681 3.673898 529.5159       17.04643  536.9014       
24.17318  522.2104       24.04193  229.7153 5.174788 226.5494 5.218613 
3.165878       7.349309 
1 1 1 -8  2  8  f 109.3189 4.694475 121.5704       10.43599  142.8893       
15.26137  102.8458       14.30268  118.3214 6.366178 100.2693 7.059580 
18.05211       9.506098 
1 1 1 -8  2  9  o 137.3434 4.451788 191.8693       12.43350  179.3930       
17.10550  205.8449       18.10423  132.7765 6.335242 142.2305 6.259447 
-9.453934      8.905951 
1 1 1 -8  2  10 o 167.6046 4.233367 285.7139       14.42857  276.6538       
20.26772  295.0238       20.54527  164.8986 6.044166 170.2873 5.933052 
-5.388687      8.469537 
1 1 1 -8  2  11 o 222.9304 4.116910 505.4617       18.66345  507.0363       
26.42132  503.8936       26.36698  223.2444 5.819993 222.5513 5.826110 
0.6930847      8.235040 
1 1 1 -8  2  12 o 388.8276 4.527955 1537.817       35.80228  1504.508       
49.90770  1573.131       51.38892  384.5199 6.382595 393.1893 6.427120 
-8.669403      9.057891 
1 1 1 -8  2  13 o 254.7727 5.193690 660.3792       26.90793  670.2474       
33.01545  640.8564       46.43729  256.6312 6.326396 250.8192 9.104469 
5.811920       11.08669 
1 1 1 -8  2  14 o 337.8450 4.590404 1161.225       31.53696  1178.363       
44.74219  1144.304       44.45914  340.2285 6.466885 335.2722 6.520968 
4.956268       9.183878 
1 1 1 -8  2  15 o 443.5896 5.757388 2003.193       51.93478  1970.489       
63.17414  2071.373       91.21626  439.8161 7.063449 450.5201 9.956501 
-10.70395      12.20755 
1 1 1 -8  2  16 o 178.2197 5.217015 323.3821       18.90728  319.1599       
26.90034  327.5045       26.58041  176.9273 7.476726 179.2373 7.292591 
-2.309998      10.44429 
1 1 1 -8  2  17 o 497.0950 5.317875 2516.908       53.75625  2473.326       
75.26472  2562.291       76.80430  492.3389 7.517542 501.1107 7.537033 
-8.771820      10.64520 
1 1 1 -8  2  18 o 138.6190 8.728223 197.2642       24.47804  197.2642       
24.47804  0.000000       0.000000  138.6190 8.728223 ?        ?        
0.000000       8.728223 
1 1 1 -8  2  19 o 225.8848 4.960469 519.9108       22.78563  509.2794       
32.23983  530.5211       32.20770  223.3121 7.099520 227.9427 6.948365 
-4.630585      9.933929 
1 1 1 -8  2  20 f 90.62736 10.54733 85.54250       19.07449  92.53583       
34.61846  82.49384       22.85710  92.15594 19.10023 88.40643 13.11148 
3.749512       23.16743 
1 1 1 -8  2  21 o 190.1631 7.840208 370.2819       30.31833  384.7397       
43.53273  356.6639       42.24927  192.8423 11.14856 185.6214 11.24589 
7.220963       15.83541 
1 1 1 -8  2  22 o 246.0121 5.348646 617.5810       26.75788  594.0173       
37.90922  640.9767       37.77386  240.8010 7.741678 250.2134 7.423853 
-9.412369      10.72600 
1 1 1 -8  2  23 o 268.6477 5.262308 736.7354       28.74821  694.9008       
40.25341  780.2868       41.07113  260.3486 7.603194 275.9639 7.318683 
-15.61533      10.55328 
1 1 1 -8  2  24 o 151.1725 7.107821 234.5341       21.85047  231.0579       
29.53582  238.7367       32.47539  149.1262 9.794108 151.3126 10.62156 
-2.186447      14.44791 
1 1 1 -8  2  25 o 150.2226 8.826488 234.8189       26.84495  223.0098       
32.19339  261.7703       48.63494  145.4858 10.96220 154.9972 15.64431 
-9.511383      19.10273 
1 1 1 -8  2  26 o 94.25903 10.44425 94.92441       19.68292  78.93344       
28.67377  109.1738       27.06734  82.31766 17.65854 99.51292 13.74234 
-17.19526      22.37579 
1 1 1 -8  3  1  o 279.0751 4.244567 792.2695       24.08829  758.3700       
28.87204  869.9095       43.69421  273.0064 5.200597 292.2891 7.351227 
-19.28271      9.004818 
1 1 1 -8  3  2  o 528.5569 5.023081 2842.624       53.99001  2816.066       
75.83563  2869.920       76.88193  525.8930 7.091278 530.8945 7.121388 
-5.001465      10.04990 
1 1 1 -8  3  3  o 93.07083 4.482419 88.12743       8.483546  104.4124       
12.24870  73.11291       11.76123  101.1052 5.984154 84.45647 6.908548 
16.64869       9.139919 
1 1 1 -8  3  4  o 396.8695 4.211076 1602.322       33.98539  1649.609       
49.01466  1558.538       47.16395  402.5729 5.987285 391.3069 5.927086 
11.26608       8.424840 
1 1 1 -8  3  5  o 215.3123 3.546208 471.5405       15.52689  464.3390       
21.92835  478.7815       21.98845  213.6215 5.047888 216.9202 4.984747 
-3.298767      7.094285 
1 1 1 -8  3  6  o 130.0829 4.638031 172.1539       12.26889  165.9388       
14.91087  185.1823       21.58841  127.6931 5.742274 134.6071 7.921727 
-6.914001      9.784041 
1 1 1 -8  3  7  o 170.4334 4.353069 295.4860       15.08696  315.8978       
18.80614  258.6285       25.27099  176.2028 5.248501 159.3665 7.797830 
16.83627       9.399623 
1 1 1 -8  3  8  o 70.65656 6.392709 51.22231       9.085732  36.36036       
12.76141  66.50021       12.93876  58.76221 11.08594 80.41698 8.019073 
-21.65476      13.68223 
1 1 1 -8  3  9  o 712.5927 6.375732 5167.110       92.38955  5087.441       
128.9231  5251.217       132.4660  706.8042 8.969749 718.0781 9.071548 
-11.27386      12.75733 
1 1 1 -8  3  10 o 632.0207 5.843264 4063.932       75.09970  4009.433       
104.9755  4121.066       107.4829  627.5824 8.225565 636.2516 8.307285 
-8.669250      11.69063 
1 1 1 -8  3  11 o 695.3105 6.311874 4919.061       89.24596  4955.963       
127.0252  4883.088       125.4159  697.6674 8.953442 692.5241 8.905662 
5.143311       12.62834 
1 1 1 -8  3  12 o 453.9154 4.841756 2095.881       44.69195  2061.970       
62.50415  2131.355       63.92781  450.1281 6.828436 457.6364 6.869384 
-7.508301      9.685865 
1 1 1 -8  3  13 o 611.9866 6.753505 3812.073       84.04707  3851.087       
103.7546  3737.609       143.3389  614.9460 8.296958 605.3537 11.64404 
9.592346       14.29766 
1 1 1 -8  3  14 o 294.9110 4.518312 884.8278       27.09684  915.3162       
39.08987  856.6262       37.59525  299.8595 6.410545 290.0888 6.373097 
9.770721       9.039439 
1 1 1 -8  3  15 o 262.5116 5.360547 701.4425       28.61600  650.6018       
34.64051  810.6879       50.77852  252.7392 6.740005 281.9488 8.856423 
-29.20961      11.12942 
1 1 1 -8  3  16 o 222.1356 4.824448 502.2994       21.79301  492.6733       
30.63712  512.1588       31.00612  219.8668 6.852307 224.1764 6.801522 
-4.309601      9.654782 
1 1 1 -8  3  17 o 324.1776 4.698986 1070.022       30.97694  1048.582       
43.34555  1092.401       44.28560  320.6901 6.646723 327.3213 6.653296 
-6.631195      9.404535 
1 1 1 -8  3  18 o 98.44202 7.901472 99.63105       15.68429  88.16007       
21.99778  111.4922       22.36874  91.84550 12.07025 103.7154 10.76258 
-11.86989      16.17171 
1 1 1 -8  3  19 f 119.0743 6.928902 145.2582       16.70522  168.5788       
23.78242  122.5460       23.47018  127.9633 9.200847 108.7163 10.75740 
19.24702       14.15546 
1 1 1 -8  3  20 o 82.92977 11.36635 72.10361       18.66391  88.66165       
31.26851  62.93924       23.26237  90.53841 17.61735 76.45123 15.49361 
14.08717       23.46110 
1 1 1 -8  3  21 o 250.1441 7.170886 639.9962       36.47662  603.6248       
50.11711  680.9669       53.19151  242.2076 10.17529 257.2593 10.16763 
-15.05171      14.38462 
1 1 1 -8  3  22 o 137.5792 7.130272 194.1998       19.88007  168.6508       
28.71229  217.7270       27.55286  127.3157 11.20420 145.2362 9.379229 
-17.92052      14.61177 
1 1 1 -8  3  23 o 178.9707 6.246814 327.5152       22.73484  333.9557       
31.95491  320.9134       32.35262  180.2427 8.718233 176.3911 9.049944 
3.851563       12.56619 
1 1 1 -8  3  24 o 167.7213 6.761165 288.4617       23.06011  277.3368       
32.19870  300.1765       33.04146  163.4423 9.731790 170.1106 9.590728 
-6.668289      13.66345 
1 1 1 -8  3  25 o 28.35088 13.50417 -25.36763      21.46467  -22.87340      
25.89690  -30.84201      38.36610  32.80833 15.38402 39.92808 18.72328 
-7.119747      24.23282 
1 1 1 -8  3  26 o 34.69512 14.75578 2.788481       18.20976  19.18908       
25.05372  -15.57853      26.51318  46.91464 18.25987 34.73438 16.04053 
12.18026       24.30476 
1 1 1 -8  4  1  o 450.8911 4.527814 2068.236       41.51564  2082.556       
59.01697  2054.208       58.41167  452.3259 6.416142 449.2384 6.393980 
3.087494       9.058138 
1 1 1 -8  4  2  o 596.7682 5.484131 3624.114       66.55258  3625.546       
94.26875  3622.692       93.97108  596.6310 7.769813 596.3989 7.748291 
0.2321167      10.97297 
1 1 1 -8  4  3  o 131.3386 3.811202 175.4657       10.17901  203.0043       
15.08049  152.4193       13.79575  141.2424 5.250477 122.3805 5.543469 
18.86190       7.635284 
1 1 1 -8  4  4  o 163.0665 3.601839 270.4695       11.94374  261.6403       
16.75538  279.5905       17.02997  160.3509 5.138444 165.7623 5.052154 
-5.411469      7.206100 
1 1 1 -8  4  5  o 438.3688 4.469853 1955.012       39.84595  1892.458       
55.18777  2023.132       57.59037  431.1771 6.294129 445.8104 6.352552 
-14.63324      8.942650 
1 1 1 -8  4  6  o 555.5587 5.234314 3140.530       59.13454  3091.097       
82.70024  3192.248       84.58949  550.9675 7.381241 559.9043 7.429357 
-8.936829      10.47273 
1 1 1 -8  4  7  o 361.5883 4.747496 1330.122       34.90844  1326.927       
42.75074  1336.514       60.47221  361.1034 5.821846 362.2561 8.208970 
-1.152740      10.06385 
1 1 1 -8  4  8  o 172.0641 3.909956 301.1259       13.68087  293.2375       
19.50945  308.7581       19.18984  169.7643 5.651285 174.2041 5.417035 
-4.439758      7.828237 
1 1 1 -8  4  9  o 501.9971 4.965671 2563.482       50.69097  2535.113       
71.11564  2592.782       72.27412  499.0943 7.006983 504.7368 7.041520 
-5.642487      9.933822 
1 1 1 -8  4  10 o 42.91648 11.13686 19.46776       9.803430  17.48981       
13.68651  21.55185       14.04887  42.27727 13.82469 45.84523 13.87864 
-3.567959      19.58925 
1 1 1 -8  4  11 o 484.6010 4.947595 2388.790       48.75620  2409.569       
69.29076  2368.411       68.61752  486.5986 7.002500 482.4254 6.994448 
4.173218       9.897338 
1 1 1 -8  4  12 o 593.4637 5.667547 3583.289       68.39758  3522.372       
95.36068  3647.833       98.15753  588.2172 7.972237 598.5927 8.063820 
-10.37543      11.33939 
1 1 1 -8  4  13 o 439.2481 4.867976 1962.829       43.48203  1937.332       
60.88816  1989.365       62.11596  436.2663 6.863249 442.0828 6.909525 
-5.816498      9.738876 
1 1 1 -8  4  14 o 639.8673 6.059081 4167.447       78.84027  4250.187       
113.2905  4089.748       109.7860  645.8303 8.626281 633.5402 8.521607 
12.29016       12.12561 
1 1 1 -8  4  15 o 334.8542 5.349988 1141.339       36.43006  1089.071       
43.46140  1264.825       66.80277  327.0077 6.535732 352.1056 9.329752 
-25.09787      11.39123 
1 1 1 -8  4  16 o 230.9795 4.802677 543.0976       22.55840  544.1478       
32.12047  542.0754       31.68870  231.0638 6.835947 230.6297 6.756750 
0.4340973      9.611651 
1 1 1 -8  4  17 o 180.3703 5.214904 331.3654       19.12770  335.2040       
27.27765  327.6519       26.82923  181.2523 7.400684 179.2021 7.362301 
2.050201       10.43904 
1 1 1 -8  4  18 o 106.9166 7.403830 117.2714       15.99823  143.2328       
22.71070  91.69863       22.54008  117.8949 9.555114 93.68549 12.11507 
24.20945       15.42969 
1 1 1 -8  4  19 o 232.5568 4.893136 551.0660       23.14023  534.6423       
32.47255  568.0110       32.98391  228.8137 6.978836 235.8609 6.876933 
-7.047180      9.797773 
1 1 1 -8  4  20 o 240.7408 5.910836 591.3836       28.93677  664.6810       
53.87090  561.6585       34.30614  254.2725 10.41846 234.4113 7.196839 
19.86118       12.66249 
1 1 1 -8  4  21 o 62.37127 15.50183 42.22071       19.57607  1.862680       
32.35674  65.52231       24.58627  45.98389 19.61580 77.77303 16.07700 
-31.78913      25.36236 
1 1 1 -8  4  22 o 81.91951 10.81668 70.39084       17.57840  81.10928       
25.31795  60.41489       24.42530  86.98608 14.84569 74.41982 16.56601 
12.56627       22.24471 
1 1 1 -8  4  23 o 130.2644 7.741274 174.6434       20.41418  168.4887       
28.59695  181.0390       29.15105  127.1086 11.17714 131.8489 10.97206 
-4.740311      15.66251 
1 1 1 -8  4  24 o 26.93875 12.69361 -18.80585      18.01025  -9.839285      
25.40656  -27.86302      25.53461  36.46301 16.39206 31.56933 14.94776 
4.893679       22.18412 
1 1 1 -8  4  25 o 117.9037 10.35341 146.3702       24.57207  125.7769       
29.30350  195.1484       45.09922  107.8572 13.66698 132.6487 17.11861 
-24.79151      21.90510 
1 1 1 -8  4  26 o 77.73421 14.76287 68.12495       22.48304  73.82475       
38.25751  65.11794       27.78785  76.66594 22.83402 74.10429 18.49781 
2.561653       29.38642 
1 1 1 -8  5  1  o 340.0959 3.920200 1176.515       27.11196  1173.541       
38.36144  1179.483       38.32280  339.5974 5.554936 340.4571 5.535327 
-0.8597107     7.842013 
1 1 1 -8  5  2  o 668.3530 5.991246 4546.395       81.42814  4698.435       
118.5205  4410.469       112.0641  679.0799 8.582643 657.9727 8.375434 
21.10718       11.99207 
1 1 1 -8  5  3  o 389.9151 4.168497 1546.603       33.05224  1590.626       
47.64897  1505.776       45.88668  395.3244 5.927184 384.6399 5.866526 
10.68457       8.339522 
1 1 1 -8  5  4  o 298.9087 3.732064 908.8115       22.68501  1005.487       
33.80764  829.6354       30.59527  314.3414 5.288857 285.5343 5.269198 
28.80710       7.465685 
1 1 1 -8  5  5  o 893.5045 7.664065 8130.752       139.2539  8434.000       
203.7162  7864.772       190.7884  909.2158 11.01811 878.0864 10.68472 
31.12939       15.34803 
1 1 1 -8  5  6  o 429.5824 4.436747 1877.333       38.75811  1811.109       
53.52148  1950.354       56.20114  421.8298 6.239351 437.7402 6.313602 
-15.91043      8.876433 
1 1 1 -8  5  7  o 623.3921 6.602044 3955.556       83.69339  3928.180       
101.9117  4012.265       146.6783  621.0676 8.069264 627.1646 11.50093 
-6.096985      14.04936 
1 1 1 -8  5  8  o 124.5004 4.415823 157.6690       11.17980  160.4942       
16.01697  154.9848       15.61205  125.5840 6.271836 123.2519 6.249393 
2.332138       8.853861 
1 1 1 -8  5  9  f 395.6870 4.358930 1592.512       35.07382  1595.483       
49.63784  1589.549       49.56599  395.9842 6.164298 395.2469 6.166858 
0.7373047      8.719444 
1 1 1 -8  5  10 o 327.7914 4.134776 1092.819       27.56139  1064.509       
38.42353  1122.823       39.55653  323.4691 5.841348 332.2103 5.855361 
-8.741150      8.270828 
1 1 1 -8  5  11 o 726.9188 6.538635 5376.815       96.65501  5336.293       
135.8302  5418.381       137.5681  723.9002 9.227120 729.4411 9.274189 
-5.540894      13.08244 
1 1 1 -8  5  12 o 645.0784 6.019493 4234.090       78.96304  4261.233       
112.1939  4207.448       111.1546  646.9077 8.528553 642.8148 8.503352 
4.092896       12.04339 
1 1 1 -8  5  13 o 729.3546 6.637283 5414.495       98.44202  5426.549       
139.4642  5402.524       138.9731  729.7789 9.397668 728.1636 9.385350 
1.615295       13.28160 
1 1 1 -8  5  14 o 171.7454 6.064022 300.2437       21.17861  311.9148       
37.91652  294.9512       25.53286  174.5187 10.73611 170.1797 7.378028 
4.338989       13.02687 
1 1 1 -8  5  15 o 385.1126 5.468429 1509.779       42.82543  1497.751       
52.55044  1533.561       73.89478  383.4574 6.739192 387.6877 9.373036 
-4.230377      11.54429 
1 1 1 -8  5  16 o 371.7880 4.759608 1407.097       35.98470  1489.630       
52.50932  1334.014       49.41192  382.3079 6.754164 361.7929 6.716148 
20.51505       9.524987 
1 1 1 -8  5  17 o 80.48289 9.459499 67.14036       15.18654  70.05137       
21.19821  64.07101       21.76710  81.52970 13.24015 77.68106 14.30666 
3.848640       19.49313 
1 1 1 -8  5  18 o 153.2040 5.683416 239.2545       17.70643  240.0672       
25.57949  238.5069       24.53454  153.0312 8.250266 152.5784 7.934774 
0.4528198      11.44673 
1 1 1 -8  5  19 o 140.1522 8.788191 201.8829       24.92001  201.8829       
24.92001  0.000000       0.000000  140.1522 8.788191 ?        ?        
0.000000       8.788191 
1 1 1 -8  5  20 o 166.1617 6.753193 282.0525       22.81874  288.7409       
39.64263  278.7383       27.90520  166.9313 11.75315 164.7701 8.355618 
2.161194       14.42057 
1 1 1 -8  5  21 f 235.8606 10.77802 573.3789       51.69469  573.3789       
51.69469  0.000000       0.000000  235.8606 10.77802 ?        ?        
0.000000       10.77802 
1 1 1 -8  5  22 o 103.0826 8.970266 109.9580       18.61621  125.2768       
26.74037  95.55046       25.93279  109.3112 12.23965 94.85755 13.85236 
14.45368       18.48505 
1 1 1 -8  5  23 o 68.72069 13.71881 50.98138       18.50001  44.42136       
25.58327  58.17160       26.78396  63.73780 18.59056 72.50671 18.19473 
-8.768909      26.01263 
1 1 1 -8  5  24 o 82.41850 12.08616 72.37119       19.65468  73.06495       
27.67180  71.66486       27.92170  81.09537 17.30702 80.19909 17.60350 
0.8962784      24.68635 
1 1 1 -8  5  25 f 109.1662 11.02200 126.2808       24.13306  132.3445       
28.82407  112.0652       44.13388  110.9201 13.02691 96.79131 22.79828 
14.12883       26.25761 
1 1 1 -8  5  26 o 117.3409 9.917072 146.1180       23.44219  136.7688       
40.62001  150.7867       28.70472  107.6419 19.26428 118.0159 12.13365 
-10.37397      22.76704 
1 1 1 -8  6  1  o 153.6699 3.696547 240.1881       11.55145  235.8442       
16.36405  244.5026       16.30853  152.2460 5.285588 155.0178 5.173466 
-2.771805      7.396093 
1 1 1 -8  6  2  o 396.4704 4.207366 1599.011       33.92129  1564.308       
47.34228  1635.624       48.62743  392.0512 5.938202 400.8865 5.964972 
-8.835327      8.416836 
1 1 1 -8  6  3  o 341.9888 3.927700 1189.690       27.31503  1158.139       
38.32012  1222.281       38.94606  337.3485 5.585944 346.5678 5.526166 
-9.219269      7.857563 
1 1 1 -8  6  4  o 126.2585 3.917196 162.1553       10.05744  166.8851       
14.31948  157.5504       14.12915  128.0597 5.498743 124.4250 5.584149 
3.634697       7.837020 
1 1 1 -8  6  5  o 367.0455 4.062817 1370.437       30.32485  1361.533       
42.73726  1379.465       43.03592  365.7681 5.745786 368.1688 5.748211 
-2.400696      8.127483 
1 1 1 -8  6  6  o 235.4512 3.606438 563.8580       17.26756  547.2094       
24.11823  581.3667       24.73341  231.9097 5.114170 239.0389 5.088197 
-7.129288      7.214187 
1 1 1 -8  6  7  o 70.77863 6.907629 51.47902       9.815473  54.63891       
12.15299  45.55057       16.64628  72.76834 8.364891 65.67011 12.92539 
7.098228       15.39601 
1 1 1 -8  6  8  o 228.5562 3.789294 531.3000       17.61176  591.1512       
25.88789  479.7339       24.02940  241.0516 5.281232 217.1466 5.441747 
23.90500       7.583140 
1 1 1 -8  6  9  o 1166.578 9.786140 13862.36       232.1542  13657.64       
323.4512  14079.87       333.4063  1156.911 13.74857 1174.594 13.95837 
-17.68250      19.59233 
1 1 1 -8  6  10 o 346.2022 5.938870 1219.421       41.81047  1219.421       
41.81047  0.000000       0.000000  346.2022 5.938870 ?        ?        
0.000000       5.938870 
1 1 1 -8  6  11 o 633.0495 5.889822 4077.280       75.82131  4073.265       
107.0977  4081.315       107.3578  632.5388 8.326101 633.1624 8.338099 
-0.6235352     11.78337 
1 1 1 -8  6  12 o 458.5026 5.631225 2138.883       52.50444  2160.906       
64.85152  2096.984       89.45026  460.7807 6.921089 453.7003 9.695297 
7.080353       11.91219 
1 1 1 -8  6  13 o 215.8667 4.555711 474.0402       19.99830  430.3497       
27.58131  522.4698       29.03868  205.6206 6.596245 226.5723 6.302583 
-20.95169      9.123213 
1 1 1 -8  6  14 o 184.5381 6.946893 346.7729       26.06923  0.000000       
0.000000  346.7729       26.06923  ?        ?        184.5381 6.946893 
0.000000       6.946893 
1 1 1 -8  6  15 o 387.4241 4.787803 1527.575       37.72022  1436.818       
51.43293  1633.201       55.48627  375.5663 6.734466 400.4019 6.814564 
-24.83551      9.580778 
1 1 1 -8  6  16 o 253.5812 4.647485 654.5704       23.96550  707.2854       
35.00127  608.0443       32.88253  263.4463 6.533416 244.2582 6.620101 
19.18810       9.301143 
1 1 1 -8  6  17 o 259.5180 4.703860 685.7993       24.82409  630.5407       
33.99036  748.9633       36.34048  248.6521 6.722211 271.0132 6.593996 
-22.36110      9.416417 
1 1 1 -8  6  18 f 134.0318 6.142504 183.2075       16.74190  172.8677       
23.58016  193.7183       23.77428  129.6663 8.998389 137.3687 8.553188 
-7.702362      12.41483 
1 1 1 -8  6  19 o 62.26020 16.87571 41.78532       21.90066  0.000000       
0.000000  41.78532       21.90066  ?        ?        62.26020 16.87571 
0.000000       16.87571 
1 1 1 -8  6  20 o 145.0974 7.240523 215.2432       21.36392  237.6676       
37.56327  204.5213       25.97393  151.2072 12.32348 140.9261 9.112260 
10.28110       15.32650 
1 1 1 -8  6  21 o 137.2566 7.127896 193.2249       19.82662  214.8444       
29.41762  175.2310       26.83777  144.1457 10.09966 130.0812 10.22816 
14.06447       14.37422 
1 1 1 -8  6  22 o 59.71975 14.64646 38.71166       17.65151  41.11804       
25.78512  36.58944       24.21482  61.85186 18.81975 58.71243 18.30352 
3.139427       26.25265 
1 1 1 -8  6  23 o 46.46781 15.77217 21.39472       17.78385  14.92837       
25.21701  27.79296       25.08384  46.55428 18.26337 53.38445 18.70618 
-6.830170      26.14329 
1 1 1 -8  6  24 o 148.5192 7.300812 226.6301       22.04983  224.2437       
31.03656  229.0621       31.33189  146.5820 10.48132 148.1609 10.46658 
-1.578812      14.81241 
1 1 1 -8  6  25 o 85.03227 13.68850 78.94498       22.86629  75.55496       
26.98618  87.57520       43.05773  81.82841 16.78077 84.76782 23.93081 
-2.939407      29.22804 
1 1 1 -8  6  26 o 65.27313 16.89095 49.79246       22.59228  58.53050       
38.52935  45.21389       27.89009  68.69977 23.21581 61.73138 19.69637 
6.968384       30.44538 
1 1 1 -8  7  1  o 405.7704 4.269331 1674.865       35.22829  1723.022       
50.74833  1630.077       48.94145  411.4671 6.065062 400.2185 6.013513 
11.24857       8.540920 
1 1 1 -8  7  2  f 252.8748 4.174153 650.4791       21.46473  675.4606       
39.16615  639.7548       25.66169  257.5534 7.478117 250.7553 5.032498 
6.798065       9.013783 
1 1 1 -8  7  3  o 782.6354 7.894972 6238.554       125.6497  5949.674       
209.1032  6401.811       157.1947  763.0528 13.47581 792.4529 9.754678 
-29.40009      16.63584 
1 1 1 -8  7  4  o 382.2017 4.797975 1486.219       37.29082  1568.919       
67.54441  1449.960       44.72489  392.4280 8.464046 377.4536 5.826857 
14.97440       10.27581 
1 1 1 -8  7  5  o 297.2399 3.760334 898.6688       22.72924  883.5482       
32.02225  914.0215       32.26714  294.6719 5.343942 299.7125 5.294246 
-5.040649      7.522417 
1 1 1 -8  7  6  f 470.1257 4.676914 2248.485       44.71207  2177.816       
61.82824  2325.959       64.73684  462.5539 6.573143 478.0205 6.659683 
-15.46658      9.357221 
1 1 1 -8  7  7  o 221.4522 5.178187 498.9453       23.31896  0.000000       
0.000000  498.9453       23.31896  ?        ?        221.4522 5.178187 
0.000000       5.178187 
1 1 1 -8  7  8  o 301.9965 4.519184 927.7040       27.75322  969.1870       
34.73520  854.4691       46.15237  308.6420 5.534309 289.7083 7.833966 
18.93372       9.591642 
1 1 1 -8  7  9  o 93.51545 5.632091 89.29340       10.66040  93.10651       
15.52426  85.89089       14.66461  95.29253 8.087633 91.51043 7.959686 
3.782097       11.34753 
1 1 1 -8  7  10 o 824.3380 7.212323 6915.718       120.9016  6877.596       
170.0257  6954.709       171.9518  821.6835 10.17557 826.2682 10.23374 
-4.584717      14.43162 
1 1 1 -8  7  11 o 286.3864 4.138445 834.1883       24.10133  888.4377       
34.87664  784.6024       33.34386  295.5066 5.803849 277.6986 5.904603 
17.80795       8.279432 
1 1 1 -8  7  12 o 102.8580 7.546019 108.2786       15.67350  121.6044       
19.15947  81.31921       27.25162  108.9259 8.722879 87.87367 15.83280 
21.05220       18.07668 
1 1 1 -8  7  13 o 389.9011 4.641097 1546.569       36.79819  1658.785       
54.26434  1451.033       50.06943  403.6844 6.610300 377.5652 6.521226 
26.11911       9.285604 
1 1 1 -8  7  14 o 322.0118 6.352079 1055.676       41.59480  0.000000       
0.000000  1055.676       41.59480  ?        ?        322.0118 6.352079 
0.000000       6.352079 
1 1 1 -8  7  15 o 134.9862 5.989274 185.5502       16.44050  163.8391       
22.87272  208.7568       23.64738  126.4106 8.955775 142.8536 8.174244 
-16.44296      12.12535 
1 1 1 -8  7  16 o 240.4989 6.663766 589.5336       32.59000  0.000000       
0.000000  589.5336       32.59000  ?        ?        240.4989 6.663766 
0.000000       6.663766 
1 1 1 -8  7  17 o 203.7559 4.908269 422.8221       20.33715  449.9240       
29.36927  397.8545       28.18915  210.0181 6.876777 197.4786 7.019572 
12.53958       9.826721 
1 1 1 -8  7  18 o 292.1017 4.714928 869.1120       28.00661  908.9987       
40.39641  832.1964       38.86275  298.4615 6.655842 285.5690 6.692234 
12.89252       9.438550 
1 1 1 -8  7  19 f 70.73422 12.82250 53.18065       17.76478  58.81118       
21.89644  42.33695       30.38700  73.99635 15.06374 63.87206 20.57816 
10.12429       25.50249 
1 1 1 -8  7  20 o 195.5605 6.231412 390.4698       24.78102  491.4124       
44.54139  345.2172       29.82280  218.6702 10.01666 183.6353 7.986214 
35.03493       12.81066 
1 1 1 -8  7  21 o 242.7231 5.275744 601.0473       26.04031  555.4797       
36.16907  650.0858       37.52126  232.9117 7.636504 252.0381 7.320821 
-19.12642      10.57878 
1 1 1 -8  7  22 o 36.64849 14.77811 6.738018       16.96452  9.312786       
24.05625  4.190804       23.92717  43.26328 17.54436 40.86911 17.12274 
2.394176       24.51516 
1 1 1 -8  7  23 o 117.2087 8.454246 141.9297       20.01526  107.9285       
28.64523  174.3659       27.97825  100.5053 14.42949 129.3890 10.73022 
-28.88373      17.98188 
1 1 1 -8  7  24 o 166.2884 6.551226 283.5903       22.15317  264.6890       
30.45709  304.8233       32.28106  159.6576 9.422721 171.4189 9.295319 
-11.76123      13.23596 
1 1 1 -8  7  25 f 66.32488 16.12204 49.77737       21.53244  22.31190       
25.69804  114.5025       39.44964  49.44888 18.68246 99.13221 20.25365 
-49.68333      27.55440 
1 1 1 -8  7  26 o 32.11374 14.69117 -10.68873      21.52235  -35.23579      
35.60262  3.447778       27.01800  36.40529 17.35479 41.00846 17.71489 
-4.603172      24.79931 
1 1 1 -8  8  1  o 265.0082 4.249929 714.3818       22.90300  704.4573       
27.59942  736.3309       41.04430  263.1337 5.157890 268.9237 7.505375 
-5.790009      9.106838 
1 1 1 -8  8  2  o 286.8225 5.351259 837.0887       31.21193  834.3483       
44.41046  839.7635       43.87509  286.2426 7.629561 287.1766 7.513071 
-0.9339905     10.70777 
1 1 1 -8  8  3  o 318.3998 5.496544 1031.613       35.58885  1011.439       
49.97848  1052.366       50.68952  315.1425 7.798742 321.4583 7.754291 
-6.315765      10.99770 
1 1 1 -8  8  4  f 168.3113 5.284973 288.2521       18.08871  276.5503       
25.63211  299.8616       25.53079  164.7923 7.648847 171.6086 7.316000 
-6.816330      10.58436 
1 1 1 -8  8  5  o 250.4489 4.216029 638.0585       21.47208  654.6965       
38.81412  630.7214       25.77537  253.5650 7.527471 248.9784 5.090868 
4.586594       9.087340 
1 1 1 -8  8  6  o 180.1557 3.660122 330.1123       13.40896  367.4929       
19.50031  296.5846       18.46803  190.0539 5.045605 170.7306 5.319341 
19.32332       7.331679 
1 1 1 -8  8  7  o 464.7639 4.673981 2197.356       44.17440  2239.128       
63.32917  2157.771       61.64880  469.0428 6.639570 460.4467 6.584062 
8.596130       9.350602 
1 1 1 -8  8  8  o 651.5930 6.858405 4321.052       90.87637  4233.481       
109.2286  4517.985       163.8000  644.8101 8.330156 665.6036 12.10171 
-20.79358      14.69159 
1 1 1 -8  8  9  o 608.8940 5.665460 3771.942       70.15009  3779.611       
99.38701  3764.327       99.02839  609.3295 8.020953 608.0974 8.008204 
1.232117       11.33433 
1 1 1 -8  8  10 o 449.1936 4.711889 2052.406       43.04077  2116.036       
61.97672  1993.131       59.81833  456.0106 6.683473 442.5714 6.646600 
13.43927       9.425821 
1 1 1 -8  8  11 o 100.8641 6.180952 103.9055       12.61664  108.4774       
17.89868  99.39037       17.78708  102.8556 8.637373 98.38508 8.989788 
4.470482       12.46678 
1 1 1 -8  8  12 o 263.3267 4.997599 705.4227       26.76133  694.7429       
32.21011  729.2260       48.08720  261.2920 6.061982 267.5766 8.837509 
-6.284607      10.71677 
1 1 1 -8  8  13 o 253.2159 4.424725 652.2729       22.78393  690.2928       
33.03116  617.7658       31.46830  260.4242 6.237219 246.3618 6.281285 
14.06239       8.851974 
1 1 1 -8  8  14 o 449.3998 7.037398 2056.893       64.31265  0.000000       
0.000000  2056.893       64.31265  ?        ?        449.3998 7.037398 
0.000000       7.037398 
1 1 1 -8  8  15 o 151.7905 5.530687 234.5835       17.07163  229.7256       
24.07662  239.4953       24.20980  149.8960 7.926851 153.0714 7.803505 
-3.175446      11.12338 
1 1 1 -8  8  16 o 263.7166 4.628593 707.9895       24.82206  702.0280       
35.25582  713.8492       34.95352  262.4378 6.606219 264.6492 6.494848 
-2.211365      9.264188 
1 1 1 -8  8  17 o 223.8968 4.829511 510.5407       21.98885  524.2211       
30.82402  496.3648       31.37722  226.7063 6.686121 220.5679 6.995532 
6.138428       9.676863 
1 1 1 -8  8  18 o 384.4790 4.889885 1506.026       38.23162  1424.415       
52.34763  1599.320       55.96926  373.5500 6.891231 395.8061 6.953696 
-22.25607      9.789941 
1 1 1 -8  8  19 o 146.6925 6.983225 219.8127       20.83126  219.9770       
25.35131  219.4711       36.55148  146.3330 8.556622 145.3299 12.48931 
1.003067       15.13931 
1 1 1 -8  8  20 o 68.52875 13.64438 50.35464       18.34588  72.92327       
31.52135  38.79351       22.56070  81.48711 19.31669 60.09724 17.43753 
21.38987       26.02311 
1 1 1 -8  8  21 o 126.3457 7.622174 164.0558       19.49184  130.6886       
28.15776  194.7567       27.00933  111.6088 12.62869 137.2642 9.739433 
-25.65548      15.94805 
1 1 1 -8  8  22 o 58.46734 14.97980 37.14264       17.89053  45.21823       
25.15464  28.87629       25.45000  64.36508 18.33326 54.29996 18.85258 
10.06512       26.29692 
1 1 1 -8  8  23 o 38.23631 15.36893 7.902396       18.28415  5.930989       
26.11710  9.797379       25.60588  43.00582 17.94281 44.33602 18.05521 
-1.330204      25.45457 
1 1 1 -8  8  24 o 104.9483 9.845086 115.1795       20.76541  46.72451       
28.73586  189.9942       30.04105  64.73329 19.89958 134.5720 11.07598 
-69.83875      22.77434 
1 1 1 -8  8  25 o 116.6188 10.18776 143.4760       23.91757  175.8322       
29.60409  82.66043       40.58643  128.6020 11.43961 82.34964 23.22893 
46.25237       25.89300 
1 1 1 -8  8  26 o 32.19891 14.62042 -8.519774      20.81443  -62.83182      
36.29493  18.09562       25.40764  32.29889 15.87694 46.24992 18.27208 
-13.95104      24.20632 
1 1 1 -8  9  1  o 405.9070 4.964920 1676.198       40.98172  1713.615       
73.06207  1659.022       49.50246  410.1621 8.759615 403.7665 6.028997 
6.395569       10.63389 
1 1 1 -8  9  2  o 619.0179 6.531695 3900.261       82.22058  3834.595       
141.4094  3933.800       101.0588  613.1228 11.34173 621.5076 7.996061 
-8.384766      13.87703 
1 1 1 -8  9  3  o 440.2146 4.464967 1971.406       39.97000  1975.779       
56.65767  1967.073       56.39547  440.5875 6.323755 439.6169 6.308388 
0.9706421      8.932281 
1 1 1 -8  9  4  o 441.0240 6.329419 1979.703       56.76459  0.000000       
0.000000  1979.703       56.76459  ?        ?        441.0240 6.329419 
0.000000       6.329419 
1 1 1 -8  9  5  o 356.0250 4.676148 1289.506       33.85479  1283.659       
59.43769  1292.315       41.18925  355.0100 8.233224 356.3653 5.683778 
-1.355255      10.00456 
1 1 1 -8  9  6  o 473.8299 5.465496 2284.426       52.66275  2272.236       
64.24606  2309.391       91.94116  472.4801 6.686696 476.0683 9.497063 
-3.588257      11.61491 
1 1 1 -8  9  7  o 419.9955 5.128869 1794.573       43.80439  1769.561       
52.97291  1848.663       77.89957  417.0002 6.246923 426.0233 8.991878 
-9.023102      10.94888 
1 1 1 -8  9  8  o 94.42507 6.101377 91.10124       11.65300  88.31962       
14.17596  96.89761       20.46357  92.83932 7.574794 96.94457 10.55057 
-4.105255      12.98815 
1 1 1 -8  9  9  o 721.1106 7.462590 5292.679       109.4316  5241.768       
132.7654  5400.560       193.2641  717.4529 9.099969 727.6451 13.06111 
-10.19220      15.91861 
1 1 1 -8  9  10 o 721.3581 7.481151 5296.285       109.7415  5387.412       
136.2329  5127.867       185.2059  727.3439 9.210664 709.0842 12.84415 
18.25970       15.80533 
1 1 1 -8  9  11 o 249.3247 4.191185 632.2695       21.24974  627.8698       
29.84415  636.7938       30.26357  248.4133 5.907896 250.1713 5.948826 
-1.757950      8.384018 
1 1 1 -8  9  12 o 241.3563 5.039008 592.6406       24.73176  607.1699       
30.52332  564.8698       42.19911  244.2623 6.145028 235.4925 8.812006 
8.769791       10.74304 
1 1 1 -8  9  13 o 218.9788 4.590702 487.8435       20.44243  509.5999       
29.04081  466.4748       28.78088  223.7472 6.382630 214.0617 6.611706 
9.685440       9.189811 
1 1 1 -8  9  14 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -8  9  15 o 196.9848 4.900319 394.9750       19.62947  363.0529       
27.01807  430.6626       28.56718  188.7455 7.039248 205.5838 6.833245 
-16.83830      9.810415 
1 1 1 -8  9  16 o 390.1501 4.806890 1549.815       38.13707  1528.428       
53.69382  1571.588       54.17736  387.1806 6.819607 392.6145 6.785784 
-5.433960      9.620494 
1 1 1 -8  9  17 o 196.9356 5.077274 395.0790       20.33323  402.3227       
28.38918  387.4489       29.13642  198.5623 7.030800 194.8244 7.354300 
3.737839       10.17437 
1 1 1 -8  9  18 o 96.96996 7.903889 96.74770       15.45022  75.73656       
22.09286  116.8594       21.61480  84.70187 13.26163 106.2718 10.12429 
-21.56993      16.68448 
1 1 1 -8  9  19 f 212.1555 5.940572 459.2248       25.62913  445.4221       
30.75368  490.6033       46.36922  208.7681 7.244051 218.5019 10.43574 
-9.733749      12.70358 
1 1 1 -8  9  20 o 99.47839 9.457511 102.5161       18.90167  105.8608       
32.12535  100.7451       23.37609  99.33299 16.48161 98.06412 11.97071 
1.268875       20.37012 
1 1 1 -8  9  21 o 148.4042 6.768315 225.2241       20.42576  207.7637       
28.52201  243.6060       29.26508  141.7269 9.959638 153.6521 9.411482 
-11.92511      13.70293 
1 1 1 -8  9  22 o 177.9302 6.268202 323.6335       22.68005  349.8050       
32.98166  300.1559       31.23818  184.5076 8.790360 170.6325 9.034878 
13.87512       12.60553 
1 1 1 -8  9  23 o 135.6425 7.792263 189.5269       21.40343  219.2213       
30.97732  162.4013       29.60718  145.1579 10.56679 124.4450 11.84233 
20.71294       15.87129 
1 1 1 -8  9  24 o 59.72628 15.56728 39.53934       19.09982  -0.4809927     
27.14107  78.80284       26.88321  40.84115 17.69872 84.45287 16.24347 
-43.61172      24.02280 
1 1 1 -8  9  25 o 56.85219 15.91360 36.51290       19.12499  52.52193       
27.43508  21.37910       26.67459  67.11729 19.15634 49.21536 18.92836 
17.90192       26.93043 
1 1 1 -8  9  26 o 114.9686 10.28760 141.2795       23.79744  149.0083       
42.66265  137.7885       28.67258  111.5953 19.51004 112.0627 12.81242 
-0.4674072     23.34094 
1 1 1 -8  10 1  o 406.6244 4.993484 1682.108       41.29034  1687.881       
73.10407  1679.403       50.03573  407.0769 8.831078 406.2433 6.056791 
0.8335876      10.70853 
1 1 1 -8  10 2  o 340.3189 3.922341 1178.026       27.14457  1144.451       
37.88556  1213.445       38.91142  335.3714 5.555155 345.3332 5.540991 
-9.961731      7.846167 
1 1 1 -8  10 3  o 521.8152 4.977812 2770.287       52.82100  2789.838       
75.19786  2751.244       74.21223  523.4885 7.063938 519.8590 7.020023 
3.629517       9.958913 
1 1 1 -8  10 4  o 223.2801 3.523810 507.0578       15.99978  500.3681       
22.44820  513.9651       22.81036  221.7678 4.977733 224.7604 4.990693 
-2.992599      7.048747 
1 1 1 -8  10 5  o 234.7494 4.229432 560.5577       20.19007  576.5789       
36.91771  553.7211       24.11613  237.9631 7.629107 233.2908 5.083451 
4.672302       9.167593 
1 1 1 -8  10 6  o 536.5273 5.931934 2929.255       64.72017  2923.573       
113.2541  2932.011       78.86646  535.5571 10.39912 536.6744 7.226533 
-1.117310      12.66351 
1 1 1 -8  10 7  o 500.3124 4.904765 2546.400       49.90118  2531.199       
70.31872  2561.820       70.82588  498.6893 6.934091 501.6961 6.942244 
-3.006805      9.812052 
1 1 1 -8  10 8  o 617.9543 6.612420 3886.046       83.09373  3910.391       
102.1059  3838.307       142.9827  619.7534 8.101779 613.6186 11.45865 
6.134766       14.03351 
1 1 1 -8  10 9  o 660.4377 6.030743 4437.933       80.99423  4476.772       
115.3584  4400.172       113.7450  663.0931 8.555060 657.4006 8.508455 
5.692566       12.06577 
1 1 1 -8  10 10 o 295.9409 4.095515 890.7766       24.64705  926.5919       
35.29709  856.6967       34.43140  301.7852 5.751611 290.1772 5.834987 
11.60800       8.193173 
1 1 1 -8  10 11 o 368.6280 4.440948 1382.209       33.29013  1399.531       
47.24223  1365.123       46.91814  370.8565 6.264307 366.2676 6.299279 
4.588867       8.883832 
1 1 1 -8  10 12 o 502.2232 5.164574 2566.218       52.74517  2556.957       
74.03165  2575.766       75.16718  501.1589 7.264246 502.9913 7.348798 
-1.832397      10.33315 
1 1 1 -8  10 13 o 390.0655 5.391812 1548.342       42.76847  1581.186       
53.06186  1487.438       72.25623  394.0956 6.621090 381.9953 9.301776 
12.10031       11.41761 
1 1 1 -8  10 14 o 80.80093 12.86572 68.42166       20.43098  47.53412       
31.41323  83.73514       26.89713  67.77156 20.80139 89.11499 15.39936 
-21.34343      25.88123 
1 1 1 -8  10 15 o 277.7149 5.193962 785.2180       29.33252  777.9888       
36.14549  799.1610       50.19814  276.3368 6.432265 279.8239 8.821683 
-3.487061      10.91770 
1 1 1 -8  10 16 o 162.6592 6.168389 269.6491       20.40337  267.4142       
25.70960  273.4516       33.53458  161.8692 7.810513 163.1656 10.15715 
-1.296326      12.81296 
1 1 1 -8  10 17 o 465.6581 5.947666 2210.611       56.32033  2221.135       
69.65379  2190.735       95.71896  466.4402 7.343402 462.3752 10.18010 
4.065002       12.55229 
1 1 1 -8  10 18 o 134.8062 7.098361 186.1027       19.39038  192.0458       
24.02581  174.9996       32.83926  136.7086 8.687422 129.7002 12.61036 
7.008408       15.31315 
1 1 1 -8  10 19 o 203.1823 7.399564 422.0613       30.57338  422.0613       
30.57338  0.000000       0.000000  203.1823 7.399564 ?        ?        
0.000000       7.399564 
1 1 1 -8  10 20 o 137.9238 9.143177 196.1131       25.49870  181.0337       
37.06785  209.6579       35.13125  131.2342 14.11163 141.8607 12.29985 
-10.62643      18.71963 
1 1 1 -8  10 21 o 148.7131 7.595453 227.1120       22.89304  236.0583       
28.93402  212.1365       37.43520  151.2158 9.456877 142.3230 13.08103 
8.892792       16.14143 
1 1 1 -8  10 22 o 108.1241 10.05940 121.5476       21.86430  120.0582       
27.51854  124.0976       36.00691  106.6911 12.94906 107.1351 17.10247 
-0.4440155     21.45163 
1 1 1 -8  10 23 o 58.33110 16.64838 37.18135       20.72184  59.57392       
26.08957  -1.085106      34.10548  73.25228 17.70964 45.65191 19.81171 
27.60037       26.57320 
1 1 1 -8  10 24 o 92.07477 11.20004 89.79317       20.53869  87.18948       
28.35820  92.66575       29.78660  88.82866 16.29975 91.50399 16.61987 
-2.675331      23.27879 
1 1 1 -8  10 25 o 189.9472 6.684076 372.0550       25.81818  334.9251       
35.24131  415.0707       37.93180  178.5807 9.741138 199.2921 9.359702 
-20.71136      13.50903 
1 1 1 -8  10 26 o 49.01906 17.60969 25.69857       22.35178  3.832673       
38.05607  37.21400       27.61724  46.76175 20.59532 56.63580 19.64030 
-9.874058      28.45889 
1 1 1 -8  11 1  o 329.2252 4.555230 1102.570       30.49684  1059.089       
52.90352  1124.210       37.32215  322.5107 8.066572 332.4047 5.521385 
-9.893982      9.775238 
1 1 1 -8  11 2  o 539.1848 5.916667 2958.354       64.87333  2961.194       
113.8756  2956.989       78.93453  538.9869 10.38965 538.9548 7.202168 
0.3204346E-01  12.64184 
1 1 1 -8  11 3  o 345.9294 3.948926 1217.192       27.77908  1192.718       
38.86688  1242.749       39.71805  342.3701 5.582548 349.4767 5.588797 
-7.106628      7.899335 
1 1 1 -8  11 4  o 444.9009 4.499595 2013.538       40.70878  2032.244       
57.89035  1995.239       57.25669  446.8533 6.370739 442.7670 6.359158 
4.086334       9.001400 
1 1 1 -8  11 5  o 394.2234 4.227709 1580.841       33.89214  1581.110       
47.95588  1580.572       47.90559  394.1742 5.982769 394.1074 5.977509 
0.6680298E-01  8.457194 
1 1 1 -8  11 6  o 210.7220 4.322741 451.6702       18.52339  407.6775       
32.13942  473.5520       22.66673  200.1000 7.898406 215.7469 5.166457 
-15.64687      9.438066 
1 1 1 -8  11 7  o 515.5046 5.017901 2703.418       52.60246  2598.467       
72.14481  2822.539       76.86120  505.2729 7.021464 526.5959 7.177584 
-21.32303      10.04085 
1 1 1 -8  11 8  o 296.6064 3.951187 894.7768       23.83195  900.5989       
33.76554  888.9973       33.64173  297.5248 5.580835 295.6017 5.596544 
1.923065       7.903608 
1 1 1 -8  11 9  o 549.2158 5.295423 3068.584       59.14187  3046.831       
83.16576  3090.841       84.12089  547.1215 7.474968 551.0563 7.506827 
-3.934814      10.59375 
1 1 1 -8  11 10 o 368.2981 4.348671 1379.685       32.56923  1393.345       
46.20635  1366.197       45.91472  370.0493 6.140316 366.4255 6.161902 
3.623749       8.698995 
1 1 1 -8  11 11 o 38.30262 13.63895 12.79658       13.38013  11.36204       
16.21028  15.86330       23.70122  39.31803 14.84216 47.09237 17.90592 
-7.774334      23.25751 
1 1 1 -8  11 12 o 394.9847 4.619848 1587.147       37.10731  1555.741       
52.12305  1619.423       52.83960  390.9500 6.556276 398.8739 6.514370 
-7.923950      9.242391 
1 1 1 -8  11 13 o 293.7037 4.458271 877.6234       26.62731  920.0732       
38.72509  839.5551       36.67213  300.6284 6.334480 287.1760 6.279666 
13.45245       8.919633 
1 1 1 -8  11 14 o 141.5282 6.686827 204.0239       19.24484  261.4612       
36.02990  181.0955       22.76421  159.5767 11.17354 133.0009 8.460774 
26.57585       14.01545 
1 1 1 -8  11 15 f 227.9767 4.725641 529.0554       21.90799  527.9871       
30.90337  530.1348       31.06240  227.6163 6.676536 228.0771 6.697334 
-0.4608459     9.456765 
1 1 1 -8  11 16 o 143.9632 5.818979 211.1907       17.03530  217.8406       
24.23189  204.6926       23.95361  145.8267 8.204786 141.3214 8.372432 
4.505295       11.72246 
1 1 1 -8  11 17 o 377.5363 4.799032 1451.850       36.84374  1416.767       
51.33497  1489.120       52.91058  372.6139 6.774899 382.0025 6.811219 
-9.388641      9.606871 
1 1 1 -8  11 18 o 179.9517 7.604582 330.9861       27.82805  330.9861       
27.82805  0.000000       0.000000  179.9517 7.604582 ?        ?        
0.000000       7.604582 
1 1 1 -8  11 19 o 59.20687 14.81307 37.85258       17.79076  32.59600       
21.47928  49.33885       31.75103  55.72692 17.21670 67.93613 20.92309 
-12.20921      27.09595 
1 1 1 -8  11 20 o 123.5477 8.513576 157.2565       21.25882  168.2544       
36.56668  151.6414       26.12810  126.3095 14.49910 120.8409 10.74477 
5.468575       18.04644 
1 1 1 -8  11 21 o 56.19921 14.75276 34.22588       17.07391  24.83731       
24.58834  42.96820       23.72699  51.65675 18.47897 62.82153 17.77479 
-11.16478      25.64012 
1 1 1 -8  11 22 o 158.6356 6.709862 257.5335       21.64541  271.7240       
31.00821  244.0471       30.22912  162.1713 9.443548 153.5863 9.729060 
8.585022       13.55858 
1 1 1 -8  11 23 o 75.89248 12.43476 61.57338       18.52573  69.50726       
26.66246  54.16776       25.75955  79.32609 17.03693 69.74458 18.03030 
9.581505       24.80622 
1 1 1 -8  11 24 o 27.82999 12.95428 -14.90280      17.81837  -27.44254      
24.97855  -1.910450      25.42535  31.03716 14.72130 38.96680 17.00575 
-7.929632      22.49249 
1 1 1 -8  11 25 o 39.67432 15.68845 11.37284       18.74627  9.005375       
27.22821  13.50638       25.84805  43.72452 18.28819 44.88010 18.19091 
-1.155575      25.79472 
1 1 1 -8  11 26 o 88.62831 13.12483 87.36803       22.93958  57.32694       
40.89177  101.1635       27.71058  67.04896 23.84681 94.35532 14.93960 
-27.30636      28.14004 
1 1 1 -8  12 1  o 405.7984 4.301905 1675.001       35.49953  1660.667       
49.81411  1689.793       50.60301  403.9790 6.063762 407.5040 6.106510 
-3.524963      8.605735 
1 1 1 -8  12 2  o 487.7420 4.765967 2420.043       47.27076  2439.495       
67.25843  2401.056       66.45080  489.5723 6.755826 485.7019 6.727890 
3.870331       9.534448 
1 1 1 -8  12 3  o 574.0722 5.338107 3353.044       62.31681  3371.730       
88.61336  3334.761       87.65304  575.4786 7.572139 572.3191 7.531428 
3.159546       10.67987 
1 1 1 -8  12 4  o 286.5153 4.350873 835.0401       25.34987  850.2170       
45.85178  828.3589       30.42214  288.9671 7.802905 285.3386 5.242976 
3.628540       9.400751 
1 1 1 -8  12 5  o 462.3946 5.386424 2175.360       50.64828  2113.322       
87.45729  2206.666       62.12667  455.4449 9.442974 465.6363 6.561149 
-10.19141      11.49863 
1 1 1 -8  12 6  o 229.9667 4.314100 537.9296       20.17468  517.3979       
36.25207  547.1412       24.28226  225.4287 7.908100 231.9076 5.148998 
-6.478897      9.436643 
1 1 1 -8  12 7  o 200.7164 4.476754 409.7929       18.27247  393.1807       
33.07994  417.0872       21.92004  196.5089 8.278109 202.4777 5.323688 
-5.968872      9.842192 
1 1 1 -8  12 8  o 671.6138 6.113686 4589.615       83.49763  4612.826       
119.0891  4567.171       117.1030  673.0594 8.700957 669.7320 8.598354 
3.327454       12.23268 
1 1 1 -8  12 9  o 850.6949 7.404399 7365.956       128.0900  7301.757       
179.6159  7432.391       182.7170  846.5381 10.43390 854.0621 10.52054 
-7.523987      14.81716 
1 1 1 -8  12 10 o 107.2356 5.781556 117.3422       12.56110  101.5303       
17.66505  133.5135       17.86478  99.45981 8.825743 114.2611 7.734159 
-14.80131      11.73503 
1 1 1 -8  12 11 o 97.94678 7.489490 98.23900       14.80436  104.4119       
18.34956  86.72858       25.05690  100.8389 9.044565 91.11650 13.96869 
9.722366       16.64117 
1 1 1 -8  12 12 f 265.7443 4.330613 718.4042       23.40264  733.1551       
33.56915  704.4560       32.64294  268.3898 6.150676 263.0865 6.101537 
5.303284       8.663692 
1 1 1 -8  12 13 o 398.7466 5.376733 1618.197       43.59803  1619.772       
75.37964  1617.405       53.44416  398.5607 9.300540 398.5528 6.594213 
0.7843018E-02  11.40104 
1 1 1 -8  12 14 o 240.0073 5.358065 586.4093       26.15073  604.1266       
46.41499  578.1697       31.65272  243.2994 9.381359 238.2444 6.533365 
5.055038       11.43218 
1 1 1 -8  12 15 o 600.8179 5.855398 3677.224       71.54029  3690.738       
101.7091  3663.991       100.6458  601.3489 8.317287 599.1814 8.260113 
2.167480       11.72206 
1 1 1 -8  12 16 o 243.1255 6.591749 602.7858       32.58987  0.000000       
0.000000  602.7858       32.58987  ?        ?        243.1255 6.591749 
0.000000       6.591749 
1 1 1 -8  12 17 o 170.2033 5.249510 295.2113       18.16930  284.5610       
25.31016  306.5354       26.09851  166.9144 7.456750 173.2444 7.408070 
-6.329971      10.51107 
1 1 1 -8  12 18 o 367.0755 4.826223 1373.036       36.02585  1361.297       
50.86591  1384.852       51.03098  365.0984 6.851182 368.2522 6.814549 
-3.153839      9.663166 
1 1 1 -8  12 19 o 40.01714 15.14657 12.23675       16.91065  32.23055       
20.30908  -32.96597      30.53689  55.20190 16.68127 34.86078 16.45761 
20.34112       23.43326 
1 1 1 -8  12 20 o 170.2040 8.290989 297.0290       28.69641  0.000000       
0.000000  297.0290       28.69641  ?        ?        170.2040 8.290989 
0.000000       8.290989 
1 1 1 -8  12 21 o 32.78969 14.00685 0.1488110      16.53958  19.48058       
23.91567  -17.57345      22.89846  48.31475 18.07051 32.17294 14.87497 
16.14182       23.40530 
1 1 1 -8  12 22 o 69.92226 13.82828 52.78084       18.96576  30.29759       
27.57794  72.95638       26.12432  55.71466 19.60839 81.80466 16.27679 
-26.09000      25.48378 
1 1 1 -8  12 23 o 45.33929 15.86605 19.85983       18.04235  10.48975       
26.87500  27.54801       24.34382  45.27009 18.47340 52.70364 18.43039 
-7.433548      26.09494 
1 1 1 -8  12 24 o 49.15608 16.21292 25.47357       18.80874  9.686265       
26.38975  41.77316       26.81449  44.15254 18.19450 61.18305 19.29078 
-17.03051      26.51743 
1 1 1 -8  12 25 o 143.5159 7.558125 214.1299       21.98022  206.3408       
31.76894  221.2825       30.44289  138.9867 11.33911 144.4857 10.43132 
-5.498962      15.40740 
1 1 1 -8  13 1  o 160.9657 3.815658 263.5254       12.48977  275.7773       
17.82489  251.7082       17.50583  164.6410 5.323991 157.2896 5.473074 
7.351395       7.635406 
1 1 1 -8  13 2  o 180.4707 3.627286 331.2527       13.31190  354.9677       
19.10229  308.8625       18.56109  186.7944 5.028867 174.2376 5.238540 
12.55681       7.261667 
1 1 1 -8  13 3  o 149.7387 3.642277 228.0435       11.09069  241.1783       
15.84638  215.4317       15.52767  153.9694 5.061090 145.5161 5.247398 
8.453369       7.290393 
1 1 1 -8  13 4  o 424.1974 4.391369 1830.392       37.88082  1845.427       
53.86301  1815.679       53.28482  425.8438 6.219978 422.3986 6.203397 
3.445160       8.784660 
1 1 1 -8  13 5  o 828.3344 7.182157 6984.268       120.9796  6993.277       
171.3392  6975.310       170.8438  828.4008 10.17103 827.3388 10.15463 
1.061951       14.37242 
1 1 1 -8  13 6  o 790.2774 6.915555 6356.501       111.1368  6396.924       
158.1180  6317.032       156.2412  792.3820 9.812854 787.4274 9.757389 
4.954651       13.83831 
1 1 1 -8  13 7  o 543.9415 6.064135 3010.567       67.07681  2892.983       
114.6870  3071.701       82.69572  532.8087 10.58501 549.3365 7.402751 
-16.52789      12.91678 
1 1 1 -8  13 8  o 427.8629 4.556572 1862.122       39.64553  1831.411       
55.58544  1893.922       56.56182  424.2333 6.443248 431.4125 6.447320 
-7.179169      9.115008 
1 1 1 -8  13 9  o 304.2296 4.766920 941.5007       29.49108  926.9615       
35.53055  973.7012       52.87672  301.8390 5.788620 309.2408 8.408456 
-7.401794      10.20834 
1 1 1 -8  13 10 o 597.7136 5.668924 3635.000       68.90414  3663.407       
98.07746  3607.315       96.82494  599.8374 8.040523 595.2317 7.999260 
4.605713       11.34188 
1 1 1 -8  13 11 o 362.9955 6.314231 1341.050       46.60936  1318.725       
67.03595  1361.942       64.84958  359.7687 9.162901 365.6513 8.721448 
-5.882629      12.65000 
1 1 1 -8  13 12 o 332.2290 5.119517 1123.115       34.58740  1210.445       
64.32887  1087.604       41.02124  344.6158 9.179505 326.8786 6.171217 
17.73721       11.06107 
1 1 1 -8  13 13 o 89.29042 10.77111 82.56541       19.16270  0.000000       
0.000000  82.56541       19.16270  ?        ?        89.29042 10.77111 
0.000000       10.77111 
1 1 1 -8  13 14 o 209.6430 5.489705 447.4851       23.40350  445.3445       
41.77708  448.4641       28.25289  208.8243 9.837970 209.8067 6.622045 
-0.9823608     11.85905 
1 1 1 -8  13 15 o 212.4956 5.602610 459.9524       24.20983  446.8311       
42.22441  466.3785       29.54930  209.0350 9.933289 213.8832 6.793899 
-4.848160      12.03442 
1 1 1 -8  13 16 o 111.3575 13.86900 129.7025       30.72565  129.7025       
30.72565  0.000000       0.000000  111.3575 13.86900 ?        ?        
0.000000       13.86900 
1 1 1 -8  13 17 o 157.3074 6.343299 252.4678       20.29157  250.7762       
34.22040  253.3851       25.19983  155.8992 10.86204 157.4479 7.870628 
-1.548630      13.41383 
1 1 1 -8  13 18 o 128.3194 7.556271 168.9254       19.63044  145.2244       
33.98436  180.7932       24.04814  117.4713 14.53678 132.5295 8.976062 
-15.05828      17.08472 
1 1 1 -8  13 19 o 42.48317 15.61636 15.28040       17.71677  46.59333       
31.23893  0.4332433      21.51077  66.20405 20.81403 37.46239 15.98757 
28.74166       26.24550 
1 1 1 -8  13 20 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -8  13 21 o 26.03271 12.45492 -25.07738      18.68678  -3.895769      
32.47113  -35.56626      22.84979  43.93098 19.19391 27.63798 13.36146 
16.29301       23.38663 
1 1 1 -8  13 22 o 226.8622 6.558248 526.7582       30.25529  537.7703       
54.75912  521.9193       36.29898  227.2278 11.89203 225.4791 7.916565 
1.748749       14.28609 
1 1 1 -8  13 23 o 204.3707 6.820194 428.4460       28.34437  414.1366       
51.74654  434.5796       33.87883  198.3140 12.90167 205.4550 8.108871 
-7.140991      15.23834 
1 1 1 -8  13 24 o 47.80063 17.42740 21.75150       21.99966  7.760262       
39.24322  28.16368       26.56680  50.45200 21.56420 53.13502 19.18479 
-2.683022      28.86297 
1 1 1 -8  13 25 o 79.90401 14.58114 71.63627       22.81952  106.9787       
39.14639  53.44540       28.08473  93.89628 21.02499 66.91505 19.46704 
26.98122       28.65337 
1 1 1 -8  14 1  o 436.3593 4.500079 1936.847       39.93151  1867.248       
55.03694  2014.208       58.02482  428.3587 6.318228 444.8905 6.413708 
-16.53186      9.003091 
1 1 1 -8  14 2  o 454.6124 4.588382 2102.326       42.41820  2131.051       
60.57057  2074.680       59.42270  457.6029 6.509107 451.5124 6.471891 
6.090515       9.178989 
1 1 1 -8  14 3  o 470.9523 4.673309 2256.221       44.75616  2243.021       
63.08420  2269.600       63.50746  469.4610 6.607994 472.2339 6.613268 
-2.772919      9.348845 
1 1 1 -8  14 4  o 161.4272 3.694363 265.0353       12.12740  256.1662       
17.08783  274.0362       17.21433  158.6784 5.295630 164.1223 5.157879 
-5.443924      7.392389 
1 1 1 -8  14 5  o 467.3136 4.683120 2221.476       44.50359  2228.482       
63.10567  2214.545       62.77083  467.9397 6.631734 466.4751 6.617258 
1.464630       9.368457 
1 1 1 -8  14 6  o 942.4613 8.055185 9043.428       154.3798  9078.320       
219.1656  9009.065       217.4960  943.6365 11.42132 940.0400 11.37767 
3.596497       16.12135 
1 1 1 -8  14 7  o 293.9238 4.598298 878.7726       27.48421  784.6916       
47.74750  925.3911       33.61077  277.6035 8.458127 301.5923 5.480332 
-23.98871      10.07839 
1 1 1 -8  14 8  o 767.3511 6.778434 5992.538       105.7730  5976.608       
149.2746  6008.602       149.8987  765.9774 9.583374 768.0228 9.597814 
-2.045349      13.56315 
1 1 1 -8  14 9  o 354.2425 4.947303 1276.565       35.63860  1261.195       
43.06558  1309.960       63.48128  352.0609 6.015354 358.6557 8.703953 
-6.594818      10.58033 
1 1 1 -8  14 10 o 97.15565 6.123617 96.43686       12.03648  86.24660       
16.62479  107.6632       17.44945  91.57152 9.046061 102.4721 8.449174 
-10.90060      12.37820 
1 1 1 -8  14 11 o 447.7686 5.520425 2040.201       50.26638  2077.249       
62.59699  1972.938       84.34554  451.7220 6.814450 439.9915 9.426847 
11.73050       11.63195 
1 1 1 -8  14 12 o 349.5403 4.456519 1243.035       31.67703  1301.603       
46.34370  1191.678       43.39746  357.5651 6.373590 342.1424 6.237435 
15.42273       8.917862 
1 1 1 -8  14 13 o 464.1299 5.725092 2193.046       54.03479  2202.359       
93.52747  2188.380       66.20133  464.5325 9.900832 463.4885 7.023869 
1.043976       12.13924 
1 1 1 -8  14 14 o 183.8482 5.643913 344.2062       21.10042  336.8799       
37.04969  347.7232       25.67024  181.2935 10.08960 184.7178 6.833917 
-3.424301      12.18616 
1 1 1 -8  14 15 o 71.23720 9.803350 52.86271       13.82520  66.47791       
20.14170  40.73347       19.01083  79.46207 12.90775 61.65008 15.24866 
17.81199       19.97828 
1 1 1 -8  14 16 f 108.4520 7.070947 120.5470       15.50901  127.4773       
21.57692  113.1395       22.30743  111.1722 9.639667 104.5124 10.64474 
6.659790       14.36084 
1 1 1 -8  14 17 o 63.79978 11.45768 43.10461       14.31875  25.50439       
20.03034  61.49776       20.47657  50.56294 16.73374 76.01737 13.75251 
-25.45443      21.65986 
1 1 1 -8  14 18 o 186.1580 5.269447 353.3503       19.94795  370.0696       
27.79905  335.6029       28.64110  190.2821 7.184235 181.1237 7.776121 
9.158417       10.58684 
1 1 1 -8  14 19 o 34.64540 13.82660 6.534651       14.68505  24.02435       
20.43513  -12.14215      21.11725  49.54960 16.90660 32.30510 14.69088 
17.24450       22.39766 
1 1 1 -8  14 20 o 272.6795 7.045635 760.9225       39.06826  0.000000       
0.000000  760.9225       39.06826  ?        ?        272.6795 7.045635 
0.000000       7.045635 
1 1 1 -8  14 21 o 106.6188 8.490249 117.4874       18.25541  119.0745       
26.18191  115.9858       25.46702  106.4043 12.32856 105.0494 12.14549 
1.354866       17.30625 
1 1 1 -8  14 22 o 57.01122 15.22340 35.46574       17.98129  24.51308       
25.76465  45.86629       25.10688  51.73587 18.86014 64.52462 18.29403 
-12.78875      26.27501 
1 1 1 -8  14 23 o 85.63604 11.19745 77.62559       19.03267  104.9144       
27.42723  52.27973       26.43281  98.77798 14.05035 68.21149 18.56111 
30.56648       23.27933 
1 1 1 -8  14 24 o 100.5850 9.751368 106.4362       19.69521  152.4889       
29.32554  68.59589       26.58250  119.5035 12.24012 77.72747 17.26670 
41.77600       21.16506 
1 1 1 -8  14 25 o 116.5226 8.921451 143.0304       20.97901  162.9554       
30.32700  124.7461       29.05168  122.5475 12.33727 106.2702 13.76693 
16.27728       18.48612 
1 1 1 -8  15 1  o 285.6495 5.353717 830.1452       31.09856  0.000000       
0.000000  830.1452       31.09856  ?        ?        285.6495 5.353717 
0.000000       5.353717 
1 1 1 -8  15 2  o 358.1566 4.056956 1304.727       29.54776  1258.511       
40.76207  1355.902       42.89302  351.6959 5.699509 365.0470 5.778118 
-13.35114      8.116098 
1 1 1 -8  15 3  o 428.5784 4.430468 1868.380       38.61281  1894.899       
55.20068  1842.973       54.03160  431.5168 6.290647 425.5659 6.243521 
5.950867       8.863057 
1 1 1 -8  15 4  o 707.4392 6.300450 5092.943       90.63837  4995.342       
126.0430  5197.462       130.4338  700.3383 8.850327 714.3486 8.979011 
-14.01038      12.60757 
1 1 1 -8  15 5  o 347.8330 4.037740 1230.588       28.56016  1185.259       
39.50712  1280.209       41.33519  341.3086 5.692155 354.7146 5.730460 
-13.40607      8.077054 
1 1 1 -8  15 6  o 51.90535 7.996094 28.06971       8.168989  32.06445       
11.52781  24.04029       11.57775  55.16061 10.66278 47.63060 11.96802 
7.530010       16.02899 
1 1 1 -8  15 7  o 130.3869 5.205334 172.9542       13.80175  207.0317       
28.01800  162.0356       15.85944  142.2236 9.746335 126.1898 6.180340 
16.03386       11.54070 
1 1 1 -8  15 8  o 202.4067 3.955193 416.6894       16.27961  429.8553       
23.38234  404.3031       22.67943  205.5461 5.594064 199.3433 5.594730 
6.202805       7.911672 
1 1 1 -8  15 9  o 199.9967 4.803077 406.8987       19.53412  396.0890       
23.26679  432.7170       35.95790  197.2995 5.799077 206.1305 8.578288 
-8.830963      10.35453 
1 1 1 -8  15 10 o 235.0646 4.710557 562.1215       22.51702  562.9794       
28.00338  560.5522       37.87442  235.2094 5.854697 234.6199 7.938340 
0.5894623      9.863808 
1 1 1 -8  15 11 f 227.6238 4.355724 527.0940       20.16181  546.4942       
28.69432  508.1762       28.33527  231.7160 6.089595 223.4393 6.236148 
8.276764       8.716233 
1 1 1 -8  15 12 o 644.5595 6.043891 4229.404       79.21931  4207.625       
111.8978  4251.289       112.1687  642.5018 8.564378 645.8312 8.540855 
-3.329407      12.09524 
1 1 1 -8  15 13 o 222.5562 5.112527 504.1695       23.13805  445.4051       
38.81599  536.5593       28.81762  208.9335 9.135896 229.5363 6.173840 
-20.60275      11.02637 
1 1 1 -8  15 14 f 121.5939 6.329125 151.0553       15.59566  110.6337       
22.43063  188.8822       21.69876  103.4371 10.82415 135.8454 7.888833 
-32.40829      13.39387 
1 1 1 -8  15 15 o 197.0539 4.841456 395.4254       19.40048  394.6035       
27.53986  396.2349       27.33413  196.6933 6.885266 197.1053 6.819546 
-0.4120178     9.690877 
1 1 1 -8  15 16 f 149.2372 6.275326 227.1645       19.04429  228.9532       
23.50905  223.7498       32.48132  149.5014 7.759511 147.2497 10.92535 
2.251663       13.40050 
1 1 1 -8  15 17 o 251.7222 4.678858 645.5811       23.95040  627.9302       
32.95459  665.3417       34.86833  248.0170 6.534060 255.2696 6.717081 
-7.252655      9.370866 
1 1 1 -8  15 18 f 247.2524 4.826293 623.1182       24.26642  696.6260       
35.95471  561.6224       32.88604  261.1195 6.771191 234.4348 6.898238 
26.68475       9.666163 
1 1 1 -8  15 19 o 127.7071 6.658405 167.1557       17.23177  174.2328       
23.98998  159.6126       24.76740  129.9424 9.136909 124.1836 9.889620 
5.758766       13.46431 
1 1 1 -8  15 20 o 195.3991 7.872480 391.4745       31.28135  0.000000       
0.000000  391.4745       31.28135  ?        ?        195.3991 7.872480 
0.000000       7.872480 
1 1 1 -8  15 21 o 136.8930 6.944458 192.3739       19.26843  190.9049       
26.74243  193.9598       27.78693  135.7418 9.753051 136.7473 10.06311 
-1.005524      14.01386 
1 1 1 -8  15 22 o 155.3963 6.783476 247.4185       21.43603  273.5545       
31.04150  223.5933       29.63745  162.5593 9.430831 146.7492 9.990939 
15.81012       13.73897 
1 1 1 -8  15 23 o 162.6176 6.730962 271.4622       22.25851  222.9560       
31.28799  321.1667       31.67211  145.9899 10.61167 176.0504 8.875408 
-30.06044      13.83403 
1 1 1 -8  15 24 o 40.37391 15.70372 12.49152       18.52081  9.598391       
25.99825  15.47270       26.39091  43.54999 18.01315 46.38286 18.52745 
-2.832867      25.84067 
1 1 1 -8  15 25 f 81.70916 12.26824 73.30356       19.75508  60.57133       
28.84145  84.55650       27.11427  70.62051 19.45985 85.73267 16.14484 
-15.11217      25.28521 
1 1 1 -8  16 1  o 774.1099 7.855599 6101.170       123.6612  6264.808       
221.2744  6026.851       149.1218  783.2988 13.89160 769.1352 9.534262 
14.16357       16.84870 
1 1 1 -8  16 2  f 350.8224 4.013749 1251.837       28.63446  1276.878       
41.00699  1228.008       40.00218  354.2514 5.692393 347.4074 5.662303 
6.844055       8.029011 
1 1 1 -8  16 3  o 320.9062 3.874710 1047.414       25.28534  1097.486       
36.73771  1002.344       34.85432  328.4333 5.500643 313.8760 5.460685 
14.55728       7.750881 
1 1 1 -8  16 4  o 377.7079 4.161595 1451.092       31.96446  1467.726       
45.47777  1434.851       44.93624  379.7960 5.888400 375.5187 5.884557 
4.277344       8.324739 
1 1 1 -8  16 5  o 92.74858 4.796617 87.74231       9.015825  94.66783       
12.56770  80.39913       12.94110  96.23271 6.459625 88.57853 7.247889 
7.654182       9.708690 
1 1 1 -8  16 6  f 407.9347 4.370474 1692.691       36.25523  1675.895       
50.82573  1710.092       51.73153  405.8250 6.158762 409.9421 6.205565 
-4.117065      8.742962 
1 1 1 -8  16 7  o 110.1501 5.752503 123.7880       12.84055  138.8046       
25.09293  118.4608       14.94560  116.2059 10.74021 107.6669 6.861957 
8.539032       12.74514 
1 1 1 -8  16 8  o 290.7296 3.982094 859.7061       23.54248  817.7647       
32.39009  906.6799       34.27827  283.5007 5.618322 298.5145 5.646795 
-15.01379      7.965666 
1 1 1 -8  16 9  o 200.3633 4.862887 408.4117       19.81362  419.5775       
23.84943  383.5362       35.59750  203.0607 5.775647 194.0347 9.021707 
9.026047       10.71211 
1 1 1 -8  16 10 o 166.6666 5.082730 282.6270       17.22650  308.9878       
21.67582  237.4326       28.38167  174.2394 6.117554 152.3666 9.203220 
21.87280       11.05096 
1 1 1 -8  16 11 o 338.3732 4.331043 1164.827       29.80162  1194.019       
42.71616  1137.143       41.59779  342.4887 6.133305 334.2329 6.120256 
8.255798       8.664581 
1 1 1 -8  16 12 o 168.6584 4.893646 289.4797       16.78387  281.8351       
23.99252  296.8059       23.48748  166.3364 7.093118 170.7112 6.765862 
-4.374786      9.802511 
1 1 1 -8  16 13 o 377.8203 4.593654 1452.820       35.29352  1451.400       
50.36942  1454.191       49.46795  377.4458 6.562372 377.8224 6.438500 
-0.3766174     9.193422 
1 1 1 -8  16 14 o 278.6511 4.473722 790.3922       25.35019  755.8083       
35.69903  825.5696       36.00407  272.3182 6.446565 284.6318 6.220379 
-12.31360      8.958310 
1 1 1 -8  16 15 o 234.4588 4.596014 559.7623       21.91287  594.8602       
31.64776  527.4400       30.37064  241.5234 6.443657 227.4121 6.567332 
14.11125       9.200574 
1 1 1 -8  16 16 o 95.61635 8.356339 94.20755       16.08478  106.0993       
19.80117  71.13850       27.57929  101.2909 9.733067 81.16969 17.24078 
20.12118       19.79841 
1 1 1 -8  16 17 o 134.1089 5.931240 183.4970       16.17538  191.9293       
22.35781  174.2359       23.43078  136.7212 8.077447 130.1031 8.909855 
6.618118       12.02625 
1 1 1 -8  16 18 o 187.7644 5.308366 359.5826       20.26868  386.6283       
28.12724  330.3681       29.23323  194.4576 7.112967 179.6206 8.003301 
14.83699       10.70734 
1 1 1 -8  16 19 o 106.2039 7.754097 116.1518       16.63073  132.4260       
23.62584  100.1676       23.41439  112.8980 10.40800 97.67258 12.04361 
15.22545       15.91775 
1 1 1 -8  16 20 o 114.2412 10.88763 136.0696       24.98734  0.000000       
0.000000  136.0696       24.98734  ?        ?        114.2412 10.88763 
0.000000       10.88763 
1 1 1 -8  16 21 o 45.16720 15.32614 20.16683       16.79217  21.92500       
23.46457  18.32116       24.04136  49.32560 17.99601 47.62407 18.05166 
1.701538       25.48958 
1 1 1 -8  16 22 o 67.48751 13.54517 49.36589       17.94298  55.54012       
25.52549  43.33496       25.22755  70.64236 17.78157 62.73771 18.50730 
7.904655       25.66524 
1 1 1 -8  16 23 o 105.5570 9.215285 116.2797       19.58262  145.5972       
28.23509  89.10651       27.18288  117.2224 12.01451 90.18092 15.37414 
27.04147       19.51186 
1 1 1 -8  16 24 o 131.9563 8.100472 181.2792       21.63149  149.9592       
30.43609  213.2473       30.74942  117.8448 12.91207 141.9476 10.73193 
-24.10278      16.78975 
1 1 1 -8  16 25 o 78.58353 12.80072 68.55656       19.75161  87.05637       
28.45201  51.34768       27.44138  86.37141 16.80395 64.95074 19.33730 
21.42067       25.61843 
1 1 1 -8  17 1  o 456.9664 5.397616 2124.606       50.15771  2114.822       
88.92726  2129.170       60.74173  455.5863 9.598710 457.3866 6.530588 
-1.800354      11.60964 
1 1 1 -8  17 2  o 473.7698 4.690792 2283.332       45.19235  2245.830       
63.08644  2322.862       64.77007  469.7499 6.604164 477.7338 6.667099 
-7.983887      9.384306 
1 1 1 -8  17 3  o 87.67141 4.665630 78.41058       8.288080  82.05348       
11.74516  74.79736       11.69722  89.55711 6.493337 85.45750 6.786902 
4.099617       9.392841 
1 1 1 -8  17 4  o 261.6771 3.641637 696.4322       19.37822  671.4725       
26.93870  723.1978       27.89626  256.9077 5.156416 266.6196 5.145201 
-9.711884      7.284347 
1 1 1 -8  17 5  o 591.4678 5.482133 3559.326       65.93744  3448.195       
90.79884  3683.322       95.91020  581.9786 7.672235 601.4763 7.841423 
-19.49768      10.97046 
1 1 1 -8  17 6  o 276.8079 3.779367 779.3160       21.27399  776.3400       
29.88812  782.3721       30.28779  276.2366 5.320665 277.3061 5.371020 
-1.069458      7.560247 
1 1 1 -8  17 7  o 290.9377 3.906593 860.9310       23.11264  871.9934       
32.83554  850.0676       32.53889  292.7517 5.515608 289.0470 5.535831 
3.704712       7.814561 
1 1 1 -8  17 8  f 324.1238 4.090913 1068.592       26.96390  1033.454       
37.39888  1106.630       38.91149  318.6890 5.770854 329.7774 5.802371 
-11.08841      8.183537 
1 1 1 -8  17 9  o 411.3343 5.279375 1721.544       44.15998  1723.063       
53.57197  1718.325       78.00231  411.4472 6.402832 410.6406 9.341017 
0.8065796      11.32479 
1 1 1 -8  17 10 o 119.7411 6.273726 146.3467       15.22323  133.7760       
18.68521  171.1634       26.25360  114.3122 8.090371 129.1702 10.07448 
-14.85803      12.92088 
1 1 1 -8  17 11 o 61.75067 10.05873 39.89975       12.19612  52.66342       
17.09267  26.66161       17.40747  70.78078 12.32296 50.89010 15.45838 
19.89067       19.76909 
1 1 1 -8  17 12 o 300.3929 4.939289 918.3907       30.17210  875.3809       
49.85245  943.2519       37.90216  293.0058 8.366789 304.3514 6.124030 
-11.34555      10.36855 
1 1 1 -8  17 13 o 211.5239 4.581808 455.4051       19.70824  448.1076       
27.84480  462.7307       27.89861  209.7086 6.529448 213.1092 6.437673 
-3.400620      9.169369 
1 1 1 -8  17 14 o 283.1721 4.437236 816.3141       25.55138  829.4905       
36.61354  803.8046       35.67496  285.2687 6.311553 280.8242 6.247087 
4.444427       8.880416 
1 1 1 -8  17 15 f 273.2475 4.500147 760.3289       25.00543  798.0143       
35.62202  723.7199       35.10958  279.7361 6.262079 266.3683 6.481742 
13.36789       9.012581 
1 1 1 -8  17 16 o 158.2545 6.143218 255.5076       19.76985  259.4092       
24.24850  247.7725       34.14269  159.3279 7.484135 154.9070 10.90831 
4.420837       13.22888 
1 1 1 -8  17 17 o 100.3246 7.372390 103.4547       14.93532  103.0518       
20.97444  103.8691       21.27217  99.57463 10.51750 99.95019 10.62900 
-0.3755569     14.95304 
1 1 1 -8  17 18 o 300.3340 5.482511 920.3254       33.48386  902.3325       
40.15933  961.3606       60.64774  297.1416 6.646173 305.8096 9.752413 
-8.668060      11.80174 
1 1 1 -8  17 19 o 80.61227 9.736223 67.82925       15.63708  60.57427       
22.33473  74.80457       21.90003  74.79401 15.20277 83.84847 13.28693 
-9.054459      20.19076 
1 1 1 -8  17 20 o 213.0273 7.581115 465.2968       32.84125  0.000000       
0.000000  465.2968       32.84125  ?        ?        213.0273 7.581115 
0.000000       7.581115 
1 1 1 -8  17 21 o 173.9939 6.084684 309.6177       21.52898  294.2810       
29.87486  326.1873       31.05242  168.8934 8.728275 178.0784 8.574974 
-9.185043      12.23573 
1 1 1 -8  17 22 o 160.0637 6.572236 262.5863       21.39230  300.6008       
30.89342  227.5671       29.65136  170.4591 8.943616 147.9482 9.912937 
22.51093       13.35120 
1 1 1 -8  17 23 o 101.4093 9.860332 107.9326       20.07677  128.6277       
29.62514  90.35523       27.30255  109.3415 13.61884 90.69296 15.35173 
18.64858       20.52190 
1 1 1 -8  17 24 o 36.02262 15.55780 0.7851568      20.82989  1.150685       
25.08636  -0.2632504E-01 37.37807  39.27808 17.01847 46.28994 20.39805 
-7.011856      26.56519 
1 1 1 -8  17 25 f 26.00930 12.37309 -19.57848      17.90154  -18.22124      
26.01789  -20.79865      24.66911  33.25632 15.53804 31.57316 14.87086 
1.683163       21.50751 
1 1 1 -8  18 1  o 399.0316 4.311874 1619.686       34.98845  1609.632       
73.04458  1622.680       39.85861  397.4887 9.036740 399.3737 4.907850 
-1.885010      10.28347 
1 1 1 -8  18 2  o 534.4988 5.082719 2906.542       55.24517  2843.528       
76.77428  2974.207       79.55695  528.5179 7.143395 540.5174 7.237974 
-11.99951      10.16938 
1 1 1 -8  18 3  o 115.0051 4.059282 134.5302       9.493313  130.2197       
13.42657  138.8393       13.42457  112.9726 5.864580 116.8118 5.651482 
-3.839203      8.144479 
1 1 1 -8  18 4  f 353.4396 4.007679 1270.604       28.80445  1247.350       
40.22524  1295.076       41.26598  350.1274 5.649644 356.7611 5.688047 
-6.633667      8.017005 
1 1 1 -8  18 5  o 361.2174 4.067375 1327.155       29.87681  1316.884       
42.04125  1337.635       42.46635  359.7496 5.746770 362.5724 5.759685 
-2.822815      8.136298 
1 1 1 -8  18 6  o 491.2796 4.843374 2455.344       48.38694  2445.396       
68.24725  2465.398       68.61316  490.1519 6.847042 492.1517 6.855782 
-1.999786      9.689361 
1 1 1 -8  18 7  o 284.6875 3.904457 824.3557       22.60375  823.9031       
31.75896  824.8204       32.17822  284.5594 5.488352 284.7151 5.557763 
-0.1557617     7.810937 
1 1 1 -8  18 8  o 146.9980 4.390011 219.8138       13.12286  222.1145       
18.61754  217.5420       18.50006  147.7297 6.197308 146.2006 6.222609 
1.529083       8.782226 
1 1 1 -8  18 9  o 247.0748 4.697257 621.0743       23.60066  605.7960       
28.48241  654.5439       42.15652  243.9800 5.740781 253.4876 8.178181 
-9.507538      9.991957 
1 1 1 -8  18 10 o 57.68332 10.32615 34.96776       11.66790  45.19755       
16.52880  24.80674       16.47315  65.37720 12.89079 49.19233 15.05757 
16.18487       19.82178 
1 1 1 -8  18 11 o 301.2108 6.064311 923.7355       37.14526  923.7355       
37.14526  0.000000       0.000000  301.2108 6.064311 ?        ?        
0.000000       6.064311 
1 1 1 -8  18 12 o 59.41315 11.72988 37.36042       13.66889  6.961277       
22.39007  55.42133       17.25816  41.49385 16.88898 72.63599 12.11040 
-31.14214      20.78219 
1 1 1 -8  18 13 o 409.4384 4.720738 1706.603       39.30518  1746.357       
56.60276  1669.583       54.62199  413.9179 6.724686 404.7303 6.636671 
9.187561       9.448111 
1 1 1 -8  18 14 o 155.7476 5.207589 247.0955       16.49337  246.4590       
23.37298  247.7267       23.27761  155.4014 7.396183 155.8044 7.346952 
-0.4029846     10.42503 
1 1 1 -8  18 15 o 214.2727 4.642850 467.6476       20.23033  454.0226       
28.10220  482.3039       29.14637  210.9446 6.551194 217.4105 6.592535 
-6.465881      9.294066 
1 1 1 -8  18 16 o 235.4237 5.285756 565.0390       25.30513  576.8801       
31.13493  541.9945       43.43464  237.7245 6.440544 229.9351 9.289224 
7.789337       11.30355 
1 1 1 -8  18 17 o 106.5485 6.820801 116.4772       14.70106  141.7101       
20.78158  91.20122       20.79930  117.2484 8.779804 93.44394 11.16698 
23.80441       14.20515 
1 1 1 -8  18 18 o 139.3900 6.956964 198.7196       19.71982  191.4547       
23.13109  218.0465       37.72776  136.3878 8.380642 144.4170 12.98552 
-8.029236      15.45506 
1 1 1 -8  18 19 o 74.70203 10.69053 58.74269       15.77679  60.43299       
22.27422  57.04095       22.34949  74.65833 15.18836 72.38326 15.64033 
2.275078       21.80152 
1 1 1 -8  18 20 o 47.64495 16.34902 22.32623       19.11233  -24.52390      
34.78094  42.59248       22.87560  39.72026 18.35323 62.34369 17.38776 
-22.62343      25.28191 
1 1 1 -8  18 21 o 54.27542 14.82337 32.05254       16.82253  42.85824       
24.64157  22.62042       23.02219  62.49134 18.25041 49.42215 17.85686 
13.06919       25.53321 
1 1 1 -8  18 22 o 57.41142 15.11659 36.27243       17.89128  54.88176       
26.19108  19.99142       24.49789  69.93088 18.23069 48.40088 18.25193 
21.53000       25.79712 
1 1 1 -8  18 23 o 192.5539 6.067407 380.5574       23.75784  393.9705       
34.23286  368.0941       32.99844  194.9827 8.633676 188.4806 8.609450 
6.502106       12.19274 
1 1 1 -8  18 24 o 47.74387 17.54560 22.65030       22.36254  40.68161       
26.45200  -22.52026      41.86706  59.28306 19.21005 42.92428 19.93923 
16.35878       27.68752 
1 1 1 -8  18 25 o 35.81906 15.06655 5.431633       18.64533  -22.78920      
27.63650  29.00835       25.26037  33.19671 15.66728 51.17823 18.67195 
-17.98152      24.37428 
1 1 1 -8  19 1  o 167.7143 4.609324 286.1555       15.72022  240.3263       
30.55480  302.6537       18.33274  153.2321 9.858013 172.4676 5.227189 
-19.23555      11.15813 
1 1 1 -8  19 2  o 47.10077 7.960052 23.21511       7.352521  16.43019       
10.84762  28.98123       10.00009  40.07408 12.20960 52.49431 9.726024 
-12.42023      15.60993 
1 1 1 -8  19 3  o 625.0515 5.694921 3975.526       72.38607  4078.015       
104.5843  3881.282       100.2895  632.7993 8.127350 617.3636 7.988457 
15.43573       11.39602 
1 1 1 -8  19 4  o 540.0851 5.123558 2967.697       56.27108  2911.011       
78.41007  3027.894       80.80250  534.7372 7.210743 545.3597 7.286019 
-10.62250      10.25090 
1 1 1 -8  19 5  o 243.4727 3.668712 602.9240       18.16416  604.7601       
25.53967  601.0446       25.83895  243.8048 5.151357 243.0523 5.227856 
0.7524261      7.339411 
1 1 1 -8  19 6  o 377.7546 4.201736 1451.540       32.27677  1450.613       
45.57362  1452.473       45.71922  377.5526 5.935872 377.7937 5.951036 
-0.2410889     8.405320 
1 1 1 -8  19 7  o 251.7389 3.839108 644.5939       19.65314  623.7492       
27.26370  667.1422       28.35595  247.5888 5.415049 256.0551 5.445772 
-8.466263      7.679791 
1 1 1 -8  19 8  o 230.3774 4.754794 539.9733       22.27527  508.0023       
40.35340  553.9846       26.71406  223.2795 8.887503 233.3179 5.630414 
-10.03838      10.52090 
1 1 1 -8  19 9  o 490.6030 5.704381 2449.694       56.91021  2457.857       
70.29049  2434.161       96.96374  491.2930 7.035656 488.5794 9.759391 
2.713531       12.03105 
1 1 1 -8  19 10 o 234.6882 4.179595 560.3596       19.94697  562.2542       
28.25206  558.4764       28.16668  235.0135 5.911612 234.2225 5.913648 
0.7909393      8.361722 
1 1 1 -8  19 11 o 324.0302 4.311376 1068.368       28.40879  1061.012       
40.16358  1075.734       40.18863  322.7890 6.118744 325.0237 6.080465 
-2.234711      8.626185 
1 1 1 -8  19 12 o 220.1312 4.964855 493.3054       22.22489  538.6919       
37.59393  468.9205       27.55593  229.8068 8.044581 214.5404 6.316180 
15.26634       10.22787 
1 1 1 -8  19 13 o 125.6340 5.727351 160.8061       14.63230  163.9356       
20.95350  157.8273       20.44236  126.4573 8.192238 124.0746 8.147357 
2.382721       11.55388 
1 1 1 -8  19 14 o 295.1318 4.423710 886.9130       26.54937  883.8969       
37.47364  889.9527       37.61974  294.4167 6.259101 295.4232 6.262097 
-1.006470      8.853825 
1 1 1 -8  19 15 o 242.8996 4.517365 600.9689       22.31328  626.3437       
32.19383  577.5106       30.95416  247.7531 6.390018 237.8979 6.398481 
9.855179       9.042836 
1 1 1 -8  19 16 o 121.8933 7.051291 152.3326       17.40368  173.0630       
21.62438  114.2148       29.32267  129.7622 8.237607 104.0194 14.23599 
25.74281       16.44754 
1 1 1 -8  19 17 o 73.80270 9.577217 56.86581       14.03466  62.41372       
19.46576  50.85967       20.25369  76.62318 12.95459 68.59135 14.94324 
8.031837       19.77680 
1 1 1 -8  19 18 o 208.4823 5.826514 443.8661       24.70184  454.0787       
29.72221  421.0591       44.41680  210.6758 6.937693 201.6914 10.86963 
8.984329       12.89497 
1 1 1 -8  19 19 o 282.4207 4.882432 813.7931       28.04040  827.7254       
40.09241  800.4525       39.23183  284.3302 6.934064 279.6163 6.899611 
4.713867       9.781916 
1 1 1 -8  19 20 o 47.22908 15.23737 23.04820       16.65635  35.81036       
25.55116  13.61720       21.96481  58.22978 18.88129 43.87182 17.09118 
14.35796       25.46786 
1 1 1 -8  19 21 o 63.40628 18.35816 44.35797       25.02989  44.35797       
25.02989  0.000000       0.000000  63.40628 18.35816 ?        ?        
0.000000       18.35816 
1 1 1 -8  19 22 o 75.72261 12.04162 61.41193       17.92140  55.64253       
25.73204  66.84657       24.97432  70.32275 17.93706 77.64159 16.33527 
-7.318840      24.26065 
1 1 1 -8  19 23 o 92.79028 10.82136 91.47347       20.03551  97.18259       
28.02460  85.50465       28.65491  93.83419 15.20725 87.18050 16.77216 
6.653694       22.63992 
1 1 1 -8  19 24 o 61.08049 16.60200 43.43428       21.16134  33.21149       
25.87584  64.07758       36.77048  54.54576 19.00559 71.55326 22.59307 
-17.00750      29.52388 
1 1 1 -8  19 25 o 42.58821 15.88373 18.12969       18.45207  -23.91273      
26.53314  57.50643       25.67820  32.00816 15.17913 68.32083 18.16788 
-36.31268      23.67442 
1 1 1 -8  20 1  o 360.0477 4.848786 1318.968       35.50132  1266.600       
63.12651  1343.192       42.93424  352.5550 8.805081 363.2855 5.811715 
-10.73047      10.55014 
1 1 1 -8  20 2  o 174.5876 4.505355 310.0897       15.99535  280.9845       
32.16875  319.6491       18.43596  165.7565 9.584498 177.2442 5.114960 
-11.48769      10.86395 
1 1 1 -8  20 3  o 472.3727 4.686155 2270.080       45.01455  2257.653       
63.33122  2282.769       63.99434  470.9437 6.612984 473.5534 6.645400 
-2.609741      9.375121 
1 1 1 -8  20 4  o 525.4613 5.033231 2809.234       53.78226  2837.778       
76.59346  2781.472       75.53675  527.9495 7.134243 522.6882 7.106637 
5.261230       10.06984 
1 1 1 -8  20 5  o 466.3964 4.675847 2212.990       44.34727  2232.958       
63.10760  2193.510       62.33261  468.3613 6.625967 464.2076 6.603158 
4.153717       9.354418 
1 1 1 -8  20 6  o 102.4809 4.806107 106.8505       10.01585  118.4372       
13.92281  94.42255       14.41934  107.6801 6.386811 96.00785 7.443816 
11.67226       9.808249 
1 1 1 -8  20 7  o 207.7698 3.887660 439.1084       16.42564  426.5837       
22.92475  452.3215       23.54644  204.7413 5.506145 210.8278 5.492195 
-6.086502      7.777007 
1 1 1 -8  20 8  o 374.6740 6.138476 1428.982       46.76980  1340.339       
66.72517  1514.594       65.57481  362.6233 9.048624 385.5452 8.363929 
-22.92194      12.32205 
1 1 1 -8  20 9  o 184.6814 4.860274 347.0672       18.25304  339.1054       
22.51189  362.3465       31.18586  182.5103 6.065593 188.5678 8.132776 
-6.057495      10.14561 
1 1 1 -8  20 10 o 165.6338 4.567122 279.1695       15.38307  267.7616       
21.47674  291.1884       22.04426  162.1471 6.513401 169.0959 6.410784 
-6.948822      9.139067 
1 1 1 -8  20 11 o 194.0938 4.491594 383.3932       17.72816  395.1562       
25.26042  371.9758       24.88657  196.9609 6.306801 191.0912 6.404317 
5.869690       8.988382 
1 1 1 -8  20 12 o 111.7836 6.254794 127.7214       14.16109  146.8410       
20.24166  109.3926       19.81864  119.6537 8.371697 103.0282 9.568746 
16.62554       12.71402 
1 1 1 -8  20 13 o 306.3100 4.409205 955.2378       27.46457  952.1453       
38.93752  958.2998       38.74475  305.6103 6.265401 306.6030 6.214197 
-0.9927063     8.824483 
1 1 1 -8  20 14 f 202.3342 4.554520 416.9504       18.73973  432.2498       
26.90417  402.5327       26.11729  205.8429 6.427356 198.6372 6.465711 
7.205750       9.116816 
1 1 1 -8  20 15 o 114.2834 6.293642 133.6931       14.56999  147.7551       
20.92657  120.4632       20.29795  119.8214 8.646483 108.0114 9.332944 
11.81001       12.72264 
1 1 1 -8  20 16 o 189.4828 5.714984 366.3420       22.02096  360.9419       
26.70275  377.8215       38.93280  187.9180 6.987731 191.4770 10.03370 
-3.558990      12.22717 
1 1 1 -8  20 17 o 149.1571 5.620888 227.0709       17.04905  225.4370       
23.52258  228.8792       24.74589  148.1519 7.835617 149.2135 8.186646 
-1.061523      11.33217 
1 1 1 -8  20 18 o 86.25531 10.25473 77.75877       17.63465  85.08701       
20.90340  59.66788       32.84336  89.93227 11.70766 73.40426 20.96268 
16.52801       24.01048 
1 1 1 -8  20 19 o 79.09058 10.41129 65.70487       16.33789  31.58276       
23.23569  99.07144       22.97701  55.08878 18.01298 96.99202 11.89903 
-41.90324      21.58829 
1 1 1 -8  20 20 o 169.5569 6.216782 294.1802       21.43545  286.8670       
30.70507  301.1327       29.93808  166.5969 9.097832 170.8335 8.646011 
-4.236557      12.55086 
1 1 1 -8  20 21 o 126.0179 7.598624 163.7516       19.38129  191.0342       
27.92685  138.4019       26.91946  135.4169 10.21662 114.6866 11.70669 
20.73029       15.53789 
1 1 1 -8  20 22 o 114.5417 8.378234 136.2021       19.37956  135.0610       
27.51695  137.3252       27.29803  112.7835 12.19185 113.8191 11.97365 
-1.035614      17.08828 
1 1 1 -8  20 23 o 166.9498 6.655558 287.1679       22.59550  309.2628       
33.01030  267.6891       30.99459  171.8556 9.482399 159.8047 9.581959 
12.05092       13.48072 
1 1 1 -8  20 24 o 66.73339 16.15193 51.96171       21.68306  51.92242       
26.84838  52.03540       36.76870  65.52267 19.02561 64.99783 22.65503 
0.5248489      29.58418 
1 1 1 -8  21 1  o 139.8430 4.190484 198.9506       11.91671  218.2310       
30.21416  195.3989       12.96795  145.9044 10.24836 138.5812 4.601673 
7.323166       11.23407 
1 1 1 -8  21 2  o 76.45310 5.670981 59.81503       8.753834  54.16461       
23.36077  60.73805       9.441796  71.29223 16.44841 77.00748 6.078772 
-5.715248      17.53573 
1 1 1 -8  21 3  o 450.2032 4.547359 2062.048       41.63124  2001.721       
57.60947  2127.985       60.22876  443.4397 6.388633 457.2038 6.478026 
-13.76410      9.098321 
1 1 1 -8  21 4  o 380.3454 4.175581 1471.615       32.29583  1451.786       
45.19996  1492.297       46.16163  377.6814 5.885197 382.9118 5.928311 
-5.230377      8.353467 
1 1 1 -8  21 5  o 474.0254 4.732658 2286.151       45.62030  2248.098       
63.59238  2326.500       65.48285  469.9156 6.654781 478.0320 6.736264 
-8.116394      9.469074 
1 1 1 -8  21 6  o 160.3616 3.957884 261.5919       12.90669  243.9822       
17.61307  282.0147       18.96775  154.8341 5.593931 166.4649 5.603272 
-11.63081      7.917621 
1 1 1 -8  21 7  o 168.9226 4.070432 290.2836       13.98234  317.2812       
19.64336  262.5557       19.90729  176.5663 5.470872 160.6006 6.095559 
15.96567       8.190621 
1 1 1 -8  21 8  o 100.1485 8.186125 102.8886       16.52573  134.7885       
28.32585  86.42791       20.34752  114.1787 12.39890 91.32911 11.19007 
22.84959       16.70181 
1 1 1 -8  21 9  o 286.2448 4.116711 833.6317       23.96290  815.5654       
33.49384  852.5756       34.29779  283.0359 5.819317 289.3861 5.828236 
-6.350220      8.236066 
1 1 1 -8  21 10 o 390.3265 4.491596 1550.445       35.65170  1559.671       
50.71465  1541.431       50.12867  391.3133 6.373199 389.0223 6.336658 
2.290985       8.987264 
1 1 1 -8  21 11 o 259.5036 4.779568 685.5158       25.22223  698.5226       
42.10078  678.2340       31.50099  261.6872 7.911452 258.0343 6.003373 
3.652924       9.931342 
1 1 1 -8  21 12 o 157.2217 4.875822 251.7000       15.58877  240.1262       
21.61646  264.2413       22.50189  153.4501 6.927332 160.9746 6.874009 
-7.524582      9.759094 
1 1 1 -8  21 13 o 179.4394 4.713295 327.9238       17.19864  364.9909       
25.27428  295.9578       23.47082  189.1627 6.570401 170.3198 6.776597 
18.84288       9.438879 
1 1 1 -8  21 14 o 80.74784 7.822318 67.26482       12.68348  65.03522       
17.82310  69.55240       18.05341  78.72976 11.46948 81.52811 11.18403 
-2.798347      16.01973 
1 1 1 -8  21 15 o 161.3014 5.015595 265.2193       16.45175  283.6640       
23.17448  246.4794       23.35919  166.6338 6.839047 155.2661 7.398261 
11.36766       10.07506 
1 1 1 -8  21 16 o 71.77594 11.05989 54.29738       15.62439  67.35252       
19.19294  28.64654       26.90304  79.84216 12.20905 54.90049 19.36210 
24.94167       22.88999 
1 1 1 -8  21 17 o 192.6097 5.014608 378.4195       19.64114  395.6895       
27.80563  361.2211       27.74798  196.6649 6.952714 187.8513 7.263833 
8.813690       10.05502 
1 1 1 -8  21 18 o 101.2521 7.705876 105.7238       15.74726  133.5991       
22.30472  78.02140       22.23542  113.4486 9.763323 85.60934 13.19647 
27.83925       16.41552 
1 1 1 -8  21 19 o 169.3710 6.519457 293.6611       22.45442  298.8607       
39.14243  291.1107       27.41372  169.3183 11.43524 168.3445 8.007879 
0.9737854      13.96033 
1 1 1 -8  21 20 o 67.21906 12.71530 48.65561       16.74417  50.35149       
25.07410  47.29066       22.49496  67.32753 17.97628 65.40511 16.81875 
1.922417       24.61741 
1 1 1 -8  21 21 o 79.25691 11.40983 66.71944       17.85942  79.27502       
25.03031  53.69843       25.49002  85.35777 14.96585 69.24680 17.95240 
16.11098       23.37232 
1 1 1 -8  21 22 o 98.58994 9.553306 101.9090       18.91274  96.41212       
28.24698  106.3755       25.46253  93.70163 15.35640 99.56416 12.87791 
-5.862526      20.04144 
1 1 1 -8  21 23 o 60.68822 15.25713 41.76746       18.80877  50.15039       
27.12777  34.00700       26.10115  65.41531 19.16175 55.61720 19.10457 
9.798111       27.05840 
1 1 1 -8  21 24 o 41.59364 16.51245 13.87387       20.84325  -6.698930      
26.04487  50.51955       34.76056  36.56435 16.50212 63.69065 22.03738 
-27.12630      27.53118 
1 1 1 -8  22 1  o 503.6542 5.622341 2582.105       57.58390  2550.462       
104.2062  2596.016       69.09106  499.9073 10.25068 504.8866 6.729404 
-4.979248      12.26219 
1 1 1 -8  22 2  o 263.3000 3.754745 705.2255       20.10401  825.6946       
48.54733  680.2903       22.08683  284.6352 8.387362 258.5880 4.200236 
26.04721       9.380289 
1 1 1 -8  22 3  o 88.24272 4.658614 79.44962       8.330006  92.65975       
11.92257  66.85127       11.64322  95.20329 6.192046 80.70189 7.169424 
14.50140       9.473228 
1 1 1 -8  22 4  o 482.1122 4.769025 2365.006       46.75512  2363.321       
66.00484  2366.702       66.23922  481.7669 6.737324 482.1095 6.756443 
-0.3425293     9.541544 
1 1 1 -8  22 5  o 475.2418 4.736654 2298.071       45.77598  2316.488       
64.98376  2279.931       64.49307  476.9704 6.699801 473.1917 6.702311 
3.778778       9.476725 
1 1 1 -8  22 6  o 548.4789 5.228283 3061.503       58.31368  3085.567       
82.90524  3037.941       82.03761  550.3793 7.407445 546.1179 7.387120 
4.261353       10.46135 
1 1 1 -8  22 7  o 413.3361 5.067476 1738.676       42.59381  1749.218       
53.03608  1719.522       71.48643  414.4864 6.292304 410.7113 8.559246 
3.775085       10.62327 
1 1 1 -8  22 8  o 53.29121 13.76032 30.17507       15.01520  66.87932       
27.44678  14.49846       17.93739  79.12346 17.52056 42.48433 15.69698 
36.63913       23.52371 
1 1 1 -8  22 9  f 274.8886 4.069471 768.8478       22.74815  748.2748       
31.89981  790.1349       32.44870  271.0885 5.786629 278.5719 5.728074 
-7.483429      8.142229 
1 1 1 -8  22 10 o 84.81576 7.208066 73.85536       12.31435  62.03798       
17.20747  86.26090       17.63049  77.06644 11.31705 91.40058 9.630525 
-14.33414      14.86010 
1 1 1 -8  22 11 o 103.5968 6.882679 109.9005       14.41708  131.4601       
23.30939  96.54279       18.34753  112.9057 10.26441 96.73916 9.447186 
16.16653       13.95018 
1 1 1 -8  22 12 o 314.8874 4.346808 1009.482       27.83410  1046.619       
39.96877  974.5134       38.78466  320.4201 6.134083 309.1811 6.168729 
11.23898       8.699436 
1 1 1 -8  22 13 o 195.3557 4.558790 388.6966       18.11036  380.0443       
25.44841  397.5748       25.77863  193.0019 6.484069 197.4096 6.421554 
-4.407669      9.125761 
1 1 1 -8  22 14 o 161.0374 4.947448 264.2941       16.20166  262.0315       
23.06033  266.4997       22.76768  160.1512 7.080824 161.5270 6.931422 
-1.375717      9.908718 
1 1 1 -8  22 15 o 252.2636 4.475220 648.4534       22.95728  666.2960       
32.53453  630.7592       32.39889  255.4438 6.263222 248.5132 6.411053 
6.930664       8.962675 
1 1 1 -8  22 16 o 288.8854 5.212721 851.3507       30.62257  882.2388       
37.86920  792.9929       52.05235  293.8476 6.337421 277.8365 9.212968 
16.01108       11.18220 
1 1 1 -8  22 17 o 163.0690 5.425130 271.4576       17.99008  291.8066       
25.25315  250.4889       25.63476  168.7880 7.357371 156.0562 8.105780 
12.73181       10.94690 
1 1 1 -8  22 18 o 35.01747 13.60207 8.352794       13.88084  5.307672       
19.30405  11.61296       19.97404  37.70022 15.55149 41.52036 16.26403 
-3.820141      22.50261 
1 1 1 -8  22 19 o 48.37766 15.71668 24.22211       17.69976  -12.07687      
29.30788  45.06218       22.20684  38.92207 17.54139 63.90814 16.84812 
-24.98607      24.32199 
1 1 1 -8  22 20 o 93.54369 9.550767 91.32796       17.91305  135.4960       
27.47214  58.66045       23.62635  113.3546 12.10516 72.89143 16.34289 
40.46320       20.33777 
1 1 1 -8  22 21 o 27.46719 12.74411 -13.68495      17.02666  -21.10964      
24.95385  -7.216945      23.29074  32.69399 15.25570 35.52029 15.85074 
-2.826302      21.99960 
1 1 1 -8  22 22 o 129.0119 7.576990 172.3749       19.79099  197.2888       
28.34122  148.6633       27.64900  137.0490 10.24336 118.2980 11.64438 
18.75098       15.50864 
1 1 1 -8  22 23 o 56.17719 15.45856 36.00218       18.21486  83.53345       
26.74117  -5.139524      24.87894  85.77000 15.91787 36.73769 16.38898 
49.03231       22.84682 
1 1 1 -8  22 24 o 29.62577 13.44366 -6.953009      17.56361  -6.285167      
25.33336  -7.571121      24.37192  36.00564 16.26024 34.91739 15.84162 
1.088253       22.70137 
1 1 1 -8  23 1  o 203.5937 4.097781 421.7368       16.96541  424.5938       
37.77120  421.0148       18.98866  204.0129 9.104409 203.4019 4.590793 
0.6109467      10.19635 
1 1 1 -8  23 2  o 162.8794 4.113960 269.9169       13.62629  267.9998       
32.68708  270.3201       14.99098  161.7433 9.986844 162.9902 4.522903 
-1.246887      10.96329 
1 1 1 -8  23 3  o 296.4595 4.202741 894.1907       25.33666  897.0555       
32.13680  889.4850       41.18695  296.8766 5.323229 295.5215 6.853606 
1.355103       8.678058 
1 1 1 -8  23 4  o 204.0108 4.996245 423.5604       20.72757  423.5604       
20.72757  0.000000       0.000000  204.0108 4.996245 ?        ?        
0.000000       4.996245 
1 1 1 -8  23 5  o 126.1268 4.111354 161.8457       10.54493  155.8175       
14.21148  169.2303       15.72934  123.7221 5.648593 128.9277 5.999467 
-5.205612      8.240158 
1 1 1 -8  23 6  o 436.6370 5.158614 1940.410       45.80416  1959.131       
57.25286  1907.120       76.34582  438.6190 6.418865 432.4826 8.680909 
6.136475       10.79630 
1 1 1 -8  23 7  o 292.1076 4.435520 868.2509       26.34746  865.6683       
32.94778  872.8316       43.88060  291.6083 5.556162 292.6764 7.372816 
-1.068146      9.231975 
1 1 1 -8  23 8  o 340.2662 4.914717 1178.448       34.00703  1138.231       
60.58471  1196.948       41.09100  334.0120 8.919684 342.8487 5.893765 
-8.836639      10.69099 
1 1 1 -8  23 9  o 129.1730 5.087223 169.8668       13.36300  159.1561       
18.71268  181.0129       19.08922  124.7283 7.410985 133.0786 7.079347 
-8.350296      10.24889 
1 1 1 -8  23 10 o 174.1947 5.337340 309.0169       18.90651  276.5053       
22.31627  391.6967       35.58788  164.7035 6.662963 195.8381 8.936213 
-31.13461      11.14679 
1 1 1 -8  23 11 o 206.8294 4.818289 435.6172       20.26546  427.8313       
33.39181  440.1572       25.49824  204.6978 8.021866 207.8148 6.033679 
-3.117035      10.03771 
1 1 1 -8  23 12 f 117.4857 5.705821 140.6956       13.63184  158.4392       
19.42616  123.4820       19.13383  124.3083 7.723051 109.5499 8.659510 
14.75835       11.60313 
1 1 1 -8  23 13 o 65.87807 9.466597 45.36991       12.31761  49.46151       
17.51641  41.36739       17.32465  68.11572 13.12176 62.03904 14.05771 
6.076679       19.23018 
1 1 1 -8  23 14 o 136.0647 5.370662 188.8031       14.86020  199.3326       
20.92671  178.0930       21.10543  139.4266 7.407384 131.6859 7.918210 
7.740707       10.84285 
1 1 1 -8  23 15 o 140.4171 5.379323 201.1554       15.36028  186.8918       
21.27956  216.6723       22.19478  134.8772 7.791594 145.3049 7.537256 
-10.42772      10.84062 
1 1 1 -8  23 16 o 173.8240 5.841547 308.5774       20.64853  334.4908       
25.85090  262.9050       34.31944  180.7964 7.031283 159.2880 10.65659 
21.50835       12.76722 
1 1 1 -8  23 17 o 155.9835 5.662761 248.5412       17.96215  252.4859       
24.30583  243.7946       26.66198  156.9221 7.616838 153.7987 8.558767 
3.123413       11.45726 
1 1 1 -8  23 18 o 130.5055 6.484565 174.3565       17.20922  189.6516       
23.97141  158.0901       24.72091  135.4617 8.748890 123.3252 9.941825 
12.13649       13.24322 
1 1 1 -8  23 19 o 162.6569 6.734498 271.1672       22.27558  258.0512       
36.28180  279.1023       28.22063  157.1157 11.43424 164.4304 8.468576 
-7.314774      14.22880 
1 1 1 -8  23 20 o 45.12550 15.40103 20.29092       16.95765  38.10931       
25.86526  6.858252       22.45763  59.37301 18.97046 40.63561 16.76933 
18.73740       25.31974 
1 1 1 -8  23 21 o 190.7979 8.498169 376.1784       32.97239  376.1784       
32.97239  0.000000       0.000000  190.7979 8.498169 ?        ?        
0.000000       8.498169 
1 1 1 -8  23 22 o 78.11864 12.37900 66.15909       19.00925  77.90357       
27.52938  55.45612       26.28036  82.93490 16.89693 69.27817 18.35933 
13.65673       24.95137 
1 1 1 -8  23 23 o 32.43798 14.20325 -1.353181      17.86635  19.33154       
25.90360  -20.12204      24.67484  47.12137 18.50250 31.97957 15.00219 
15.14181       23.82034 
1 1 1 -8  23 24 o 54.81137 17.36211 36.18188       21.70134  51.39918       
27.36092  10.37243       35.63291  63.80626 19.38002 46.59445 20.23564 
17.21181       28.01903 
1 1 1 -8  24 1  o 378.9173 4.745774 1461.352       36.56815  1419.625       
68.98592  1477.659       43.12552  372.9587 9.095955 380.9523 5.566885 
-7.993591      10.66427 
1 1 1 -8  24 2  o 474.8548 5.384636 2295.519       51.99585  2061.904       
89.01267  2416.521       64.06167  449.4121 9.739926 487.0760 6.467703 
-37.66388      11.69176 
1 1 1 -8  24 3  o 143.0659 5.182475 208.3399       15.07734  224.8936       
30.61335  203.0387       17.32415  148.0562 10.23069 141.2064 6.033180 
6.849884       11.87713 
1 1 1 -8  24 4  o 225.5927 3.921593 517.7756       17.99032  546.8160       
23.42609  476.0264       28.08808  231.7891 4.969988 216.1954 6.388871 
15.59366       8.094347 
1 1 1 -8  24 5  o 227.5504 4.050045 526.8271       18.74083  535.4406       
24.00208  513.3747       29.99586  229.3558 5.146214 224.5035 6.570324 
4.852280       8.345819 
1 1 1 -8  24 6  o 157.0961 4.284461 251.1250       13.68715  263.4715       
17.59426  232.2002       21.78276  160.8756 5.378107 150.9585 7.095840 
9.917038       8.903649 
1 1 1 -8  24 7  o 194.1623 4.338856 383.6357       17.13135  388.5025       
21.65534  375.4958       28.00621  195.3421 5.451520 191.9504 7.174865 
3.391663       9.010980 
1 1 1 -8  24 8  o 371.8356 6.171508 1408.433       46.66526  1408.433       
46.66526  0.000000       0.000000  371.8356 6.171508 ?        ?        
0.000000       6.171508 
1 1 1 -8  24 9  o 403.4529 4.503939 1656.899       36.95190  1680.384       
52.92160  1634.557       51.61852  406.0681 6.408887 400.5027 6.337948 
5.565430       9.013513 
1 1 1 -8  24 10 o 360.2831 6.106266 1322.930       44.73742  1262.025       
59.40825  1402.711       67.99388  351.5382 8.310418 370.4694 9.025392 
-18.93121      12.26869 
1 1 1 -8  24 11 o 114.5193 5.631237 133.6587       13.11397  125.8661       
18.49022  141.5460       18.60218  110.6763 8.275423 117.4639 7.832589 
-6.787621      11.39439 
1 1 1 -8  24 12 o 388.4233 4.564365 1536.768       36.05264  1547.188       
51.11519  1526.452       50.85805  389.3904 6.455254 386.7699 6.466297 
2.620514       9.136919 
1 1 1 -8  24 13 o 85.14935 7.411648 74.67284       12.70557  85.27543       
18.06972  64.30476       17.86876  90.60400 9.972472 78.19608 11.58793 
12.40792       15.28824 
1 1 1 -8  24 14 o 139.4210 5.390794 198.2885       15.28384  201.7664       
21.65850  194.8388       21.57098  140.2063 7.625100 137.7529 7.731738 
2.453400       10.85919 
1 1 1 -8  24 15 o 147.3967 5.304433 221.6815       15.89931  236.8237       
22.17932  205.6747       22.80371  152.1263 7.169559 141.4453 7.960402 
10.68098       10.71310 
1 1 1 -8  24 16 o 62.31892 12.62014 41.74110       15.44481  50.78165       
18.78344  22.86961       27.13819  68.58359 13.94308 51.67371 19.26470 
16.90988       23.78104 
1 1 1 -8  24 17 o 30.93291 13.39238 -1.459908      15.51117  4.518794       
18.76290  -14.36663      27.56795  36.85815 15.27864 36.97813 16.80416 
-0.1199799     22.71159 
1 1 1 -8  24 18 o 187.6733 5.359055 359.8929       20.45230  344.6907       
27.86126  377.6579       30.11825  183.2396 7.477045 191.7407 7.724388 
-8.501114      10.75046 
1 1 1 -8  24 19 o 203.0701 6.222438 422.3087       25.69555  436.9850       
42.93786  414.1203       32.07249  205.0406 10.33109 200.6649 7.859772 
4.375717       12.98104 
1 1 1 -8  24 20 o 116.4389 9.462846 141.2426       22.21253  122.6786       
41.48870  148.7019       26.29926  104.1128 20.32568 119.0068 10.99146 
-14.89397      23.10726 
1 1 1 -8  24 21 o 63.16820 14.78709 44.31628       18.65919  43.79962       
25.75409  44.88713       27.07132  62.35154 18.77204 63.08450 19.30166 
-0.7329636     26.92478 
1 1 1 -8  24 22 o 52.84817 17.18310 30.84536       21.15512  35.16642       
25.09958  20.24604       39.31067  56.21790 18.73800 53.86633 22.20293 
2.351578       29.05310 
1 1 1 -8  24 23 o 109.0363 10.66669 127.9252       23.34824  122.3483       
28.05787  140.4823       42.10249  104.9584 13.45559 107.5214 19.99162 
-2.563019      24.09809 
1 1 1 -8  24 24 o 60.50584 15.01252 43.53659       18.38331  14.39290       
25.89901  73.12979       26.09798  43.47953 17.98094 77.44340 17.03483 
-33.96387      24.76893 
1 1 1 -8  25 1  o 43.88794 8.302917 20.30070       7.138736  24.38701       
26.01509  19.96795       7.423706  52.75066 18.99297 43.46431 8.702715 
9.286346       20.89187 
1 1 1 -8  25 2  o 329.4620 4.692085 1104.841       31.43567  1150.211       
60.30676  1087.914       36.83596  335.6993 8.834136 326.8590 5.541917 
8.840302       10.42856 
1 1 1 -8  25 3  o 460.2591 5.251240 2156.692       49.14911  2166.354       
91.75733  2152.804       58.20286  460.5507 9.797425 459.7235 6.225815 
0.8271790      11.60820 
1 1 1 -8  25 4  o 269.2314 4.084374 737.5778       22.36159  725.8742       
28.27858  757.1091       36.53106  267.0224 5.207850 272.6043 6.589889 
-5.581909      8.399306 
1 1 1 -8  25 5  o 380.4336 4.738905 1473.110       36.66133  1542.285       
47.22967  1368.242       58.15167  389.1436 5.968340 366.3129 7.806539 
22.83069       9.826653 
1 1 1 -8  25 6  o 651.2375 6.805453 4321.908       90.12553  4264.415       
109.9526  4439.628       157.3347  646.5216 8.363171 658.5863 11.74790 
-12.06470      14.42067 
1 1 1 -8  25 7  o 196.2082 3.889261 391.7379       15.51799  381.3359       
21.69968  402.6256       22.20040  193.5091 5.514426 198.8389 5.490452 
-5.329758      7.781642 
1 1 1 -8  25 8  o 242.6087 3.940886 598.9874       19.44248  566.3486       
26.89798  634.6982       28.13539  235.7996 5.609513 249.6284 5.542522 
-13.82880      7.885822 
1 1 1 -8  25 9  o 183.6909 4.260341 343.4776       15.91415  314.4111       
22.28274  373.7389       22.73613  175.6309 6.239019 191.5150 5.837974 
-15.88416      8.544431 
1 1 1 -8  25 10 o 197.8459 5.857741 398.9842       23.56724  377.5819       
30.45184  430.9475       37.21425  192.2831 7.787910 205.2829 8.914667 
-12.99976      11.83735 
1 1 1 -8  25 11 o 150.6460 4.834206 231.1971       14.80929  233.2770       
20.78244  229.0515       21.10835  151.1816 6.759989 149.7917 6.929714 
1.389969       9.680825 
1 1 1 -8  25 12 o 318.0497 4.357285 1030.382       28.18139  1020.051       
39.57365  1041.013       40.14144  316.1664 6.155155 319.3938 6.180378 
-3.227417      8.722557 
1 1 1 -8  25 13 o 104.3518 6.472866 111.6452       13.66785  108.8825       
19.06075  114.5692       19.60944  102.6045 9.234205 105.2671 9.254553 
-2.662613      13.07353 
1 1 1 -8  25 14 o 111.5854 6.119750 127.5573       13.83350  122.2258       
19.53982  132.9147       19.58730  108.7599 8.913174 113.5152 8.548079 
-4.755287      12.34967 
1 1 1 -8  25 15 o 84.89509 7.874858 74.50973       13.44016  50.02692       
18.51274  101.7951       19.54362  68.10954 13.83829 98.94395 9.843935 
-30.83441      16.98238 
1 1 1 -8  25 16 o 108.3454 7.964126 121.1170       17.42390  141.6191       
21.77151  84.59079       29.05969  116.9261 9.231509 88.05152 16.84315 
28.87455       19.20709 
1 1 1 -8  25 17 o 163.7973 6.298756 274.5982       20.98037  302.3511       
25.52174  216.7521       36.84626  171.6798 7.310374 143.5531 12.75491 
28.12675       14.70134 
1 1 1 -8  25 18 o 49.76822 15.50431 26.31117       17.37812  14.90646       
20.60462  54.41546       32.34512  43.60122 16.66738 69.72285 21.04782 
-26.12164      26.84794 
1 1 1 -8  25 19 o 200.4751 7.668213 413.3452       31.26124  397.5151       
41.81522  433.4039       47.06994  195.3369 10.56614 203.5836 11.41576 
-8.246643      15.55516 
1 1 1 -8  25 20 o 56.91479 19.67015 33.72108       27.68994  101.2176       
40.13364  -27.59797      38.25301  93.52985 21.54508 40.86506 19.00811 
52.66480       28.73149 
1 1 1 -8  25 21 o 77.39292 12.32945 64.74643       18.75318  55.76009       
27.36207  72.70694       25.75301  69.56090 18.86634 80.52126 16.28724 
-10.96037      24.92415 
1 1 1 -8  25 22 o 85.92417 11.26284 79.55538       19.20562  76.71504       
27.90342  82.11227       26.47457  81.40110 17.38515 85.10158 15.88235 
-3.700478      23.54766 
1 1 1 -8  25 23 o 49.11861 15.97271 27.59730       18.27950  41.37144       
26.88673  15.75829       24.92663  58.40300 19.39016 44.34128 17.90177 
14.06172       26.39037 
1 1 1 -8  25 24 f 27.10494 12.62817 -11.69439      16.99349  22.72810       
24.83476  -42.00197      23.30314  46.59612 18.16766 25.59906 12.61030 
20.99705       22.11523 
1 1 1 -8  26 1  o 165.7972 3.631704 279.7200       12.24444  281.5045       
34.05569  279.4550       13.12192  165.5671 10.16412 165.7087 3.894041 
-0.1416626     10.88453 
1 1 1 -8  26 2  o 257.1915 3.629116 673.0671       18.98055  597.0135       
44.28971  690.1775       21.00743  241.7610 9.008764 260.4212 3.966845 
-18.66025      9.843460 
1 1 1 -8  26 3  o 232.4819 4.345248 550.1037       20.54258  602.5200       
42.88190  534.4921       23.40268  242.9341 8.680287 229.1198 5.022865 
13.81427       10.02879 
1 1 1 -8  26 4  o 64.79726 5.122089 43.01696       6.694223  35.30836       
8.879045  53.16962       10.18987  58.34016 7.670144 71.87456 7.062977 
-13.53440      10.42673 
1 1 1 -8  26 5  o 155.3925 3.774302 245.7064       11.92664  249.5257       
16.37425  241.3903       17.40670  156.5439 5.143678 153.9522 5.560053 
2.591644       7.574405 
1 1 1 -8  26 6  o 140.0414 4.092220 199.5922       11.65378  186.0573       
15.76274  215.9094       17.30719  135.1484 5.735474 145.5820 5.846116 
-10.43359      8.189795 
1 1 1 -8  26 7  o 300.6559 3.965332 919.9658       24.24380  882.2855       
33.36415  962.1181       35.28855  294.2986 5.574944 307.3175 5.646705 
-13.01889      7.935067 
1 1 1 -8  26 8  o 137.0145 4.606035 191.1433       12.83350  200.1568       
17.73477  181.2350       18.59435  140.1273 6.223740 133.1245 6.892268 
7.002808       9.286458 
1 1 1 -8  26 9  o 287.3070 4.636016 840.6118       27.08586  832.7430       
44.31590  845.3042       34.22194  285.5767 7.631070 287.9749 5.843844 
-2.398193      9.611647 
1 1 1 -8  26 10 o 151.7090 6.401007 234.8083       19.74746  263.2625       
25.77839  194.3950       30.72173  160.4967 7.898381 137.1364 11.11199 
23.36040       13.63307 
1 1 1 -8  26 11 o 124.3063 5.398996 157.5401       13.64764  172.1932       
18.84679  141.3852       19.78901  129.6278 7.177684 117.2474 8.354471 
12.38032       11.01437 
1 1 1 -8  26 12 o 92.55442 6.720203 87.97112       12.56201  101.5297       
17.36291  73.07835       18.19715  99.15918 8.698586 83.55793 10.97483 
15.60125       14.00401 
1 1 1 -8  26 13 o 263.9267 4.354042 709.8533       23.36831  716.9468       
32.98505  702.7055       33.11088  264.9503 6.122111 262.2892 6.207817 
2.661133       8.718787 
1 1 1 -8  26 14 o 37.65178 12.91420 13.56025       11.92455  25.85316       
15.94160  -2.055227      17.96727  49.37296 14.74761 33.13591 14.37992 
16.23705       20.59792 
1 1 1 -8  26 15 o 77.71358 10.00029 63.27525       15.43710  56.89786       
18.26456  79.22399       28.88357  72.95245 12.77732 85.05479 17.28863 
-12.10235      21.49783 
1 1 1 -8  26 16 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -8  26 17 o 221.5748 5.653463 502.0353       25.47337  502.0861       
31.02467  501.9303       44.62513  221.2802 6.894664 220.2391 9.963997 
1.041107       12.11683 
1 1 1 -8  26 18 o 144.6925 6.153451 214.4343       18.10573  210.3795       
25.56969  218.5117       25.64120  142.4971 8.868012 145.2795 8.719602 
-2.782379      12.43676 
1 1 1 -8  26 19 o 189.5624 5.611771 367.7516       21.63234  381.0508       
30.65960  354.5678       30.52633  192.3668 7.837636 185.4843 8.093119 
6.882416       11.26619 
1 1 1 -8  26 20 o 55.00460 16.78305 33.25218       20.48532  7.709791       
37.94790  43.75677       24.33585  50.00051 21.28400 62.36883 18.11458 
-12.36832      27.94900 
1 1 1 -8  26 21 o 103.4050 9.151726 112.2175       19.04527  109.7829       
27.71937  114.3945       26.21196  100.2561 13.97642 102.9276 12.79965 
-2.671455      18.95182 
1 1 1 -8  26 22 o 107.0245 9.023502 120.9502       19.45538  130.1655       
27.85939  112.1780       27.18127  109.0894 12.80186 100.7243 13.61967 
8.365105       18.69180 
1 1 1 -8  26 23 o 129.1023 8.112974 176.0645       21.19100  240.0900       
31.63721  123.9652       28.53891  149.0084 10.50819 104.6236 13.74669 
44.38479       17.30299 
1 1 1 -8  27 1  o 309.6970 3.823923 976.2104       24.08228  1005.974       
55.80389  969.3987       26.69615  313.6990 8.747823 308.5768 4.254357 
5.122162       9.727485 
1 1 1 -8  27 2  o 108.6010 9.344702 121.4866       20.43621  92.60440       
28.02391  154.2913       29.86633  93.56569 15.25422 121.9965 12.20245 
-28.43085      19.53436 
1 1 1 -8  27 3  o 185.6345 6.543307 351.3325       24.70059  320.4721       
33.39942  388.5870       36.69678  176.8056 9.322430 194.9642 9.255962 
-18.15862      13.13699 
1 1 1 -8  27 4  o 411.4354 6.639168 1725.919       55.54779  1586.418       
74.61248  1899.382       83.20016  393.9336 9.314018 430.9976 9.492877 
-37.06406      13.29908 
1 1 1 -8  27 5  o 72.75428 5.107794 54.17237       7.509000  41.68121       
9.766161  72.23505       11.74394  63.44249 7.729726 83.87421 6.948039 
-20.43172      10.39346 
1 1 1 -8  27 6  o 394.2356 4.301570 1582.197       34.48532  1557.021       
48.11923  1608.781       49.44710  390.8540 6.054143 397.2870 6.120475 
-6.432953      8.608883 
1 1 1 -8  27 7  o 175.1585 3.956035 312.2896       14.09103  284.3191       
19.15963  345.2430       20.79630  167.0364 5.640589 184.0708 5.555840 
-17.03438      7.917298 
1 1 1 -8  27 8  o 82.70610 6.320758 70.16460       10.55012  74.60303       
14.65057  65.38381       15.20512  84.99361 8.594619 79.34431 9.620420 
5.649307       12.90039 
1 1 1 -8  27 9  o 71.72978 7.962833 53.22964       11.41897  40.48158       
17.02825  63.64684       15.39301  61.40929 13.95303 78.19014 9.902964 
-16.78085      17.11011 
1 1 1 -8  27 10 o 143.7815 5.598738 210.8155       16.36985  203.1994       
19.09358  231.9442       31.80236  141.0751 6.655577 149.9072 10.49870 
-8.832138      12.43058 
1 1 1 -8  27 11 o 148.3554 5.417653 224.4728       16.34428  228.7027       
20.09110  216.1959       28.10454  149.6351 6.602657 144.8112 9.598243 
4.823898       11.64995 
1 1 1 -8  27 12 o 251.6703 4.896060 645.8116       25.05706  674.4261       
31.19711  593.7975       42.06117  257.0101 5.969153 240.6209 8.596004 
16.38924       10.46528 
1 1 1 -8  27 13 o 160.9601 5.641360 264.5190       18.46518  232.0072       
21.87953  344.9927       34.42262  150.5561 7.146416 182.9489 9.282989 
-32.39282      11.71517 
1 1 1 -8  27 14 o 65.76642 9.766524 45.50373       12.66487  57.39061       
17.78892  33.28533       18.03528  73.39451 12.35791 55.43787 15.43093 
17.95664       19.76946 
1 1 1 -8  27 15 o 142.1296 5.533760 206.3814       15.99397  199.0903       
22.36974  214.0067       22.87654  139.0244 7.945562 144.1798 7.831895 
-5.155457      11.15664 
1 1 1 -8  27 16 o 189.8701 5.779353 368.6754       22.31450  362.7534       
27.35616  380.4507       38.57497  188.0509 7.153661 191.5581 9.936831 
-3.507233      12.24400 
1 1 1 -8  27 17 o 41.70055 15.16655 15.62209       16.64734  20.37187       
20.38066  6.099869       28.85696  46.68644 16.81070 44.64053 18.75863 
2.045914       25.18900 
1 1 1 -8  27 18 o 204.9695 5.245291 429.5856       21.86302  445.3496       
31.38995  414.7335       30.46860  208.1121 7.417232 200.8180 7.461022 
7.294128       10.52056 
1 1 1 -8  27 19 o 105.9007 8.000946 116.2783       17.10310  132.1996       
24.22378  100.4522       24.15125  112.1201 10.75649 97.00058 12.53712 
15.11954       16.51913 
1 1 1 -8  27 20 o 93.62593 11.99025 93.77112       22.30396  101.3395       
41.21576  90.63692       26.52311  92.48390 22.19740 90.86055 14.86929 
1.623352       26.71742 
1 1 1 -8  27 21 o 96.89090 10.85268 100.2213       21.01587  133.9975       
33.85650  79.04920       26.80522  109.6550 15.62510 83.42388 16.38539 
26.23112       22.64121 
1 1 1 -8  27 22 o 71.73195 14.26905 58.55198       20.08171  71.62787       
32.81400  50.72228       25.39196  75.61347 20.72438 64.79221 18.40725 
10.82126       27.71871 
1 1 1 -8  27 23 o 47.58054 16.53289 26.09078       19.57425  11.56403       
24.38501  52.41011       32.82283  41.48182 17.32489 62.80400 21.42673 
-21.32218      27.55461 
1 1 1 -8  28 1  o 138.5660 3.543408 195.4256       9.984567  207.3025       
30.88187  194.0391       10.55126  141.7126 10.79753 138.0647 3.758116 
3.647873       11.43285 
1 1 1 -8  28 2  o 107.9660 9.207408 120.1434       20.02189  105.1807       
27.64059  136.6616       29.04181  100.0396 13.96802 114.5547 12.67956 
-14.51514      18.86470 
1 1 1 -8  28 3  o 134.6846 7.968891 185.9476       21.72855  123.9206       
29.24939  262.3301       32.45812  108.8680 13.50165 159.7210 10.04448 
-50.85297      16.82814 
1 1 1 -8  28 4  f 261.2693 6.139940 695.9716       32.62150  625.4158       
44.68491  776.4825       47.73336  247.3010 8.885535 275.6186 8.516519 
-28.31760      12.30788 
1 1 1 -8  28 5  o 74.78178 4.844519 57.19693       7.327509  61.17734       
9.649108  51.77439       11.26223  77.21234 6.197612 70.75212 7.966285 
6.460220       10.09317 
1 1 1 -8  28 6  o 497.6357 4.909570 2522.569       49.68283  2515.964       
70.00510  2529.272       70.52203  496.5304 6.933178 497.8332 6.966097 
-1.302734      9.828300 
1 1 1 -8  28 7  o 85.91442 5.959537 75.62485       10.34753  76.22057       
12.97926  74.58585       17.14108  86.06477 7.490759 84.70490 10.15362 
1.359879       12.61775 
1 1 1 -8  28 8  o 130.2471 5.712465 172.9803       15.13015  150.7316       
19.94809  203.1166       23.21640  121.1360 8.145317 140.6989 8.149227 
-19.56284      11.52198 
1 1 1 -8  28 9  o 211.7228 5.281713 457.0004       22.74018  431.1861       
30.77015  488.0672       33.75575  205.3974 7.366875 218.4897 7.597409 
-13.09229      10.58260 
1 1 1 -8  28 10 o 94.12773 7.197168 91.09988       13.67183  116.2100       
16.51010  36.30985       24.38801  106.3040 7.689348 58.79511 18.37533 
47.50886       19.91931 
1 1 1 -8  28 11 o 207.5943 4.274468 439.1182       18.04467  418.8329       
24.97553  461.2704       26.09960  202.5236 6.064399 212.5401 6.038672 
-10.01653      8.558183 
1 1 1 -8  28 12 o 139.8358 7.431525 200.7948       21.05648  0.000000       
0.000000  200.7948       21.05648  ?        ?        139.8358 7.431525 
0.000000       7.431525 
1 1 1 -8  28 13 o 241.4481 4.358270 594.3466       21.39880  599.6899       
30.28205  589.0170       30.24292  242.2084 6.148153 240.0334 6.195847 
2.175003       8.728591 
1 1 1 -8  28 14 o 36.09914 12.94751 11.66366       12.07859  -3.004977      
16.64792  27.96736       17.55125  31.36011 13.72137 51.22541 15.51358 
-19.86530      20.71104 
1 1 1 -8  28 15 o 68.89378 9.689760 49.93825       13.19995  43.75805       
18.50212  56.34452       18.83750  63.25726 14.66846 72.31495 13.29993 
-9.057693      19.80030 
1 1 1 -8  28 16 o 100.2796 8.349169 104.2681       16.87105  120.4264       
20.92582  74.25879       28.51761  107.4780 9.678205 81.69854 17.67850 
25.77943       20.15433 
1 1 1 -8  28 17 o 116.7825 6.923587 140.5029       16.36887  122.7665       
23.29454  157.8031       23.00632  108.1222 10.73666 123.1772 9.252302 
-15.05498      14.17325 
1 1 1 -8  28 18 o 131.3146 7.683619 178.1600       20.42835  122.2368       
31.85027  217.2437       26.62655  106.1063 15.19501 144.6037 9.101343 
-38.49748      17.71222 
1 1 1 -8  28 19 o 162.7048 6.820267 272.1699       22.56593  341.5376       
39.02610  237.3278       27.65852  180.5353 10.67768 151.0490 9.046134 
29.48628       13.99448 
1 1 1 -8  28 20 o 92.93875 11.76150 92.56397       21.73103  123.5774       
41.80652  81.08208       25.43760  102.7515 20.72318 85.46963 15.19233 
17.28185       25.69547 
1 1 1 -8  28 21 o 71.71323 13.15218 57.02759       18.47317  99.22089       
26.81248  18.90033       25.48784  94.41663 14.42244 46.96970 18.37952 
47.44693       23.36265 
1 1 1 -8  28 22 o 37.58786 15.06517 10.36886       17.51385  -5.264725      
25.81163  23.70765       23.84208  36.64069 16.49232 47.82125 18.01188 
-11.18057      24.42180 
1 1 1 -8  28 23 o 73.59916 13.87910 63.34086       20.01057  60.96837       
25.09664  67.48178       33.15593  69.38879 17.72256 69.94745 21.35362 
-0.5586624     27.75007 
1 1 1 -8  29 1  o 59.21516 20.24879 34.53742       29.31383  0.000000       
0.000000  34.53742       29.31383  ?        ?        59.21516 20.24879 
0.000000       20.24879 
1 1 1 -8  29 2  o 108.7792 13.30366 123.9444       28.81521  123.9444       
28.81521  0.000000       0.000000  108.7792 13.30366 ?        ?        
0.000000       13.30366 
1 1 1 -8  29 3  o 221.7269 8.710247 503.1479       39.27357  503.1479       
39.27357  0.000000       0.000000  221.7269 8.710247 ?        ?        
0.000000       8.710247 
1 1 1 -8  29 4  o 103.3218 13.26375 111.8851       27.22477  111.8851       
27.22477  0.000000       0.000000  103.3218 13.26375 ?        ?        
0.000000       13.26375 
1 1 1 -8  29 5  o 73.02163 4.698256 54.54234       6.939498  50.33038       
8.879066  61.15335       11.12396  69.95523 6.309500 77.05246 7.182157 
-7.097229      9.559978 
1 1 1 -8  29 6  o 33.55677 9.883204 11.73034       7.199335  14.45563       
9.383110  7.829659       11.22563  37.38990 11.34747 32.55074 12.33585 
4.839165       16.76122 
1 1 1 -8  29 7  o 195.1436 4.240393 387.8477       16.82720  405.2934       
26.56869  376.1625       21.74427  199.2511 6.557193 192.0645 5.567322 
7.186615       8.601851 
1 1 1 -8  29 8  o 256.3817 4.414766 669.6447       23.01686  663.6619       
37.08880  673.3920       29.35312  254.8290 7.157190 256.9427 5.617804 
-2.113724      9.098632 
1 1 1 -8  29 9  o 179.4910 4.245664 328.2141       15.49672  306.0685       
21.78716  350.8900       22.04648  173.1395 6.188037 185.4253 5.846807 
-12.28577      8.513340 
1 1 1 -8  29 10 o 183.8668 5.080384 344.7939       18.99552  357.3516       
22.77877  316.1230       34.41872  187.0737 5.987782 175.0879 9.704864 
11.98584       11.40342 
1 1 1 -8  29 11 o 182.6217 4.380658 339.9472       16.26834  363.8315       
23.21394  316.8963       22.80531  188.7148 6.049110 176.0769 6.369160 
12.63791       8.783958 
1 1 1 -8  29 12 o 83.14365 7.257746 71.34182       12.14805  81.82557       
16.90466  60.14625       17.46912  88.64639 9.527153 75.32090 11.79212 
13.32549       15.15984 
1 1 1 -8  29 13 o 205.5447 4.452888 430.8860       18.61228  412.6344       
25.79959  450.6938       26.87692  200.8340 6.317194 209.8958 6.296863 
-9.061859      8.919497 
1 1 1 -8  29 14 f 175.5032 4.869310 314.4258       17.37816  291.3995       
24.20764  338.9108       24.96261  168.5862 7.061209 181.8764 6.749356 
-13.29016      9.768034 
1 1 1 -8  29 15 o 56.41977 12.94996 34.62790       14.54318  40.77053       
23.40423  30.76418       18.56181  60.85308 17.79041 53.32266 15.91037 
7.530422       23.86710 
1 1 1 -8  29 16 o 109.7732 12.30081 127.6862       26.98668  127.6862       
26.98668  0.000000       0.000000  109.7732 12.30081 ?        ?        
0.000000       12.30081 
1 1 1 -8  29 17 o 58.42777 12.77485 37.24123       14.75528  41.43940       
21.06135  33.19442       20.67817  60.99436 16.55611 55.13110 16.86944 
5.863258       23.63647 
1 1 1 -8  29 18 o 139.4088 7.273871 200.5543       20.54940  210.2017       
33.56358  194.7695       25.99013  141.0742 11.80815 136.7049 9.406418 
4.369370       15.09679 
1 1 1 -8  29 19 o 58.62548 13.88602 38.06953       16.29961  25.11930       
22.44413  52.52203       23.71021  49.95212 17.67761 68.03623 17.14426 
-18.08411      24.62567 
1 1 1 -8  29 20 o 64.46724 16.35860 47.51891       21.48068  1.329856       
38.27893  68.74958       25.95207  47.30445 20.74925 77.49566 16.94072 
-30.19121      26.78655 
1 1 1 -8  29 21 o 56.89414 15.04319 37.25799       17.67000  29.23960       
25.13917  45.08780       24.84178  51.90883 18.67253 61.51765 18.41755 
-9.608814      26.22727 
1 1 1 -8  29 22 o 83.51911 11.13559 76.85519       18.44137  75.68466       
26.65022  77.93065       25.54494  79.00108 17.08597 80.93427 16.08773 
-1.933197      23.46797 
1 1 1 -8  29 23 o 35.17972 15.20836 4.231123       19.94320  14.02543       
25.23563  -12.06084      32.54723  42.09364 17.60620 37.54730 17.48767 
4.546333       24.81526 
1 1 1 -8  30 1  o 95.94990 14.49875 97.74664       27.40734  0.000000       
0.000000  97.74664       27.40734  ?        ?        95.94990 14.49875 
0.000000       14.49875 
1 1 1 -8  30 2  o 116.6179 12.31401 141.9372       28.76062  0.000000       
0.000000  141.9372       28.76062  ?        ?        116.6179 12.31401 
0.000000       12.31401 
1 1 1 -8  30 3  o 288.1636 8.699088 850.7301       50.97582  0.000000       
0.000000  850.7301       50.97582  ?        ?        288.1636 8.699088 
0.000000       8.699088 
1 1 1 -8  30 4  o 60.49277 14.44146 39.46029       17.51917  77.18230       
25.64654  6.458846       23.98821  84.89967 15.42304 42.11932 17.35061 
42.78035       23.21452 
1 1 1 -8  30 5  o 176.3785 4.605631 316.9812       16.51909  261.5518       
34.83334  333.0640       18.76317  159.0997 10.83096 180.7539 5.104663 
-21.65425      11.97361 
1 1 1 -8  30 6  o 236.8559 6.336578 572.7672       30.52041  572.7672       
30.52041  0.000000       0.000000  236.8559 6.336578 ?        ?        
0.000000       6.336578 
1 1 1 -8  30 7  o 137.5773 4.598176 192.8873       12.86423  210.0518       
19.46359  179.5730       17.14225  143.3878 6.675123 132.6069 6.356971 
10.78090       9.217828 
1 1 1 -8  30 8  o 170.3560 4.518985 295.7668       15.65488  293.9317       
24.62034  297.0123       20.28329  169.5311 7.141563 170.5803 5.847336 
-1.049225      9.230020 
1 1 1 -8  30 9  o 144.0526 5.580633 211.7992       16.34767  198.8009       
30.98188  216.8144       19.24478  138.3586 11.10517 145.6493 6.497601 
-7.290741      12.86638 
1 1 1 -8  30 10 o 167.2207 5.220835 285.3487       17.75340  297.4370       
21.20390  257.0048       32.46847  170.6118 6.111606 157.5856 10.18648 
13.02614       11.87923 
1 1 1 -8  30 11 o 162.7635 4.638058 270.1993       15.35128  250.1510       
21.60280  290.6505       21.81880  156.3312 6.795368 168.5803 6.364622 
-12.24911      9.310502 
1 1 1 -8  30 12 o 265.2530 4.801662 717.9641       25.90021  723.7618       
42.80190  714.6148       32.53242  265.5013 7.927658 264.3548 6.051705 
1.146545       9.973510 
1 1 1 -8  30 13 o 195.1946 5.020306 389.0410       19.92735  414.3835       
32.93309  374.4030       25.02932  200.7825 8.065943 191.2274 6.436464 
9.555069       10.31928 
1 1 1 -8  30 14 o 125.0673 8.479963 161.8423       21.43952  161.8423       
21.43952  0.000000       0.000000  125.0673 8.479963 ?        ?        
0.000000       8.479963 
1 1 1 -8  30 15 o 74.67251 8.874655 58.35772       13.21220  79.21024       
18.49599  36.63109       18.87968  86.65762 10.72493 57.64353 15.68712 
29.01409       19.00289 
1 1 1 -8  30 16 o 84.02935 13.00061 75.96734       21.49770  75.96734       
21.49770  0.000000       0.000000  84.02935 13.00061 ?        ?        
0.000000       13.00061 
1 1 1 -8  30 17 o 119.4064 7.054834 147.1407       17.05428  160.5848       
23.91824  133.2370       24.32366  124.0173 9.557772 112.4945 10.76418 
11.52273       14.39509 
1 1 1 -8  30 18 o 30.01930 13.38905 -5.350824      16.59525  -10.09730      
25.79866  -2.000502      21.67478  36.38404 16.42205 35.93864 15.69236 
0.4454002      22.71417 
1 1 1 -8  30 19 o 53.85275 14.38554 32.33569       16.05248  35.41612       
22.80914  29.31265       22.59564  56.34124 17.79474 52.37902 17.77833 
3.962215       25.15396 
1 1 1 -8  30 20 o 56.47363 16.62904 36.56236       20.38327  33.58209       
39.73727  37.62653       23.74516  58.39414 22.92048 57.25202 18.16407 
1.142117       29.24520 
1 1 1 -8  30 21 o 78.68310 11.71102 68.13366       18.16700  75.27151       
26.23745  61.55995       25.17925  79.89217 16.68798 71.62466 17.44840 
8.267517       24.14406 
1 1 1 -8  30 22 o 54.10823 15.34322 35.32436       17.65921  37.72296       
26.05345  33.28587       24.01829  54.86392 19.07329 52.23871 18.30456 
2.625210       26.43572 
1 1 1 -8  31 1  o 125.3894 8.191458 161.8755       20.77209  131.1138       
28.61263  196.1549       30.20430  111.7240 12.82641 137.4647 10.89425 
-25.74068      16.82859 
1 1 1 -8  31 2  o 91.20620 14.05682 88.43581       25.23372  0.000000       
0.000000  88.43581       25.23372  ?        ?        91.20620 14.05682 
0.000000       14.05682 
1 1 1 -8  31 3  o 143.4652 10.56847 213.0844       30.61550  0.000000       
0.000000  213.0844       30.61550  ?        ?        143.4652 10.56847 
0.000000       10.56847 
1 1 1 -8  31 4  o 104.4526 12.72851 114.5577       26.47726  0.000000       
0.000000  114.5577       26.47726  ?        ?        104.4526 12.72851 
0.000000       12.72851 
1 1 1 -8  31 5  o 211.7652 8.935924 460.1584       38.48092  0.000000       
0.000000  460.1584       38.48092  ?        ?        211.7652 8.935924 
0.000000       8.935924 
1 1 1 -8  31 6  o 204.4093 4.030771 425.6526       16.75484  428.9619       
25.23438  423.0434       22.40670  204.9560 6.054530 203.6255 5.411208 
1.330521       8.120253 
1 1 1 -8  31 7  o 93.19699 5.525611 88.95251       10.42538  95.70450       
15.32990  83.14283       14.22001  96.33478 7.894715 89.75006 7.870858 
6.584717       11.14796 
1 1 1 -8  31 8  o 168.5836 4.504205 289.7314       15.44134  277.3434       
23.91201  298.5921       20.22327  164.6127 7.143341 170.9921 5.815991 
-6.379456      9.211573 
1 1 1 -8  31 9  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -8  31 10 o 56.65327 11.29265 34.37313       12.55326  17.68027       
14.81945  76.77949       23.62012  42.44046 14.39779 84.58062 14.23862 
-42.14016      20.24931 
1 1 1 -8  31 11 o 110.7718 5.742274 125.7486       12.89056  129.4456       
17.69567  121.5687       18.81588  112.0227 7.817005 108.3773 8.608484 
3.645424       11.62805 
1 1 1 -8  31 12 o 139.9837 4.982578 200.0843       14.18349  206.9741       
19.95101  193.0440       20.16772  142.0979 6.904398 136.9865 7.265794 
5.111374       10.02310 
1 1 1 -8  31 13 o 110.7008 5.964767 125.7730       13.37796  136.0954       
18.63687  114.8004       19.21496  114.7432 8.037957 105.0905 9.080549 
9.652763       12.12704 
1 1 1 -8  31 14 o 186.8938 4.858851 356.8247       18.46631  359.6858       
25.66908  353.7557       26.58564  187.2355 6.741719 185.6091 7.043626 
1.626343       9.750049 
1 1 1 -8  31 15 o 166.0293 5.293287 281.9909       17.87153  286.7483       
25.18704  277.1671       25.36219  166.9359 7.419520 164.0750 7.601385 
2.860886       10.62216 
1 1 1 -8  31 16 o 87.59913 12.31275 82.18209       21.32788  82.18209       
21.32788  0.000000       0.000000  87.59913 12.31275 ?        ?        
0.000000       12.31275 
1 1 1 -8  31 17 o 26.89994 12.15551 -6.753974      14.18254  -15.97011      
19.24374  4.203613       20.98323  28.87056 13.44659 38.03606 15.99033 
-9.165506      20.89262 
1 1 1 -8  31 18 o 124.0811 8.111901 159.9841       20.35555  175.1856       
33.14561  150.7792       25.79235  127.8259 12.92912 119.4836 10.72965 
8.342354       16.80141 
1 1 1 -8  31 19 o 179.1074 5.821561 329.7264       21.20335  345.5807       
30.45970  314.8213       29.53385  182.3926 8.212342 174.0259 8.345547 
8.366669       11.70857 
1 1 1 -8  31 20 o 81.94145 13.79812 75.03281       22.17498  118.9852       
43.65586  59.74915       25.74334  97.25830 22.51739 70.93802 17.85801 
26.32028       28.73919 
1 1 1 -8  31 21 o 66.16549 13.92997 50.54364       18.15010  39.50845       
25.78831  61.37548       25.54959  56.79766 18.99424 70.67490 17.79008 
-13.87725      26.02438 
1 1 1 -8  31 22 o 77.32835 11.73552 67.72002       17.87446  89.02669       
26.63950  50.27258       24.10650  85.49768 15.90762 62.26568 18.01301 
23.23200       24.03166 
1 1 1 -8  32 1  o 98.40559 9.815435 100.7613       19.37970  90.28106       
26.26760  113.2801       28.70890  91.82816 14.55192 103.2450 14.03799 
-11.41688      20.21939 
1 1 1 -8  32 2  o 109.1344 12.54726 125.2149       27.33931  0.000000       
0.000000  125.2149       27.33931  ?        ?        109.1344 12.54726 
0.000000       12.54726 
1 1 1 -8  32 3  o 32.46308 15.04259 -18.81118      23.61006  0.000000       
0.000000  -18.81118      23.61006  ?        ?        32.46308 15.04259 
0.000000       15.04259 
1 1 1 -8  32 4  o 188.4504 9.498340 366.2581       36.28254  0.000000       
0.000000  366.2581       36.28254  ?        ?        188.4504 9.498340 
0.000000       9.498340 
1 1 1 -8  32 5  o 163.0504 9.583627 274.4965       31.63657  0.000000       
0.000000  274.4965       31.63657  ?        ?        163.0504 9.583627 
0.000000       9.583627 
1 1 1 -8  32 6  o 145.2172 4.090698 214.8999       12.08000  228.6437       
17.51156  202.4218       16.68574  149.6240 5.755354 140.7751 5.828655 
8.848984       8.191296 
1 1 1 -8  32 7  o 96.81118 5.027086 95.88748       9.862706  99.38435       
13.40614  91.76203       14.56131  98.32663 6.745517 94.30975 7.658788 
4.016876       10.20583 
1 1 1 -8  32 8  o 56.17164 8.569446 33.14433       9.478655  46.87889       
13.01371  17.62487       13.83350  66.73392 9.888949 41.96053 13.90735 
24.77339       17.06475 
1 1 1 -8  32 9  o 56.57504 11.25503 34.29633       12.49299  64.27341       
23.90170  23.02831       14.65406  76.73444 15.84241 46.66993 14.18474 
30.06451       21.26473 
1 1 1 -8  32 10 o 195.9403 4.986696 391.9646       19.86955  406.4980       
23.93215  359.7207       35.64695  199.3765 5.902776 186.5016 9.429762 
12.87494       11.12489 
1 1 1 -8  32 11 o 187.7501 4.412192 359.6333       16.84558  369.1458       
23.52249  349.6183       24.13586  189.9251 6.090452 184.7664 6.423748 
5.158707       8.852015 
1 1 1 -8  32 12 o 120.2370 5.338826 147.7768       13.05376  142.5905       
18.12962  153.3602       18.81081  117.5461 7.625715 121.9216 7.625412 
-4.375549      10.78418 
1 1 1 -8  32 13 o 224.2673 4.447807 513.4286       20.28446  526.3293       
28.62467  500.4157       28.74884  226.6407 6.210852 220.9387 6.398780 
5.701981       8.917347 
1 1 1 -8  32 14 o 122.6274 6.014815 154.1056       14.99896  127.6769       
20.14573  186.9760       22.46710  110.7289 9.025374 134.3653 8.262638 
-23.63634      12.23636 
1 1 1 -8  32 15 o 155.7708 5.553015 248.5125       17.59002  243.3164       
24.72291  253.8394       25.03206  153.3546 7.955100 156.6684 7.882314 
-3.313797      11.19886 
1 1 1 -8  32 16 o 101.7806 10.60849 109.3692       21.63418  109.3692       
21.63418  0.000000       0.000000  101.7806 10.60849 ?        ?        
0.000000       10.60849 
1 1 1 -8  32 17 o 23.20406 11.01221 -16.26073      14.01613  -6.024193      
19.47683  -27.25604      20.18579  32.42864 14.48129 26.68342 12.81323 
5.745220       19.33615 
1 1 1 -8  32 18 o 44.20259 14.70698 20.48457       15.46457  17.60396       
21.40378  23.63071       22.36850  44.84809 17.02471 48.75006 17.60344 
-3.901974      24.48922 
1 1 1 -8  32 19 o 118.6406 7.756465 146.8070       18.61022  121.6784       
25.60535  174.9455       27.09548  106.0552 12.08865 128.2744 10.47889 
-22.21926      15.99821 
1 1 1 -8  32 20 o 60.76136 16.34945 43.61699       20.64508  102.1472       
39.75782  22.00807       24.15732  89.29258 22.03115 47.30790 18.05601 
41.98468       28.48493 
1 1 1 -8  32 21 o 37.19801 14.81056 11.24612       16.81330  14.33646       
24.34952  8.429980       23.24417  42.56777 17.50165 39.44268 16.71872 
3.125088       24.20379 
1 1 1 -8  32 22 o 60.95374 14.25349 45.13263       17.35176  45.41790       
24.21591  44.83160       24.87558  58.29797 18.32516 57.74729 18.62014 
0.5506744      26.12510 
1 1 1 -8  33 1  o 131.5402 7.902921 178.3251       21.04159  185.8586       
29.08444  170.0518       30.47913  133.5353 10.80314 127.3556 11.90699 
6.179710       16.07745 
1 1 1 -8  33 2  o 74.08272 12.47384 58.59517       18.12416  74.01682       
26.17401  44.38910       25.12127  82.36547 16.20415 63.61379 18.38396 
18.75168       24.50601 
1 1 1 -8  33 3  o 141.5005 7.235482 205.7185       20.75018  242.7746       
29.47598  169.3128       29.21612  153.1935 9.508825 127.3150 11.40564 
25.87852       14.84946 
1 1 1 -8  33 4  o 161.9385 6.994850 268.5928       23.03456  262.4560       
33.62993  274.0163       31.61494  159.0390 10.45680 162.7735 9.593601 
-3.734467      14.19091 
1 1 1 -8  33 5  o 23.74697 11.32606 -19.59680      15.20307  -29.88174      
20.97444  -8.211432      22.06801  27.10255 13.02681 34.38725 15.38098 
-7.284700      20.15619 
1 1 1 -8  33 6  o 216.1611 3.106676 475.7929       13.65605  479.5834       
16.92348  468.7182       23.12042  216.9365 3.836239 214.2451 5.306810 
2.691422       6.548203 
1 1 1 -8  33 7  o 287.6684 5.561252 845.5179       32.53240  0.000000       
0.000000  845.5179       32.53240  ?        ?        287.6684 5.561252 
0.000000       5.561252 
1 1 1 -8  33 8  o 99.52788 5.271979 101.4595       10.63210  102.2351       
14.63206  100.5919       15.47549  99.58198 7.275958 98.67783 7.775097 
0.9041443      10.64855 
1 1 1 -8  33 9  o 88.78455 7.737313 81.57209       13.82981  75.11654       
26.82734  83.90860       16.13968  82.71715 16.52705 89.79512 8.958320 
-7.077972      18.79880 
1 1 1 -8  33 10 o 202.9633 5.016389 420.7654       20.70428  453.8500       
25.05031  349.4438       36.77983  210.6194 5.848753 183.5073 9.892645 
27.11209       11.49227 
1 1 1 -8  33 11 o 273.1830 4.230890 761.4166       23.50373  726.6268       
32.69135  798.6406       33.81575  266.3965 6.034663 279.3115 5.953588 
-12.91504      8.477167 
1 1 1 -8  33 12 o 244.8193 4.305829 611.7350       21.43650  618.8680       
30.10021  604.3939       30.53606  245.7972 6.022006 242.8572 6.183162 
2.940048       8.631108 
1 1 1 -8  33 13 o 85.80560 7.551326 76.36575       13.04199  67.88440       
17.62564  86.62843       19.38843  79.91475 11.14962 90.57338 10.73562 
-10.65863      15.47797 
1 1 1 -8  33 14 o 302.1600 6.487240 937.6513       39.86102  937.6513       
39.86102  0.000000       0.000000  302.1600 6.487240 ?        ?        
0.000000       6.487240 
1 1 1 -8  33 15 o 49.99926 13.38574 27.50232       13.88031  10.30508       
18.51855  49.55054       20.96836  39.28879 15.57484 66.50269 15.74824 
-27.21390      22.14910 
1 1 1 -8  33 16 o 87.18594 9.796448 80.19250       17.06799  89.91065       
21.32326  62.86289       28.47451  91.70618 11.70080 73.80179 18.89272 
17.90440       22.22259 
1 1 1 -8  33 17 o 21.68072 10.55353 -25.33097      14.90643  -27.59556      
20.68958  -22.88657      21.49525  27.01954 12.97397 28.92038 13.69959 
-1.900833      18.86803 
1 1 1 -8  33 18 o 77.61098 10.85020 64.71804       16.65608  58.02682       
22.95004  72.16476       24.21101  71.25589 16.20452 80.03230 15.43575 
-8.776413      22.37966 
1 1 1 -8  33 19 f 98.02062 8.893892 101.5949       17.53503  112.6589       
25.06551  90.99041       24.53942  101.5062 12.40105 90.35506 13.79265 
11.15114       18.54786 
1 1 1 -8  33 20 o 170.9347 7.291745 305.4117       25.34622  296.0382       
46.55505  309.3606       30.21714  161.7032 14.30544 170.8383 8.727066 
-9.135071      16.75731 
1 1 1 -8  33 21 o 39.88355 15.15317 16.14146       16.96576  15.08082       
24.90461  17.05991       23.17506  42.56557 17.62006 42.79742 17.26735 
-0.2318420     24.67039 
1 1 1 -8  33 22 o 30.33654 13.50271 -0.6962138     16.78483  -43.95109      
23.97384  40.89293       23.50769  25.24881 12.50275 54.83393 18.12726 
-29.58512      22.02081 
1 1 1 -8  34 1  o 211.4044 6.257597 457.6506       26.90129  418.9456       
37.11892  500.4705       39.04223  201.4875 9.059325 220.3424 8.713350 
-18.85490      12.56956 
1 1 1 -8  34 2  o 173.7932 6.692344 309.5213       23.65170  328.5566       
34.22215  292.1148       32.72515  178.1185 9.482301 167.8749 9.626360 
10.24355       13.51225 
1 1 1 -8  34 3  o 172.5041 6.567531 304.8047       23.03844  350.8602       
32.79862  259.9502       32.36818  184.5568 8.739250 158.2071 10.11390 
26.34967       13.36658 
1 1 1 -8  34 4  o 71.08256 11.81725 53.88892       16.48195  61.49567       
22.87325  45.67359       23.77063  74.99346 15.51059 64.28273 17.64725 
10.71073       23.49476 
1 1 1 -8  34 5  o 99.55721 9.033248 102.9783       18.08897  108.7587       
25.19523  96.82912       25.98645  101.3876 12.48403 95.15836 13.83433 
6.229248       18.63437 
1 1 1 -8  34 6  o 143.6884 3.459125 210.3594       10.10740  211.5225       
10.75256  201.5302       29.62497  144.0664 3.670270 139.0765 10.55366 
4.989883       11.17366 
1 1 1 -8  34 7  o 85.64089 5.340289 75.23721       9.253976  64.00384       
12.03167  91.50749       14.48000  78.57748 7.625691 94.08188 7.634363 
-15.50439      10.79049 
1 1 1 -8  34 8  o 23.85296 10.14001 0.2635474      8.592044  -5.312195      
11.15380  8.400896       13.47450  24.04693 10.83092 34.62171 13.41456 
-10.57478      17.24121 
1 1 1 -8  34 9  o 73.15426 9.076700 56.07193       13.21255  20.15112       
24.70849  70.45644       15.63582  48.63256 18.33241 82.00536 9.555374 
-33.37280      20.67323 
1 1 1 -8  34 10 o 177.2047 5.065794 320.9232       18.25468  328.9809       
21.87561  302.4448       33.12746  179.2303 6.002016 170.6499 9.585012 
8.580414       11.30914 
1 1 1 -8  34 11 o 125.6040 5.292989 161.3617       13.51935  143.5711       
18.38465  182.3101       19.94959  117.8451 7.714287 132.9332 7.409340 
-15.08810      10.69619 
1 1 1 -8  34 12 o 177.8209 6.347321 324.4345       22.95221  324.4345       
22.95221  0.000000       0.000000  177.8209 6.347321 ?        ?        
0.000000       6.347321 
1 1 1 -8  34 13 o 27.43454 11.69988 0.4104355      11.50550  14.19404       
15.66708  -15.72515      16.95114  39.92988 14.68413 26.65117 12.48079 
13.27871       19.27158 
1 1 1 -8  34 14 o 162.8045 5.198967 271.3938       17.21214  266.5616       
24.12069  276.4073       24.56877  160.7801 7.377445 163.7219 7.379474 
-2.941757      10.43472 
1 1 1 -8  34 15 o 56.14532 13.79387 34.98885       15.63564  45.05721       
18.91670  13.27690       27.77892  63.48200 14.90787 46.25983 18.81848 
17.22217       24.00791 
1 1 1 -8  34 16 o 153.5892 12.19225 251.5302       37.76675  0.000000       
0.000000  251.5302       37.76675  ?        ?        153.5892 12.19225 
0.000000       12.19225 
1 1 1 -8  34 17 o 42.91663 15.47567 17.86172       17.27919  -5.288031      
26.94655  34.02798       22.51827  38.39066 17.09651 55.13606 17.70941 
-16.74540      24.61532 
1 1 1 -8  34 18 o 62.78835 13.08758 44.01726       16.16881  74.40329       
24.14958  19.32950       21.76775  81.05303 15.21040 45.48529 17.19224 
35.56774       22.95495 
1 1 1 -8  34 19 o 77.54726 11.36155 65.92542       17.38520  33.96626       
24.34134  99.20468       24.83897  54.04285 18.45179 94.24197 13.33311 
-40.19912      22.76489 
1 1 1 -8  34 20 o 110.6436 10.00480 132.9355       22.26703  125.1315       
39.86094  136.4755       26.84633  97.95882 20.66047 110.5018 12.14766 
-12.54303      23.96708 
1 1 1 -8  34 21 o 24.49099 11.67336 -16.39925      16.09511  -1.372666      
24.14688  -28.41296      21.59084  35.37568 15.93458 26.39898 12.81579 
8.976702       20.44885 
1 1 1 -8  35 1  o 106.9165 8.729101 118.7741       18.81307  127.4982       
26.01188  109.2054       27.24215  109.8476 11.83140 100.9464 13.61845 
8.901237       18.04007 
1 1 1 -8  35 2  o 29.21704 13.17322 -7.578195      16.54956  -22.42640      
23.67030  6.621568       23.14767  31.28630 14.68230 40.98790 16.97872 
-9.701597      22.44654 
1 1 1 -8  35 3  o 128.2860 7.590723 169.7642       19.71410  158.1449       
27.07878  182.8681       28.75670  122.8464 10.95459 132.2217 10.78916 
-9.375252      15.37560 
1 1 1 -8  35 4  o 119.9396 8.067575 148.7280       19.56251  138.2561       
28.12976  158.5361       27.22362  114.3709 12.28746 122.9982 11.00029 
-8.627342      16.49206 
1 1 1 -8  35 5  o 72.18075 12.25633 55.87052       17.34670  79.98708       
25.56227  35.28495       23.61692  85.69276 15.22699 57.20826 18.11121 
28.48449       23.66172 
1 1 1 -8  35 6  o 155.5494 3.356472 246.5501       10.61703  246.9456       
11.29541  243.5515       31.10453  155.6520 3.568582 152.9671 10.05543 
2.684875       10.66989 
1 1 1 -8  35 7  o 237.8529 3.818823 576.8865       18.47096  581.5771       
25.57055  571.7684       26.71049  238.5072 5.272143 236.4158 5.555893 
2.091324       7.659206 
1 1 1 -8  35 8  o 59.39359 7.844072 36.92116       9.242180  28.62415       
11.99828  49.02745       14.49319  51.36258 11.74310 67.84152 10.87271 
-16.47894      16.00363 
1 1 1 -8  35 9  o 63.10746 10.71328 42.53834       13.25686  43.50607       
25.22496  42.16906       15.58227  62.48686 18.52541 62.29357 12.73078 
0.1932907      22.47807 
1 1 1 -8  35 10 o 147.9798 5.494012 224.1413       16.53269  229.2624       
19.51029  211.0986       31.13608  149.4797 6.418448 141.8583 10.87622 
7.621445       12.62888 
1 1 1 -8  35 11 o 76.69393 7.694753 61.21502       11.83890  72.23878       
16.04385  48.03685       17.54169  82.85346 9.706336 66.25378 13.47867 
16.59969       16.60986 
1 1 1 -8  35 12 o 46.39804 11.87304 23.50365       11.24882  26.75749       
15.15015  19.50594       16.79284  49.42870 14.27438 44.20248 15.31587 
5.226223       20.93642 
1 1 1 -8  35 13 o 107.2736 6.414550 118.6980       13.92885  118.7216       
19.65201  118.6742       19.74506  106.5039 9.163028 106.4666 9.210698 
0.3728485E-01  12.99223 
1 1 1 -8  35 14 o 72.15262 9.689716 55.22149       13.85790  70.43220       
19.83091  40.70487       19.37317  80.64771 12.49629 60.11096 15.68348 
20.53674       20.05315 
1 1 1 -8  35 15 o 73.03608 11.60406 57.60334       16.65806  56.47237       
19.81646  60.32756       30.75547  71.36275 14.15518 71.58931 20.23040 
-0.2265549     24.69086 
1 1 1 -8  35 16 o 112.2350 8.240518 131.4850       18.67615  142.6291       
23.02437  110.0478       31.93366  116.2977 9.827669 98.89054 16.45817 
17.40718       19.16910 
1 1 1 -8  35 17 o 80.50134 11.17186 69.94405       17.79558  61.03141       
27.99874  75.98472       23.05035  71.69184 18.92670 82.57050 14.24230 
-10.87865      23.68677 
1 1 1 -8  35 18 o 92.84468 9.418301 91.80111       17.53590  97.69788       
25.48557  86.49917       24.16601  93.50848 13.81900 87.79221 14.00698 
5.716278       19.67639 
1 1 1 -8  35 19 o 228.0572 5.491800 537.4235       25.46889  572.6186       
37.80954  508.1882       34.45993  233.3518 7.967808 220.0727 7.700108 
13.27908       11.08051 
1 1 1 -8  35 20 f 77.41666 13.07845 69.46715       19.85583  58.48471       
37.81704  73.64706       23.33038  63.36553 22.88760 78.12002 15.23337 
-14.75449      27.49359 
1 1 1 -8  35 21 o 32.57617 13.98295 4.713473       16.62679  -8.918518      
24.26065  16.78720       22.83198  32.71062 15.18930 41.31774 16.96290 
-8.607113      22.76960 
1 1 1 -8  36 1  o 227.9381 6.225608 532.8929       28.85693  572.6245       
41.34583  495.1568       40.29422  235.3393 8.639444 218.6606 9.061932 
16.67871       12.52033 
1 1 1 -8  36 2  o 37.64469 14.61707 10.22298       16.02508  8.672133       
21.52369  12.15193       24.00451  40.68713 16.55963 43.98903 17.63492 
-3.301895      24.19115 
1 1 1 -8  36 3  o 24.94569 11.75782 -16.25939      15.47269  -27.38588      
20.72128  -2.237336      23.26180  27.28714 13.07095 37.28387 16.26884 
-9.996735      20.86924 
1 1 1 -8  36 4  o 154.3117 6.936141 244.5998       21.76548  235.3010       
29.81611  255.2081       31.84616  150.2890 9.809820 156.4449 10.06363 
-6.155960      14.05380 
1 1 1 -8  36 5  o 79.74171 11.26691 67.59444       17.76129  70.75901       
24.28037  63.95197       26.04934  80.22368 15.44382 75.56123 17.32289 
4.662453       23.20763 
1 1 1 -8  36 6  o 91.84107 9.683666 88.39874       17.81278  98.28323       
25.39147  78.82025       24.99536  95.65882 13.42248 84.91576 15.02479 
10.74306       20.14714 
1 1 1 -8  36 7  o 50.15772 6.326061 26.20163       6.308907  34.02907       
7.103592  -3.027958      13.72713  57.28429 6.196814 28.13361 12.38078 
29.15069       13.84501 
1 1 1 -8  36 8  o 81.66560 6.069554 68.74206       10.00765  65.01721       
12.93670  74.29303       15.79261  78.96910 8.174270 84.15662 9.388142 
-5.187523      12.44813 
1 1 1 -8  36 9  o 47.15507 13.02671 24.24588       12.90530  9.031390       
24.80914  29.89003       15.11063  42.94898 17.66312 52.12752 13.97099 
-9.178543      22.52053 
1 1 1 -8  36 10 o 43.54161 11.74595 20.60417       10.63973  10.02925       
13.81322  36.03076       16.68367  35.81528 13.65736 57.02157 14.38815 
-21.20628      19.83790 
1 1 1 -8  36 11 o 159.1486 4.709851 259.0114       15.24268  239.0546       
20.67878  282.7564       22.55618  152.4565 6.670025 165.8016 6.689988 
-13.34511      9.446966 
1 1 1 -8  36 12 o 137.8281 5.181800 194.5813       14.52346  200.5998       
20.17811  188.1117       20.92054  139.3075 7.146922 134.7225 7.667983 
4.584976       10.48220 
1 1 1 -8  36 13 o 142.4814 5.317116 208.1149       15.40586  202.9696       
21.42315  213.6255       22.17041  139.9337 7.556530 143.5462 7.622371 
-3.612427      10.73320 
1 1 1 -8  36 14 o 173.5053 7.234325 310.9883       25.52479  0.000000       
0.000000  310.9883       25.52479  ?        ?        173.5053 7.234325 
0.000000       7.234325 
1 1 1 -8  36 15 o 23.16219 11.16042 -22.41613      15.62264  -6.496884      
18.66604  -59.64858      28.54643  31.32760 14.06959 27.69491 13.70135 
3.632694       19.63875 
1 1 1 -8  36 16 o 80.51619 11.09115 69.85356       17.67783  77.39959       
21.79866  55.35736       30.21325  83.89067 13.21535 68.00569 20.30037 
15.88498       24.22293 
1 1 1 -8  36 17 o 58.45181 14.97037 39.25302       17.87257  46.28823       
28.72737  34.81034       22.82860  62.12397 20.00762 54.96958 17.84868 
7.154392       26.81194 
1 1 1 -8  36 18 o 62.38393 13.35982 44.37485       16.43734  42.48675       
24.14285  46.00629       22.44204  59.14175 18.24991 61.76966 17.22026 
-2.627914      25.09176 
1 1 1 -8  36 19 o 62.05445 13.56098 44.96031       16.63454  79.53649       
25.75751  20.22151       21.78736  81.12127 16.18147 44.36778 17.09495 
36.75349       23.53885 
1 1 1 -8  36 20 o 41.63324 15.98926 18.81110       19.01700  34.29823       
36.25494  12.93262       22.33645  51.90234 21.34962 39.83303 16.60404 
12.06930       27.04627 
1 1 1 -8  36 21 o 46.29075 15.33838 27.63721       16.82724  8.324060       
25.17566  43.23256       22.62309  38.10998 16.76902 55.50409 17.74249 
-17.39411      24.41303 
1 1 1 -8  37 1  o 145.6358 7.278258 218.5222       21.55496  219.6476       
29.95852  217.3143       31.03669  144.7499 10.24388 143.7841 10.69130 
0.9658356      14.80679 
1 1 1 -8  37 2  o 145.3041 7.061460 217.2861       20.86526  212.6986       
29.19294  222.0770       29.83334  142.5242 10.13863 145.6472 10.13592 
-3.122971      14.33627 
1 1 1 -8  37 3  o 120.0244 8.222607 149.5078       19.94827  157.7712       
28.74258  141.8286       27.70808  122.0677 11.72326 115.5881 11.96111 
6.479630       16.74822 
1 1 1 -8  37 4  o 165.1560 6.728210 280.3195       22.59671  248.3902       
31.21020  315.4967       32.75920  154.1745 10.00895 174.1460 9.284076 
-19.97144      13.65185 
1 1 1 -8  37 5  o 89.37569 9.562655 83.85847       17.11031  92.23485       
24.40022  75.75463       24.00001  92.47617 13.36273 83.14129 14.73468 
9.334885       19.89153 
1 1 1 -8  37 6  o 146.0550 7.435090 220.3145       22.00979  210.8163       
30.74716  230.2964       31.52032  141.6700 10.75296 148.2001 10.52750 
-6.530136      15.04840 
1 1 1 -8  37 7  o 108.4596 4.153923 120.1112       9.161738  117.2098       
9.700555  144.0733       27.87769  107.1080 4.453722 116.4832 11.93769 
-9.375145      12.74143 
1 1 1 -8  37 8  o 189.3794 4.055623 366.1645       15.61859  376.6615       
21.42845  354.2676       22.81250  191.7454 5.495591 185.8136 6.037316 
5.931839       8.163988 
1 1 1 -8  37 9  o 38.11111 13.47217 13.85183       13.03212  39.52591       
25.07943  4.355007       15.25314  59.46395 18.64210 33.38987 13.80298 
26.07408       23.19590 
1 1 1 -8  37 10 o 164.5741 4.585340 276.9667       15.34562  286.0898       
21.16729  266.8598       22.27937  166.8583 6.238294 160.9924 6.805279 
5.865906       9.231909 
1 1 1 -8  37 11 o 76.51337 7.773804 61.14658       11.92748  57.59059       
15.64499  66.08207       18.43147  73.33264 10.81596 78.23897 11.96496 
-4.906326      16.12902 
1 1 1 -8  37 12 o 154.7497 4.962365 245.3069       15.61600  246.7627       
21.69304  243.7411       22.49766  154.6754 6.896800 153.6270 7.201424 
1.048431       9.971276 
1 1 1 -8  37 13 o 94.56389 7.058787 92.84754       13.47613  109.6093       
19.43027  77.31113       18.70658  101.9826 9.477588 84.92296 11.09764 
17.05965       14.59392 
1 1 1 -8  37 14 o 42.41029 13.61992 19.21238       13.31950  29.43953       
18.50789  8.224960       19.18349  51.42378 15.99712 38.27761 15.61238 
13.14617       22.35295 
1 1 1 -8  37 15 o 182.3569 5.355921 341.5281       19.86130  363.3385       
28.19177  320.0356       27.98561  187.2393 7.404129 175.5264 7.840450 
11.71288       10.78396 
1 1 1 -8  37 16 o 80.89906 11.62752 71.25410       18.57880  75.58690       
23.37432  63.82042       30.61657  81.92464 14.56415 72.33770 20.09467 
9.586937       24.81754 
1 1 1 -8  37 17 o 73.56632 11.42511 59.46217       16.53745  42.78411       
23.51484  75.78374       23.26217  59.66430 17.93163 81.50423 14.56997 
-21.83992      23.10470 
1 1 1 -8  37 18 o 103.1740 8.443727 113.2956       17.56041  118.9053       
26.20348  108.7224       23.65928  102.8621 12.80430 98.86402 12.01524 
3.998085       17.55893 
1 1 1 -8  37 19 o 48.19992 14.94243 28.19430       16.16367  35.98486       
23.65602  21.37197       22.13725  52.95380 18.18783 44.40162 17.19691 
8.552181       25.03060 
1 1 1 -8  37 20 o 31.23779 14.11479 -2.337695      19.11946  -32.09999      
36.94456  8.549130       22.34436  34.63921 16.80421 37.32571 16.11703 
-2.686504      23.28391 
1 1 1 -8  38 1  o 90.29944 10.08879 86.22379       18.20909  96.53236       
24.82983  74.22859       26.78416  94.34196 13.31245 81.05418 16.80166 
13.28779       21.43635 
1 1 1 -8  38 2  f 130.6968 7.471002 176.8648       19.77375  163.1547       
27.45036  191.6520       28.50824  124.2165 10.98028 134.9239 10.47240 
-10.70743      15.17359 
1 1 1 -8  38 3  o 127.1118 7.985303 167.7024       20.53603  171.1633       
29.45210  164.4276       28.64920  127.0464 11.52538 124.5403 11.44020 
2.506035       16.23923 
1 1 1 -8  38 4  o 147.0885 7.011967 222.8399       20.97346  220.4538       
29.66866  225.2236       29.65323  144.9682 10.12771 146.5880 10.00749 
-1.619827      14.23799 
1 1 1 -8  38 5  o 116.1696 8.503045 140.5420       19.94760  151.2861       
28.50485  130.2310       27.92443  119.2351 11.91566 110.2185 12.69059 
9.016548       17.40787 
1 1 1 -8  38 6  f 68.34364 12.64972 50.89974       16.93298  47.95433       
24.98146  53.40317       23.03098  64.81174 18.20393 68.69954 16.65786 
-3.887794      24.67524 
1 1 1 -8  38 7  o 75.35137 4.949891 58.36031       7.542506  55.32145       
7.893695  90.25083       25.57145  73.28991 5.333020 90.79607 14.32452 
-17.50616      15.28506 
1 1 1 -8  38 8  o 175.8194 4.152650 315.8234       14.84716  302.2368       
19.85435  333.0602       22.36289  171.6353 5.688498 180.0515 6.107727 
-8.416229      8.346457 
1 1 1 -8  38 9  o 30.69852 12.79936 2.983519       13.27717  30.42922       
24.85791  -7.971793      15.70507  53.60983 18.63092 27.95194 12.69502 
25.65789       22.54495 
1 1 1 -8  38 10 o 179.3010 4.519212 328.9036       16.47771  315.0369       
22.27388  345.6660       24.48936  174.9866 6.259501 183.1850 6.574098 
-8.198349      9.077451 
1 1 1 -8  38 11 o 93.57089 6.729059 90.74713       12.71853  95.20280       
17.23242  85.41592       18.84961  95.15223 9.013322 89.53454 10.55576 
5.617691       13.88035 
1 1 1 -8  38 12 o 167.5573 4.916873 287.7495       16.75343  283.8753       
23.16208  292.0004       24.26204  165.7991 6.869796 168.0674 7.098921 
-2.268265      9.878703 
1 1 1 -8  38 13 o 93.88645 7.477553 91.89026       14.15788  94.34355       
19.91093  89.38131       20.13550  94.00160 10.60124 91.27189 11.07547 
2.729713       15.33142 
1 1 1 -8  38 14 o 65.51746 12.66598 47.48067       16.26463  62.42272       
19.51205  13.45865       29.44271  75.09835 13.26169 46.49257 19.19483 
28.60578       23.33053 
1 1 1 -8  38 15 o 45.45315 13.91712 22.90661       14.07114  31.90904       
19.53688  13.20314       20.28330  52.89587 16.43264 41.28413 16.32087 
11.61174       23.16036 
1 1 1 -8  38 16 o 101.2083 11.11187 110.9905       22.49306  112.0615       
30.89903  109.7831       32.80657  98.67041 15.94315 96.66084 17.32657 
2.009575       23.54557 
1 1 1 -8  38 17 o 50.16626 14.73423 29.37823       16.02079  36.89133       
22.95765  22.24643       22.36750  55.21789 17.89665 46.26650 17.44191 
8.951389       24.99021 
1 1 1 -8  38 18 o 128.5139 7.130734 174.1195       18.56212  186.5984       
27.32521  163.4270       25.29392  130.5177 10.38118 122.1931 10.27467 
8.324615       14.60608 
1 1 1 -8  38 19 o 83.90409 10.47057 79.14796       17.47623  69.36709       
24.63281  89.06068       24.79827  73.11482 16.90515 85.26160 14.84182 
-12.14678      22.49586 
1 1 1 -8  38 20 o 86.25272 11.75021 87.60967       20.07327  79.49860       
38.69165  90.59681       23.48039  66.76315 23.24161 85.42160 14.00250 
-18.65845      27.13379 
1 1 1 -8  39 1  o 99.58174 9.640823 104.6316       19.27853  97.15559       
27.77759  111.5791       26.77780  93.53078 15.12050 101.2624 13.32774 
-7.731590      20.15585 
1 1 1 -8  39 2  o 29.08483 12.93088 -4.255384      15.34990  -16.83207      
20.52190  11.71686       23.12690  29.65308 13.83609 42.69629 17.24138 
-13.04320      22.10662 
1 1 1 -8  39 3  o 51.43343 15.18098 29.38748       16.97003  48.81253       
25.15594  13.16523       22.98872  65.04073 18.26709 43.35479 17.30046 
21.68594       25.15934 
1 1 1 -8  39 4  o 54.44971 14.44282 33.13239       16.25422  30.80351       
22.42091  35.71226       23.59813  53.22609 17.70845 56.56230 18.12503 
-3.336212      25.33981 
1 1 1 -8  39 5  o 153.2765 6.934706 242.2733       21.61499  244.4213       
31.51641  240.3657       29.70074  152.3937 10.22925 151.3774 9.699413 
1.016235       14.09668 
1 1 1 -8  39 6  o 120.9011 8.206160 152.2597       20.05591  193.6577       
31.56474  124.2306       25.97270  134.8785 11.62168 107.6359 12.07429 
27.24262       16.75864 
1 1 1 -8  39 7  o 123.4616 3.892830 155.6975       9.773471  162.1061       
10.41749  108.6205       28.23473  125.9504 4.067354 99.45435 14.37810 
26.49609       14.94233 
1 1 1 -8  39 8  o 190.8156 3.811917 371.8912       14.79138  374.6208       
16.19471  358.1571       36.32612  191.4320 4.160132 184.7541 9.702785 
6.677933       10.55702 
1 1 1 -8  39 9  o 89.40434 8.314392 83.75065       14.94291  122.8692       
28.44065  68.83414       17.56231  106.1616 13.47776 80.03815 11.08813 
26.12344       17.45270 
1 1 1 -8  39 10 o 42.14224 12.34137 19.39932       11.25431  19.62568       
14.46863  19.05257       17.90779  43.06158 14.22067 43.91127 15.76352 
-0.8496933     21.23007 
1 1 1 -8  39 11 o 88.82915 7.373877 82.27613       13.19954  86.10869       
17.43076  77.12399       20.21001  90.10745 9.663535 84.22599 12.15114 
5.881462       15.52527 
1 1 1 -8  39 12 f 50.17881 12.35693 28.01569       12.52554  35.75812       
16.96249  18.73159       18.57467  56.12834 14.69029 43.85183 16.00954 
12.27651       21.72809 
1 1 1 -8  39 13 o 123.9733 6.285656 158.9644       15.79456  156.1918       
21.59501  162.1536       23.16086  121.9155 8.769076 124.0072 9.251104 
-2.091713      12.74675 
1 1 1 -8  39 14 o 149.9046 6.774438 232.6632       20.65094  207.9989       
23.45806  317.6124       43.53487  140.9200 8.221627 171.0277 12.60642 
-30.10773      15.05048 
1 1 1 -8  39 15 o 126.7847 6.759995 167.1989       17.36578  191.3890       
24.47326  142.6672       24.64548  134.5311 8.997649 115.1758 10.64300 
19.35534       13.93668 
1 1 1 -8  39 16 f 42.76140 16.51190 17.10373       20.36108  23.17112       
27.28733  9.481945       30.58359  48.46542 19.00275 44.21678 18.97155 
4.248646       26.85189 
1 1 1 -8  39 17 o 77.37697 10.94869 66.41626       16.74668  81.39790       
23.67510  51.41364       23.69168  83.38453 14.48800 63.89394 17.64986 
19.49059       22.83461 
1 1 1 -8  39 18 o 105.2892 8.614141 119.9895       18.28219  89.33831       
25.54101  152.1953       26.18069  85.52310 15.24498 116.3117 11.20766 
-30.78858      18.92144 
1 1 1 -8  39 19 o 27.29932 12.55900 -6.147839      16.03392  -1.838406      
23.22116  -10.07467      22.16638  33.76853 15.37527 30.65853 14.33022 
3.109999       21.01795 
1 1 1 -8  40 1  o 77.56011 11.28587 65.02019       17.27815  73.79066       
23.59608  54.88121       25.37027  81.10522 14.85411 68.43392 17.99237 
12.67130       23.33174 
1 1 1 -8  40 2  o 41.85172 14.89411 17.31451       15.95393  15.30974       
21.81465  19.61975       23.39241  43.54289 17.01331 46.60965 17.77300 
-3.066757      24.60350 
1 1 1 -8  40 3  o 28.22692 12.69441 -5.864123      15.25444  -10.47613      
21.18336  -0.8964309     21.98503  32.11795 14.64749 36.22810 15.81190 
-4.110149      21.55378 
1 1 1 -8  40 4  f 157.2678 7.059163 255.6310       22.57587  233.2533       
32.43614  276.6572       31.44130  148.2565 10.83382 162.2512 9.571690 
-13.99467      14.45645 
1 1 1 -8  40 5  o 75.28651 11.25734 61.18166       16.70560  59.89975       
24.15329  62.35728       23.13048  72.20230 16.77103 74.11480 15.82825 
-1.912498      23.06081 
1 1 1 -8  40 6  o 54.16056 14.54265 33.03801       16.35461  28.50285       
23.31584  37.43058       22.94641  51.69488 18.03934 57.29182 17.81064 
-5.596943      25.35028 
1 1 1 -8  40 7  o 89.87675 4.297148 82.64861       7.853786  80.94257       
8.199845  101.5904       27.32265  88.79586 4.556448 95.75974 14.48338 
-6.963882      15.18320 
1 1 1 -8  40 8  o 65.18431 6.425476 44.22793       8.406478  45.75862       
9.005131  33.85022       23.44754  66.22729 6.782212 54.90465 18.10181 
11.32264       19.33065 
1 1 1 -8  40 9  o 119.1626 5.336508 145.8528       12.93149  152.4763       
16.97087  136.6828       19.96834  121.2373 6.912250 114.1126 8.669951 
7.124634       11.08816 
1 1 1 -8  40 10 o 100.0864 6.418998 103.8068       12.99565  94.21526       
16.85046  117.8865       20.41572  94.51734 8.870738 105.4945 9.622521 
-10.97712      13.08751 
1 1 1 -8  40 11 o 63.01099 10.12285 42.86034       12.53175  36.38227       
16.45792  51.79869       19.33217  56.60323 14.29479 67.63116 14.49261 
-11.02793      20.35625 
1 1 1 -8  40 12 o 149.8188 5.404389 230.8321       16.46510  226.8707       
22.13985  235.7343       24.62886  147.8123 7.365674 150.1473 8.096243 
-2.334976      10.94542 
1 1 1 -8  40 13 o 226.7036 6.734473 532.3323       31.04655  532.3323       
31.04655  0.000000       0.000000  226.7036 6.734473 ?        ?        
0.000000       6.734473 
1 1 1 -8  40 14 o 137.7059 7.161259 197.7444       19.98445  176.2261       
23.06806  262.4788       40.01058  129.1335 8.837707 154.6289 12.84042 
-25.49539      15.58787 
1 1 1 -8  40 15 o 35.18156 13.97476 9.214475       14.93678  -6.642079      
20.68680  26.48537       21.58969  32.35266 14.64444 48.73285 17.32802 
-16.38019      22.68744 
1 1 1 -8  40 16 o 91.03662 12.53798 93.44055       22.59528  105.5983       
30.71308  79.09701       33.35988  93.48991 16.77122 77.16104 20.79167 
16.32887       26.71268 
1 1 1 -8  40 17 o 26.92564 12.41417 -8.173982      15.78471  -9.514648      
21.35227  -6.558425      23.43930  31.12808 14.38207 33.50807 15.32994 
-2.379990      21.02025 
1 1 1 -8  40 18 o 58.15987 14.02573 41.96038       16.39565  38.71810       
23.51753  45.02655       22.86992  52.98149 18.13662 57.20250 17.78062 
-4.221012      25.39857 
1 1 1 -8  40 19 o 22.21360 10.79732 -20.55943      15.45272  -0.2841622     
23.01006  -37.21529      20.85538  33.50355 15.27420 23.45879 11.62438 
10.04476       19.19446 
1 1 1 -8  41 1  o 94.16176 9.893349 94.48994       18.66066  95.19770       
25.23299  93.63564       27.72267  92.58566 13.82574 90.82724 15.56987 
1.758415       20.82239 
1 1 1 -8  41 2  o 96.10027 9.941696 98.34443       19.14746  126.1215       
27.72041  72.99879       26.47940  107.3684 12.95813 79.31800 16.93196 
28.05043       21.32146 
1 1 1 -8  41 3  o 81.91032 10.74183 72.20090       17.46107  52.36996       
24.21965  93.66409       25.19668  66.77061 17.59145 91.89577 13.91910 
-25.12516      22.43213 
1 1 1 -8  41 4  o 90.96573 9.967099 88.14941       18.13548  104.1177       
27.17052  75.31931       24.35476  96.83041 14.22240 81.59605 15.23827 
15.23436       20.84422 
1 1 1 -8  41 5  o 40.88501 15.02001 15.83239       16.38604  15.08350       
22.71889  16.64435       23.65623  43.70683 17.27478 44.96560 17.67348 
-1.258770      24.71376 
1 1 1 -8  41 6  o 112.8874 8.298862 133.5616       18.91733  123.5993       
27.16414  142.9431       26.36027  106.4206 12.80944 115.3291 11.38857 
-8.908493      17.14005 
1 1 1 -8  41 7  o 252.3127 3.696022 650.6412       18.96378  649.3314       
20.83094  656.9807       45.82801  251.9221 4.066221 250.3804 9.000761 
1.541718       9.876632 
1 1 1 -8  41 8  o 36.29400 10.03366 14.34920       7.653019  18.01465       
8.144627  -13.29360      22.36654  40.54622 9.951906 32.04071 14.77423 
8.505516       17.81343 
1 1 1 -8  41 9  o 24.48797 10.11062 2.251687       8.169593  7.416179       
9.279540  -15.54555      17.22618  29.88266 11.24057 26.64919 12.51227 
3.233461       16.81985 
1 1 1 -8  41 10 o 74.16552 8.363178 58.16801       12.39297  64.53215       
16.01344  48.66398       19.56902  77.37524 10.44414 65.11747 15.07565 
12.25777       18.33999 
1 1 1 -8  41 11 o 75.46541 8.687853 60.41869       13.08914  50.46026       
17.08743  74.55936       20.36180  67.20052 12.97395 82.22604 12.57724 
-15.02552      18.06960 
1 1 1 -8  41 12 o 67.01796 10.16338 48.61633       13.41646  32.93875       
17.46502  71.18757       20.95595  53.44340 15.29486 79.80534 13.38697 
-26.36194      20.32594 
1 1 1 -8  41 13 o 92.72463 9.368562 91.76952       17.42294  79.05135       
20.09712  130.2476       34.95654  84.73129 11.99918 105.6576 16.83448 
-20.92635      20.67317 
1 1 1 -8  41 14 o 121.6647 6.809986 154.5428       16.78088  171.0485       
22.95263  135.5889       24.59600  126.8318 8.956824 111.6305 10.97697 
15.20129       14.16752 
1 1 1 -8  41 15 o 96.50981 8.601608 99.54570       16.70422  110.4126       
23.38316  88.22064       23.87106  99.66222 11.76457 87.55550 13.86937 
12.10672       18.18694 
1 1 1 -8  41 16 o 118.4806 8.722375 151.1222       20.86742  154.0294       
25.25666  144.8692       37.04128  118.0600 10.63427 107.6427 17.52490 
10.41734       20.49902 
1 1 1 -8  41 17 o 98.18481 8.989855 105.6889       17.75008  112.6947       
24.21516  97.55315       26.09490  98.37230 12.37909 89.00568 14.94724 
9.366623       19.40778 
1 1 1 -8  41 18 o 37.63592 14.47314 15.95202       15.59426  33.48829       
23.22728  1.560788       21.04159  48.64999 17.88116 33.26996 14.94027 
15.38003       23.30123 
1 1 1 -8  41 19 o 38.53703 14.47697 18.67525       15.38255  13.64141       
22.93440  22.79161       20.73927  37.65087 16.29281 41.42314 16.46286 
-3.772270      23.16207 
1 1 1 -8  42 1  o 96.94921 10.17966 100.7811       19.76954  72.48947       
27.44252  131.3046       28.50441  78.08127 17.69266 109.0485 13.11722 
-30.96721      22.02479 
1 1 1 -8  42 2  o 66.99039 13.64320 50.65898       17.95437  23.06533       
24.77229  81.19408       26.05920  48.35554 18.32520 84.00288 15.83592 
-35.64734      24.21960 
1 1 1 -8  42 3  f 110.5160 8.442337 128.5515       18.82961  131.2457       
26.75059  125.9057       26.50924  109.7119 12.19669 107.3325 12.37198 
2.379349       17.37312 
1 1 1 -8  42 4  o 47.64022 15.19541 25.33920       16.60080  41.41606       
23.09455  8.151257       23.87926  59.24716 17.76263 40.83698 17.10725 
18.41018       24.66109 
1 1 1 -8  42 5  f 35.55317 14.17098 8.731165       15.40783  -5.753958      
22.82680  20.85402       20.88269  34.73288 15.58167 45.77933 16.93229 
-11.04645      23.01067 
1 1 1 -8  42 6  o 48.94180 15.67332 26.89382       17.64792  27.73046       
25.56097  26.13173       24.39564  51.16763 18.76528 49.96276 18.33115 
1.204861       26.23293 
1 1 1 -8  42 7  o 141.6727 3.633855 205.2075       10.46900  208.6405       
11.20402  181.5882       29.38815  142.8028 3.858207 129.8328 11.24201 
12.97002       11.88564 
1 1 1 -8  42 8  o 162.2000 3.932071 269.2601       12.96951  269.2091       
14.16251  269.5253       32.28517  162.0817 4.296894 159.1681 10.02584 
2.913666       10.90783 
1 1 1 -8  42 9  o 89.96932 5.742101 83.80022       10.45069  87.37321       
11.30299  62.75275       27.43324  91.77307 6.091176 72.02868 18.60000 
19.74439       19.57198 
1 1 1 -8  42 10 o 130.3501 5.465418 175.0375       14.48726  174.2183       
19.13257  176.1384       22.17962  129.1914 7.312635 129.3310 8.480299 
-0.1396027     11.19777 
1 1 1 -8  42 11 o 60.95468 10.75498 40.75471       12.84386  53.13674       
16.57512  22.14675       20.31937  69.13536 12.23760 46.09287 16.75719 
23.04249       20.74999 
1 1 1 -8  42 12 o 77.71182 8.761044 64.38802       13.60345  64.21782       
17.69524  64.63394       21.27088  76.23724 11.79483 75.06869 14.45849 
1.168549       18.65921 
1 1 1 -8  42 13 o 46.73986 15.05745 24.98284       16.26986  35.77085       
18.72245  -8.291513      32.88115  54.86086 15.87558 39.91520 18.22112 
14.94566       24.16699 
1 1 1 -8  42 14 o 61.78719 12.40340 43.55111       15.04286  62.69635       
20.53913  21.39858       22.09343  73.26649 14.29884 45.29578 17.27237 
27.97070       22.42302 
1 1 1 -8  42 15 o 45.97596 15.39386 25.06244       16.93867  6.404100       
26.07724  38.68080       22.27858  39.62123 17.25874 55.11433 17.60572 
-15.49310      24.65412 
1 1 1 -8  42 16 o 87.86652 11.13548 87.63965       19.45035  86.17464       
23.36923  90.94251       35.08890  84.63973 14.07153 78.84925 21.35609 
5.790482       25.57520 
1 1 1 -8  42 17 o 25.04191 11.73040 -9.682995      14.99181  12.81115       
21.36467  -31.50335      21.04225  38.14040 16.08989 24.79521 12.16819 
13.34519       20.17299 
1 1 1 -8  42 18 o 35.13736 14.05014 13.21834       15.19434  1.087738       
23.17049  22.37042       20.12584  33.49406 15.29215 41.37488 16.28891 
-7.880821      22.34230 
1 1 1 -8  43 1  o 51.35162 15.39214 30.56091       17.34314  52.08289       
23.71600  5.821270       25.42711  65.74089 17.44954 40.42694 17.32067 
25.31395       24.58642 
1 1 1 -8  43 2  o 63.01258 14.04985 45.51765       17.54431  54.09318       
23.75773  35.23202       26.01896  67.16004 17.29209 54.96527 19.06337 
12.19477       25.73768 
1 1 1 -8  43 3  o 75.22972 12.25296 62.75588       18.09961  58.07502       
26.92721  66.61377       24.44576  68.90951 18.72675 75.24914 16.43550 
-6.339630      24.91620 
1 1 1 -8  43 4  f 22.30181 10.79276 -22.35998      15.00489  -49.37603      
21.56008  3.016855       20.89576  23.31818 11.59926 36.44905 15.66130 
-13.13087      19.48895 
1 1 1 -8  43 5  o 125.3529 8.228188 165.3429       20.85798  206.3209       
30.42529  129.0076       28.64997  138.3845 10.89999 107.7156 13.36687 
30.66888       17.24769 
1 1 1 -8  43 6  o 34.58715 14.51285 4.830175       17.23157  12.07062       
24.70848  -2.025717      24.04337  42.74282 17.60851 36.71740 16.26049 
6.025421       23.96797 
1 1 1 -8  43 7  o 88.58569 4.092009 80.40636       7.371428  80.19271       
7.715449  82.64312       24.96435  88.43428 4.290315 84.95602 14.99861 
3.478264       15.60016 
1 1 1 -8  43 8  f 107.0175 4.652341 117.6229       10.12460  110.8710       
10.79734  166.7961       29.13853  103.7921 5.115652 123.7320 11.72041 
-19.93986      12.78820 
1 1 1 -8  43 9  o 24.09544 10.31289 0.3942138      8.997529  0.7392649      
9.762879  -1.551271      23.18196  25.24170 10.77142 36.20483 16.00331 
-10.96313      19.29066 
1 1 1 -8  43 10 o 34.05437 11.58389 11.93419       9.593147  18.07074       
11.11560  -5.978022      18.99089  40.40029 12.36939 31.26725 14.10324 
9.133036       18.75908 
1 1 1 -8  43 11 o 135.1700 5.804321 188.9821       15.95450  182.8621       
20.57827  198.2044       25.26112  131.9092 7.705046 136.4488 9.157066 
-4.539597      11.96744 
1 1 1 -8  43 12 o 65.21156 10.72596 46.94511       13.72904  40.83135       
17.44394  56.89604       22.25472  58.91501 14.62761 68.85635 16.16964 
-9.941338      21.80423 
1 1 1 -8  43 13 o 130.7771 7.291523 180.0897       19.31389  165.5009       
23.09099  214.0667       35.23913  124.0860 9.216815 137.9893 12.70079 
-13.90329      15.69266 
1 1 1 -8  43 14 o 51.53395 13.88216 31.75322       14.87426  47.82061       
20.21980  12.80404       21.95833  62.10970 15.93168 40.20255 16.58527 
21.90715       22.99760 
1 1 1 -8  43 15 o 90.86426 9.964518 91.68300       18.10990  113.8711       
29.33235  78.01521       23.02164  96.05939 15.54729 80.00479 14.69182 
16.05460       21.39083 
1 1 1 -8  43 16 o 42.12273 18.72079 13.41296       32.14599  0.000000       
0.000000  13.41296       32.14599  ?        ?        42.12273 18.72079 
0.000000       18.72079 
1 1 1 -8  43 17 o 37.38215 14.19714 16.64362       14.88878  16.99942       
21.61043  16.32213       20.54200  39.12134 16.32175 38.53839 15.98181 
0.5829468      22.84334 
1 1 1 -8  43 18 o 36.64749 14.16298 16.78791       14.98995  53.84666       
22.53335  -12.63078      20.07668  58.73150 17.53135 27.22626 12.99378 
31.50524       21.82170 
1 1 1 -8  44 1  o 32.88463 14.29242 0.7714095      17.80274  22.57416       
25.69229  -19.36550      24.69128  47.63276 18.50454 31.70537 14.91621 
15.92739       23.76786 
1 1 1 -8  44 2  o 41.72979 15.33579 17.61234       17.08444  11.26917       
22.99626  25.42594       25.52289  41.12010 16.96926 49.09380 18.60176 
-7.973705      25.17898 
1 1 1 -8  44 3  o 48.40098 15.36887 26.93678       16.99660  41.55526       
25.47710  15.21254       22.81610  58.32085 18.84799 42.94569 17.20127 
15.37516       25.51725 
1 1 1 -8  44 4  o 93.48887 10.17308 94.40590       19.02814  90.14476       
26.19875  99.16326       27.68220  88.36732 15.12303 92.69923 15.21285 
-4.331902      21.45080 
1 1 1 -8  44 5  o 60.20431 15.11205 42.51167       18.47306  62.94256       
26.87757  24.21932       25.43203  71.54668 18.37684 48.54228 18.52647 
23.00441       26.09480 
1 1 1 -8  44 6  o 47.42464 15.65903 25.51021       17.54380  45.41229       
24.95852  6.072794       24.66544  60.84114 18.51640 39.92156 17.08050 
20.91958       25.19128 
1 1 1 -8  44 7  o 34.14772 14.55419 3.422765       17.78489  31.76069       
29.05172  -13.56292      22.49206  53.21085 19.91367 31.62812 14.66502 
21.58273       24.73089 
1 1 1 -8  44 8  o 185.5668 3.867073 352.8081       14.59264  358.6529       
16.01573  324.2345       35.41149  186.9649 4.212456 173.8762 10.05800 
13.08867       10.90450 
1 1 1 -8  44 9  o 45.74838 10.24015 23.24537       9.288949  25.65738       
10.15311  10.85813       23.00894  47.96635 10.68306 40.86584 16.92793 
7.100510       20.01706 
1 1 1 -8  44 10 o 145.7763 4.703475 218.7000       13.94303  223.9146       
15.61909  198.2398       30.93855  147.3013 5.214321 134.5107 11.41866 
12.79065       12.55288 
1 1 1 -8  44 11 o 116.6298 6.282834 141.8915       14.84608  145.6313       
20.00727  137.3093       22.14636  116.9728 8.468364 112.7496 9.755198 
4.223236       12.91809 
1 1 1 -8  44 12 o 45.64566 14.59887 24.36433       15.31500  15.98814       
17.72277  49.06203       30.43242  40.33468 15.44858 60.67070 20.63207 
-20.33602      25.77481 
1 1 1 -8  44 13 o 24.08158 11.25756 -10.35242      13.68717  -2.843234      
18.54672  -19.33314      20.28272  31.30149 14.04351 27.57910 13.13395 
3.722385       19.22813 
1 1 1 -8  44 14 o 37.09237 13.94942 14.36692       14.28943  14.14406       
20.22127  14.58921       20.19536  39.38376 16.04241 39.59697 16.06888 
-0.2132072     22.70612 
1 1 1 -8  44 15 o 99.39601 9.126456 109.5235       18.24082  115.2354       
29.28031  105.9008       23.31859  94.91585 15.72019 94.54803 12.42947 
0.3678207      20.04036 
1 1 1 -8  44 16 o 60.45045 15.02868 48.78875       18.39542  35.74070       
21.76785  81.38685       34.40638  49.37260 17.41603 68.12572 21.89146 
-18.75312      27.97417 
1 1 1 -8  44 17 o 35.74186 14.06671 15.27801       15.00457  11.79000       
22.52680  18.05955       20.11652  36.13067 15.88103 38.23647 15.83263 
-2.105804      22.42497 
1 1 1 -8  45 1  o 68.18300 14.10126 54.11738       18.90637  44.90311       
25.37136  65.62337       28.35145  59.70100 18.75580 71.75175 19.09488 
-12.05074      26.76555 
1 1 1 -8  45 2  o 109.6632 9.677342 129.5836       21.35949  110.1006       
29.93249  149.7977       30.48895  96.73878 15.75816 115.2563 13.24946 
-18.51754      20.58805 
1 1 1 -8  45 3  o 67.43130 14.27753 52.93628       18.96817  66.25027       
27.20055  40.33293       26.46468  72.86566 18.36374 57.05223 19.24091 
15.81343       26.59774 
1 1 1 -8  45 4  o 84.92895 11.34068 79.60871       19.09672  50.28678       
28.40180  103.8028       25.79910  62.75283 19.86080 95.56142 13.66522 
-32.80859      24.10787 
1 1 1 -8  45 5  o 119.4095 8.535962 151.4776       20.59066  175.8119       
30.18227  130.2922       28.16179  126.2241 11.89910 107.6194 13.14116 
18.60461       17.72791 
1 1 1 -8  45 6  o 36.10817 15.05535 6.988907       18.37095  1.955641       
27.67219  10.95541       24.56532  39.83084 17.55144 41.55169 17.37442 
-1.720852      24.69663 
1 1 1 -8  45 7  o 83.66827 11.48175 77.51487       19.02018  105.5269       
30.07098  58.83487       24.55634  94.30999 16.26738 69.13912 17.46139 
25.17087       23.86478 
1 1 1 -8  45 8  f 62.06363 6.633280 40.57395       8.242107  40.09756       
8.764901  44.21375       24.22737  61.52752 7.137902 59.48322 18.26967 
2.044304       19.61455 
1 1 1 -8  45 9  o 107.6681 5.333790 119.8736       11.67817  122.5021       
12.87297  107.6533       27.75675  108.5087 5.855630 96.23529 14.64550 
12.27345       15.77273 
1 1 1 -8  45 10 o 61.52338 8.896708 41.10521       10.80743  41.07537       
11.91792  41.24331       25.63954  61.03699 9.944289 56.89661 18.93725 
4.140377       21.38944 
1 1 1 -8  45 11 o 26.81267 11.26336 2.636269       10.39803  9.259010       
12.21064  -14.83636      19.83348  32.86757 12.76016 28.52152 13.40240 
4.346050       18.50529 
1 1 1 -8  45 12 o 58.91661 15.11481 42.84560       18.19765  42.84560       
18.19765  0.000000       0.000000  58.91661 15.11481 ?        ?        
0.000000       15.11481 
1 1 1 -8  45 13 o 89.54752 9.664844 88.87429       17.32045  85.65664       
21.02995  95.65965       30.53902  85.69859 12.43012 84.71085 18.26561 
0.9877472      22.09390 
1 1 1 -8  45 14 o 55.67126 16.24951 41.57109       19.53943  36.68005       
25.58726  48.41323       30.26348  50.80398 18.75232 56.00695 20.43698 
-5.202972      27.73661 
1 1 1 -8  45 15 o 29.65018 13.44938 -1.382861      17.55618  -21.89963      
21.31835  41.85507       30.94792  26.55267 12.85346 50.59596 20.10989 
-24.04329      23.86669 
1 1 1 -8  45 16 o 53.57499 15.98133 41.99827       18.72964  28.23110       
22.22262  75.76039       34.80067  43.46599 17.11506 61.53882 21.98720 
-18.07283      27.86328 
1 1 1 -8  45 17 o 69.17986 14.22128 66.00220       19.33796  65.59640       
23.08793  66.95605       35.39700  64.28734 17.28611 54.03607 21.49751 
10.25127       27.58537 
1 1 1 -8  46 1  o 35.59593 15.09785 5.976978       18.97500  -47.23906      
26.64784  60.71236       27.02556  27.20967 13.41940 68.33794 18.83993 
-41.12827      23.13057 
1 1 1 -8  46 2  o 104.5681 9.755651 118.7477       20.50514  135.9018       
28.33006  99.87302       29.71692  109.3521 12.99435 90.53174 16.75901 
18.82031       21.20654 
1 1 1 -8  46 3  o 120.3853 8.791626 155.1897       21.37373  173.4081       
31.86819  140.2942       28.81581  123.8917 12.83543 111.2191 12.98537 
12.67260       18.25837 
1 1 1 -8  46 4  o 47.67567 15.87085 26.72505       18.00820  41.23650       
27.65409  16.04063       23.72900  56.87831 19.65742 43.01694 17.43156 
13.86137       26.27306 
1 1 1 -8  46 5  o 101.3293 9.824437 111.4846       19.98957  110.2571       
28.64181  112.6503       27.91138  96.89664 15.02214 98.51019 14.35505 
-1.613556      20.77817 
1 1 1 -8  46 6  o 62.78641 14.23378 46.54591       17.75424  44.93513       
26.38545  47.87863       24.00027  59.08783 19.18898 61.45265 18.02978 
-2.364819      26.33040 
1 1 1 -8  46 7  o 40.33225 15.42246 15.99309       17.64494  3.316799       
27.16246  25.24771       23.20878  39.48342 17.39418 47.44322 17.79026 
-7.959801      24.88073 
1 1 1 -8  46 8  o 67.11440 6.279096 47.36507       8.470080  51.63924       
8.906542  6.934115       27.39307  70.08649 6.317074 40.72849 17.71528 
29.35800       18.80789 
1 1 1 -8  46 9  o 93.08456 5.877670 90.54093       11.06874  84.75968       
12.09721  120.2698       27.43236  89.70018 6.679804 101.8938 13.57717 
-12.19358      15.13141 
1 1 1 -8  46 10 o 48.99063 11.06553 27.49979       10.76361  29.55608       
11.66801  15.75681       27.88327  50.58554 11.59119 43.65597 18.39710 
6.929565       21.74417 
1 1 1 -8  46 11 o 80.68241 8.347369 70.54719       13.49750  70.54719       
13.49750  0.000000       0.000000  80.68241 8.347369 ?        ?        
0.000000       8.347369 
1 1 1 -8  46 12 o 37.04367 13.29834 15.31175       12.74477  17.17566       
17.74390  13.32539       18.31743  39.81490 15.40297 37.83406 15.32098 
1.980839       21.72519 
1 1 1 -8  46 13 o 69.06361 9.788859 54.05786       13.36297  45.63676       
20.78635  59.98972       17.44573  57.71937 16.73495 70.56091 12.62167 
-12.84154      20.96104 
1 1 1 -8  46 14 o 50.84278 13.94680 33.80092       14.85364  56.86961       
27.08352  23.87736       17.76346  59.55547 19.44607 42.42847 15.63078 
17.12701       24.94937 
1 1 1 -8  46 15 o 60.18699 12.40669 45.94865       14.68007  56.08961       
22.03675  37.85792       19.68349  60.82876 17.10169 49.93350 16.59124 
10.89526       23.82723 
1 1 1 -8  46 16 o 76.64143 12.50095 76.11784       18.81138  81.69733       
22.53923  63.30943       34.14989  75.72407 15.16583 53.09484 21.11782 
22.62922       25.99932 
1 1 1 -8  47 1  o 37.60102 15.27719 11.69396       18.27911  -6.740704      
25.55899  30.99452       26.15236  34.72824 15.93216 49.98764 18.85629 
-15.25940      24.68589 
1 1 1 -8  47 2  f 40.31344 15.50795 16.55080       17.90761  28.06242       
24.21713  2.661572       26.60072  48.42902 18.17012 38.38535 17.04616 
10.04367       24.91435 
1 1 1 -8  47 3  o 44.52428 15.96602 22.88052       18.36604  -16.77337      
27.39944  55.23452       24.74929  33.42421 15.72110 65.12444 18.05838 
-31.70023      23.94280 
1 1 1 -8  47 4  o 47.58901 16.42400 27.26274       19.30149  19.02917       
28.88583  33.90438       25.94349  45.53715 18.92348 51.94154 18.92695 
-6.404392      26.76430 
1 1 1 -8  47 5  o 34.35788 14.84529 3.731358       18.98233  0.4080492      
27.38910  6.803136       26.33222  38.20233 17.10792 39.81273 17.34251 
-1.610394      24.36070 
1 1 1 -8  47 6  f 78.74416 12.74800 71.57699       19.71550  97.72419       
31.63782  54.97686       25.20865  87.01178 18.45258 64.72959 18.32372 
22.28219       26.00493 
1 1 1 -8  47 7  o 44.84328 15.97172 23.54660       18.34957  2.500899       
28.68318  38.12679       23.87410  39.35922 17.57512 54.19524 18.27495 
-14.83603      25.35465 
1 1 1 -8  47 8  o 26.65296 10.20437 5.954495       7.730742  7.084717       
8.087495  -6.015113      26.31917  27.99786 10.50117 35.33659 16.19507 
-7.338732      19.30168 
1 1 1 -8  47 9  o 22.32865 10.04713 -3.087294      9.570406  -5.195434      
10.25566  11.12518       26.62863  22.13099 10.13056 40.85994 17.61886 
-18.72894      20.32369 
1 1 1 -8  47 10 o 49.80167 11.26736 28.93739       11.14418  24.90695       
12.09634  51.55761       28.65667  45.54922 12.62281 59.58224 20.02225 
-14.03302      23.66909 
1 1 1 -8  47 11 o 73.48811 9.463324 60.40666       13.81345  60.40666       
13.81345  0.000000       0.000000  73.48811 9.463324 ?        ?        
0.000000       9.463324 
1 1 1 -8  47 12 o 18.49488 9.008737 -16.67822      10.91350  -27.76199      
15.57301  -5.981514      15.29868  20.79389 10.25586 26.50353 12.22026 
-5.709641      15.95360 
1 1 1 -8  47 13 o 21.51161 10.43316 -17.98197      14.21766  -61.05323      
33.16462  -8.283827      15.73713  27.56733 13.81489 25.71770 12.03788 
1.849636       18.32380 
1 1 1 -8  47 14 o 47.18587 15.76150 32.85717       17.75698  0.000000       
0.000000  32.85717       17.75698  ?        ?        47.18587 15.76150 
0.000000       15.76150 
1 1 1 -8  47 15 o 37.24088 14.48444 19.16457       15.75591  22.39453       
33.99771  18.28111       17.78062  39.60292 18.24461 36.80359 15.02315 
2.799332       23.63389 
1 1 1 -8  48 1  o 75.11803 14.31228 69.13383       21.06445  55.40216       
30.80599  81.19184       28.86765  60.80177 20.75792 77.00322 18.63620 
-16.20145      27.89622 
1 1 1 -8  48 2  o 73.67775 14.12716 65.92541       20.39601  82.10179       
30.60102  52.99496       27.35911  76.71790 19.55644 61.10327 19.50925 
15.61462       27.62364 
1 1 1 -8  48 3  o 32.00891 14.24242 -0.2150086     18.65798  12.50445       
27.98349  -10.39513      25.03481  41.73107 18.02784 33.00439 15.36026 
8.726685       23.68418 
1 1 1 -8  48 4  o 58.14026 15.79348 43.03761       19.15709  43.83260       
29.01299  42.42307       25.50853  55.85755 20.06319 55.67081 18.88957 
0.1867409      27.55626 
1 1 1 -8  48 5  o 84.33443 11.93444 81.92513       19.89572  115.1138       
30.59293  57.60061       26.19078  95.73306 16.29876 64.75235 18.78807 
30.98071       24.87249 
1 1 1 -8  48 6  o 27.65918 12.83882 -9.242883      17.30828  -44.45895      
26.04012  18.62924       23.16635  26.69302 13.18340 42.55659 17.23112 
-15.86357      21.69594 
1 1 1 -8  48 7  o 60.39678 15.78034 46.77084       19.59512  37.59938       
30.50317  53.21495       25.56865  52.22020 20.19728 61.83908 18.72382 
-9.618885      27.54109 
1 1 1 -8  48 8  o 59.41442 6.981005 37.94247       8.273774  33.57054       
8.644928  85.60310       28.54333  55.43280 7.891910 79.65601 18.04001 
-24.22321      19.69072 
1 1 1 -8  48 9  o 15.76091 7.781333 -18.28600      9.043481  -21.41297      
9.729323  1.576850       24.52119  15.88202 7.881977 35.63383 16.05361 
-19.75182      17.88418 
1 1 1 -8  48 10 f 17.65079 8.680631 -19.84502      10.89190  -19.84502      
10.89190  0.000000       0.000000  17.65079 8.680631 ?        ?        
0.000000       8.680631 
1 1 1 -8  48 11 f 24.03456 10.80264 -1.994759      11.02766  -0.8744194     
11.83385  -9.386944      30.39749  25.37548 11.31292 34.52674 16.33665 
-9.151260      19.87130 
1 1 1 -8  48 12 o 49.74552 12.03445 31.00625       12.04159  30.12011       
13.21540  35.34024       29.22628  48.12867 13.13578 46.79032 19.19864 
1.338356       23.26234 
1 1 1 -8  48 13 o 46.15760 13.51166 29.00997       13.49243  2.840342       
24.56523  40.31518       16.14586  33.43440 15.44014 53.69971 14.46247 
-20.26532      21.15563 
1 1 1 -8  48 14 o 29.64201 12.44770 8.142370       12.69276  2.195211       
20.39305  11.90311       16.21676  30.67943 14.13240 32.97908 13.97097 
-2.299656      19.87241 
1 1 1 -8  48 15 o 29.33575 12.49825 8.284415       13.10560  17.07738       
20.87664  2.565446       16.83650  35.23800 15.39319 28.48574 13.01716 
6.752262       20.15928 
1 1 1 -8  49 1  o 47.50026 16.76091 30.73643       20.16258  34.02989       
26.82575  26.46007       30.56767  48.73177 18.91477 45.66002 19.25308 
3.071743       26.98981 
1 1 1 -8  49 2  o 37.21279 15.48137 12.39111       19.36378  23.81160       
28.70187  2.850590       26.23336  44.74143 18.74974 36.58852 16.53289 
8.152908       24.99779 
1 1 1 -8  49 3  o 69.82352 14.61872 61.49918       20.09125  39.19630       
27.67328  86.35816       29.21608  51.85781 19.42996 78.44022 18.59861 
-26.58241      26.89669 
1 1 1 -8  49 4  o 115.0843 9.725626 148.1524       22.54755  165.3661       
33.70619  134.2109       30.33386  115.3032 14.71049 103.6924 14.80608 
11.61079       20.87148 
1 1 1 -8  49 5  o 43.14216 15.95407 23.09560       18.53788  23.34466       
26.41102  22.85376       26.02625  44.42507 18.24195 44.14286 18.11530 
0.2822151      25.70862 
1 1 1 -8  49 6  o 65.50997 14.90720 54.88182       19.41209  76.44274       
31.08436  41.09716       24.85456  70.85505 20.44205 53.32248 18.62408 
17.53257       27.65382 
1 1 1 -8  49 7  o 32.98211 14.57125 3.233949       19.19435  -9.910440      
27.58931  15.56426       26.72130  33.66758 15.81625 40.98550 17.66131 
-7.317924      23.70814 
1 1 1 -8  49 8  o 33.16967 10.46138 12.71203       7.885386  14.16752       
8.352178  0.7718121      23.92217  34.78962 10.73391 34.46623 15.65918 
0.3233833      18.98491 
1 1 1 -8  49 9  o 48.95490 11.00714 28.70312       10.69165  28.70312       
10.69165  0.000000       0.000000  48.95490 11.00714 ?        ?        
0.000000       11.00714 
1 1 1 -8  49 10 o 50.14923 12.12886 31.41827       12.23377  31.41827       
12.23377  0.000000       0.000000  50.14923 12.12886 ?        ?        
0.000000       12.12886 
1 1 1 -8  49 11 o 41.09884 12.39425 21.81790       11.22011  23.91970       
12.07008  8.451749       30.43810  42.70004 12.85020 37.27509 17.20438 
5.424942       21.47367 
1 1 1 -8  49 12 o 44.51615 12.35909 26.21950       11.58504  26.97260       
12.49353  21.59886       30.94617  44.60318 12.98625 39.69997 17.94611 
4.903210       22.15188 
1 1 1 -8  49 13 o 39.11758 13.07160 21.51813       12.21330  10.77998       
13.33558  77.38092       30.41647  31.23448 12.90863 60.70023 20.62674 
-29.46575      24.33300 
1 1 1 -8  49 14 o 19.62343 9.544551 -13.95497      12.12734  -12.27526      
19.47033  -15.01970      15.50155  25.44859 12.31045 22.20586 10.79837 
3.242731       16.37535 
1 1 1 -8  50 1  o 38.63038 17.30187 12.38320       28.02336  12.38320       
28.02336  0.000000       0.000000  38.63038 17.30187 ?        ?        
0.000000       17.30187 
1 1 1 -8  50 2  o 36.78291 15.37936 13.64285       19.24584  11.48453       
26.24180  16.15502       28.31131  38.16033 16.93924 40.27320 17.74933 
-2.112873      24.53521 
1 1 1 -8  50 3  o 42.56479 15.92299 24.05142       18.57086  20.33430       
25.97248  27.93974       26.56384  41.53773 17.64318 44.76948 18.32869 
-3.231743      25.44057 
1 1 1 -8  50 4  o 84.79340 12.37642 87.46437       20.71192  128.7263       
33.23444  61.26221       26.48389  95.49888 17.76739 62.84905 19.06189 
32.64983       26.05831 
1 1 1 -8  50 5  o 53.86305 16.32418 40.93837       19.42818  48.72837       
27.43720  33.10461       27.51414  54.90527 19.53297 47.11095 18.88238 
7.794319       27.16765 
1 1 1 -8  50 6  o 55.23064 16.34879 43.25330       19.65700  34.53422       
30.26289  49.61662       25.85337  47.35318 19.49524 55.88156 19.01655 
-8.528381      27.23405 
1 1 1 -8  50 7  o 64.74551 16.33169 58.98501       21.50038  75.24375       
33.06181  47.07051       28.30226  64.87715 21.50003 52.96223 19.68764 
11.91492       29.15226 
1 1 1 -8  50 8  o 73.39876 6.301666 58.09680       9.314586  58.09680       
9.314586  0.000000       0.000000  73.39876 6.301666 ?        ?        
0.000000       6.301666 
1 1 1 -8  50 9  o 89.20106 6.740306 86.70295       12.13622  86.70295       
12.13622  0.000000       0.000000  89.20106 6.740306 ?        ?        
0.000000       6.740306 
1 1 1 -8  50 10 o 26.24511 11.09140 4.490562       10.18127  12.32683       
10.87974  -50.72814      28.88065  32.26555 12.16432 25.64032 12.85532 
6.625231       17.69830 
1 1 1 -8  50 11 o 59.97427 9.255069 42.72933       10.92421  45.31131       
11.86705  28.39010       27.96593  61.20638 9.870159 40.81561 17.82326 
20.39077       20.37373 
1 1 1 -8  50 12 o 18.30148 8.891017 -12.91389      10.44073  -12.46634      
11.28583  -15.57101      27.49894  19.32323 9.353450 28.85023 14.10620 
-9.527002      16.92548 
1 1 1 -8  50 13 o 42.00716 12.76520 25.78899       11.86861  19.11168       
12.81717  65.95797       31.43669  35.81978 13.26201 50.10350 20.14757 
-14.28372      24.12065 
1 1 1 -8  51 1  o 44.27205 18.26357 33.80465       26.62625  33.80465       
26.62625  0.000000       0.000000  44.27205 18.26357 ?        ?        
0.000000       18.26357 
1 1 1 -8  51 2  o 46.56980 19.13743 38.96410       29.09562  38.96410       
29.09562  0.000000       0.000000  46.56980 19.13743 ?        ?        
0.000000       19.13743 
1 1 1 -8  51 3  o 31.98419 15.34052 -11.20610      28.74563  -11.20610      
28.74563  0.000000       0.000000  31.98419 15.34052 ?        ?        
0.000000       15.34052 
1 1 1 -8  51 4  o 33.21041 14.68751 7.349038       19.55198  17.01970       
30.46382  0.5752389      25.49602  39.44946 17.82177 33.45857 15.54811 
5.990883       23.65077 
1 1 1 -8  51 5  o 34.62806 15.00090 10.93792       19.48355  -1.594190      
30.32695  19.74585       25.42456  34.65456 16.37271 39.51683 17.12736 
-4.862263      23.69414 
1 1 1 -8  51 6  o 58.70232 16.62553 52.17662       20.74746  60.48664       
29.76480  44.32324       28.93545  56.48431 20.31797 49.09432 19.46651 
7.389988       28.13832 
1 1 1 -8  51 7  o 39.04762 17.41698 19.11062       28.08713  19.11062       
28.08713  0.000000       0.000000  39.04762 17.41698 ?        ?        
0.000000       17.41698 
1 1 1 -8  51 8  o 95.52940 5.160236 97.23187       9.987211  97.23187       
9.987211  0.000000       0.000000  95.52940 5.160236 ?        ?        
0.000000       5.160236 
1 1 1 -8  51 9  o 87.96137 6.697635 85.50574       11.89019  85.50574       
11.89019  0.000000       0.000000  87.96137 6.697635 ?        ?        
0.000000       6.697635 
1 1 1 -8  51 10 o 37.48743 11.92531 19.12632       10.22975  24.27372       
11.04798  -11.81377      27.08629  42.00018 12.20714 29.40984 14.29518 
12.59033       18.79804 
1 1 1 -8  51 11 o 31.93802 11.99588 13.58580       10.56090  8.637131       
11.30745  47.39346       29.55479  28.49542 11.84049 44.40121 18.83808 
-15.90579      22.25018 
1 1 1 -8  51 12 o 25.92761 11.24038 5.330723       10.95606  3.472129       
11.90031  15.66787       28.06507  25.47243 11.35124 33.74891 15.88522 
-8.276478      19.52411 
1 1 1 -8  52 1  o 17.41932 8.876076 -57.01290      17.64210  -59.57031      
27.33473  -55.18703      23.09668  23.06177 11.67784 21.20488 10.73721 
1.856894       15.86378 
1 1 1 -8  52 2  o 27.86027 13.58594 -16.46708      25.02167  -16.46708      
25.02167  0.000000       0.000000  27.86027 13.58594 ?        ?        
0.000000       13.58594 
1 1 1 -8  52 3  o 32.21726 15.40220 -1.958668      28.46239  -1.958668      
28.46239  0.000000       0.000000  32.21726 15.40220 ?        ?        
0.000000       15.40220 
1 1 1 -8  52 4  o 39.07149 17.69381 24.24203       30.23869  24.24203       
30.23869  0.000000       0.000000  39.07149 17.69381 ?        ?        
0.000000       17.69381 
1 1 1 -8  52 5  o 34.78156 16.48056 6.692689       31.14987  6.692689       
31.14987  0.000000       0.000000  34.78156 16.48056 ?        ?        
0.000000       16.48056 
1 1 1 -8  52 6  o 41.69360 18.47607 34.44236       31.09029  34.44236       
31.09029  0.000000       0.000000  41.69360 18.47607 ?        ?        
0.000000       18.47607 
1 1 1 -8  52 7  o 34.96058 16.52292 10.62107       30.93369  10.62107       
30.93369  0.000000       0.000000  34.96058 16.52292 ?        ?        
0.000000       16.52292 
1 1 1 -8  52 8  o 42.10197 9.195754 21.76991       7.652605  21.76991       
7.652605  0.000000       0.000000  42.10197 9.195754 ?        ?        
0.000000       9.195754 
1 1 1 -8  52 9  o 59.04955 8.541487 41.69817       9.958561  39.78162       
10.55334  57.27756       30.08885  56.71737 9.484972 47.44373 19.47484 
9.273640       21.66181 
1 1 1 -8  52 10 o 25.16198 11.21969 3.210292       11.64506  13.01142       
12.78422  -44.54965      28.22072  31.08054 12.71874 24.22612 12.21920 
6.854416       17.63733 
1 1 1 -8  52 11 o 33.64716 12.23332 16.92977       10.82945  14.15995       
11.60854  35.51190       30.06761  31.33334 12.35972 37.46460 17.22172 
-6.131260      21.19789 
1 1 1 -8  53 1  o 36.94334 15.24271 25.09058       18.55024  15.16802       
29.40624  31.64909       23.90729  33.24261 15.82647 38.33710 16.61224 
-5.094490      22.94436 
1 1 1 -8  53 2  o 31.58136 14.14721 12.10717       18.74464  29.85093       
29.85301  0.5584500      24.08421  37.26183 17.14021 29.53528 14.13304 
7.726557       22.21553 
1 1 1 -8  53 3  o 37.01846 16.75618 26.69240       27.08197  26.69240       
27.08197  0.000000       0.000000  37.01846 16.75618 ?        ?        
0.000000       16.75618 
1 1 1 -8  53 4  o 35.19380 16.60876 19.31979       31.04872  19.31979       
31.04872  0.000000       0.000000  35.19380 16.60876 ?        ?        
0.000000       16.60876 
1 1 1 -8  53 5  o 34.55079 16.38617 16.63289       30.93229  16.63289       
30.93229  0.000000       0.000000  34.55079 16.38617 ?        ?        
0.000000       16.38617 
1 1 1 -8  53 6  o 43.42789 19.10801 53.07104       32.68493  53.07104       
32.68493  0.000000       0.000000  43.42789 19.10801 ?        ?        
0.000000       19.10801 
1 1 1 -8  53 7  o 25.60687 12.45513 -10.97875      20.65496  -5.634966      
29.20215  -16.32866      29.21890  29.55989 14.47078 27.94181 13.83031 
1.618078       20.01702 
1 1 1 -8  53 8  o 25.17938 12.22062 -9.462095      19.59880  -3.605843      
32.85752  -12.69639      24.41825  30.22231 14.90443 26.57129 13.05358 
3.651016       19.81258 
1 1 1 -8  53 9  o 31.46999 11.26443 14.10478       9.138073  17.15990       
9.676532  -11.07723      27.78119  34.13249 11.63402 27.50271 13.58962 
6.629778       17.88933 
1 1 1 -8  53 10 o 38.15160 12.94678 23.92869       11.98299  24.33214       
13.41141  22.33161       26.68346  37.35395 13.60877 33.12523 15.55921 
4.228722       20.67094 
1 1 1 -8  54 1  o 38.16336 15.11145 30.72071       17.41459  13.49290       
26.49582  43.82291       23.10652  30.49850 14.65444 40.68655 16.91775 
-10.18805      22.38220 
1 1 1 -8  54 2  o 35.62239 14.92968 25.89005       18.20075  22.26668       
29.35049  28.15398       23.20018  32.76922 15.65900 35.05767 15.71930 
-2.288452      22.18785 
1 1 1 -8  54 3  o 21.01023 10.47101 -24.02022      17.91636  -28.91626      
28.52917  -20.83184      23.02245  25.04677 12.58768 24.06050 11.97139 
0.9862747      17.37136 
1 1 1 -8  54 4  o 36.53956 15.57994 28.63252       20.39510  53.63592       
32.42864  12.27083       26.23272  40.08761 18.22040 30.99982 14.81084 
9.087784       23.48071 
1 1 1 -8  54 5  o 25.07386 12.22623 -8.570864      20.25283  -17.56423      
31.35204  -2.130489      26.53140  27.19798 13.60047 28.23196 13.81487 
-1.033974      19.38616 
1 1 1 -8  54 6  o 42.23967 16.63633 41.66346       21.00170  47.39312       
31.39890  37.02489       28.25156  38.46930 17.65224 36.70090 16.80516 
1.768398       24.37242 
1 1 1 -8  54 7  o 30.55342 14.17740 13.99857       21.07922  0.5130069      
32.88192  23.40696       27.46505  29.29665 14.53105 32.95705 15.57388 
-3.660402      21.30017 
1 1 1 -8  54 8  o 29.02174 13.60091 10.28026       20.19359  6.741479       
30.51452  13.03757       26.93531  29.48755 14.50725 30.27746 14.60537 
-0.7899094     20.58585 
1 1 1 -8  55 2  o 24.71014 11.87247 0.5534177      17.38538  -46.00855      
28.19433  29.11911       22.08353  22.04322 11.23121 33.14277 15.05306 
-11.09955      18.78123 
1 1 1 -8  55 3  o 25.65633 12.33609 2.065491       18.84936  -35.79244      
30.08338  26.53444       24.18555  23.59053 11.97784 32.14024 15.00459 
-8.549707      19.19912 
1 1 1 -8  55 4  o 33.65051 14.58500 25.92508       18.43734  33.23204       
29.04093  20.99124       23.86353  32.93493 15.69317 30.87284 14.56688 
2.062080       21.41190 
1 1 1 -8  55 5  o 28.63345 13.43267 12.44280       19.78326  75.34290       
32.51404  -24.53257      24.92881  41.74411 18.67080 23.22324 11.68411 
18.52087       22.02537 
1 1 1 -8  55 6  o 28.04204 13.19888 10.89363       19.37428  24.69802       
28.74826  -0.5930901     26.22412  31.07314 15.01371 26.66095 13.17925 
4.412184       19.97760 
1 1 1 -7  0  1  o 472.3590 6.536798 2271.654       62.76265  2271.654       
62.76265  2271.654       62.76265  472.3590 6.536798 472.3590 6.536798 
-0.000000      0.000000 
1 1 1 -7  0  2  f 443.4521 6.279624 2002.138       56.60249  2002.138       
56.60249  2002.138       56.60249  443.4521 6.279624 443.4521 6.279624 
-0.000000      0.000000 
1 1 1 -7  0  3  o 233.4206 4.865287 554.9556       23.07135  554.9556       
23.07135  554.9556       23.07135  233.4206 4.865287 233.4206 4.865287 
-0.000000      0.000000 
1 1 1 -7  0  4  o 121.1241 5.248692 150.0857       12.87282  150.0857       
12.87282  150.0857       12.87282  121.1241 5.248692 121.1241 5.248692 
-0.000000      0.000000 
1 1 1 -7  0  5  f 174.9062 4.919846 311.9273       17.46748  311.9273       
17.46748  311.9273       17.46748  174.9062 4.919846 174.9062 4.919846 
-0.000000      0.000000 
1 1 1 -7  0  6  o 226.7583 5.037673 523.8171       23.20387  523.8171       
23.20387  523.8171       23.20387  226.7583 5.037673 226.7583 5.037673 
-0.000000      0.000000 
1 1 1 -7  0  7  f 170.3076 7.403915 296.8337       25.53144  296.8337       
25.53144  296.8337       25.53144  170.3076 7.403915 170.3076 7.403915 
0.000000       0.000000 
1 1 1 -7  0  8  o 351.9815 5.747381 1261.269       41.11309  1261.269       
41.11309  1261.269       41.11309  351.9815 5.747381 351.9815 5.747381 
-0.000000      0.000000 
1 1 1 -7  0  9  o 237.0459 5.373795 572.4106       25.87383  572.4106       
25.87383  572.4106       25.87383  237.0459 5.373795 237.0459 5.373795 
-0.000000      0.000000 
1 1 1 -7  0  10 o 480.1020 6.860230 2346.219       66.94586  2346.219       
66.94586  2346.219       66.94586  480.1020 6.860230 480.1020 6.860230 
-0.000000      0.000000 
1 1 1 -7  0  11 o 777.1828 9.739921 6150.034       153.8779  6150.034       
153.8779  6150.034       153.8779  777.1828 9.739921 777.1828 9.739921 
0.000000       0.000000 
1 1 1 -7  0  12 f 146.4992 7.073543 219.8553       20.96087  219.8553       
20.96087  219.8553       20.96087  146.4992 7.073543 146.4992 7.073543 
-0.000000      0.000000 
1 1 1 -7  0  13 o 297.4334 8.904987 902.8368       53.75174  902.8368       
53.75174  902.8368       53.75174  297.4334 8.904987 297.4334 8.904987 
-0.000000      0.000000 
1 1 1 -7  0  14 o 39.79100 19.75994 23.82697       19.33046  23.82697       
19.33046  23.82697       19.33046  39.79100 19.75994 39.79100 19.75994 
-0.000000      0.000000 
1 1 1 -7  0  15 o 191.5710 9.996983 377.0632       38.70270  377.0632       
38.70270  377.0632       38.70270  191.5710 9.996983 191.5710 9.996983 
-0.000000      0.000000 
1 1 1 -7  0  16 o 62.76892 18.09442 49.18074       20.03316  49.18074       
20.03316  49.18074       20.03316  62.76892 18.09442 62.76892 18.09442 
0.000000       0.000000 
1 1 1 -7  0  17 o 282.5335 6.738997 814.7214       38.66859  814.7214       
38.66859  814.7214       38.66859  282.5335 6.738997 282.5335 6.738997 
-0.000000      0.000000 
1 1 1 -7  0  18 o 47.83332 20.43846 33.68230       20.27919  33.68230       
20.27919  33.68230       20.27919  47.83332 20.43846 47.83332 20.43846 
0.000000       0.000000 
1 1 1 -7  0  19 o 107.0083 10.79003 120.9132       22.93224  120.9132       
22.93224  120.9132       22.93224  107.0083 10.79003 107.0083 10.79003 
0.000000       0.000000 
1 1 1 -7  0  20 o 234.5261 7.373034 563.7224       35.08454  563.7224       
35.08454  563.7224       35.08454  234.5261 7.373034 234.5261 7.373034 
-0.000000      0.000000 
1 1 1 -7  0  21 o 361.2052 10.16750 1345.458       74.54883  1345.458       
74.54883  1345.458       74.54883  361.2052 10.16750 361.2052 10.16750 
0.000000       0.000000 
1 1 1 -7  0  22 o 130.7565 10.91539 180.1836       28.55843  180.1836       
28.55843  180.1836       28.55843  130.7565 10.91539 130.7565 10.91539 
-0.000000      0.000000 
1 1 1 -7  0  23 o 59.81902 22.74088 52.14460       26.00926  52.14460       
26.00926  52.14460       26.00926  59.81902 22.74088 59.81902 22.74088 
0.000000       0.000000 
1 1 1 -7  0  24 o 90.18968 16.37466 94.83133       27.09713  94.83133       
27.09713  94.83133       27.09713  90.18968 16.37466 90.18968 16.37466 
-0.000000      0.000000 
1 1 1 -7  0  25 o 36.02247 23.25787 13.51915       39.71366  13.51915       
39.71366  13.51915       39.71366  36.02247 23.25787 36.02247 23.25787 
0.000000       0.000000 
1 1 1 -7  0  26 o 123.6648 17.55227 189.3721       41.57177  189.3721       
41.57177  189.3721       41.57177  123.6648 17.55227 123.6648 17.55227 
-0.000000      0.000000 
1 1 1 -7  1  1  o 260.7150 3.507649 691.4202       18.59660  695.2138       
26.36632  687.6649       26.23331  261.3725 4.960645 259.9495 4.962640 
1.423004       7.016822 
1 1 1 -7  1  2  o 152.0188 3.456635 235.0767       10.68568  212.7535       
14.91769  258.6011       15.31376  144.5836 5.073775 159.4130 4.723966 
-14.82936      6.932463 
1 1 1 -7  1  3  o 312.0679 5.248707 991.2220       33.30833  0.000000       
0.000000  991.2220       33.30833  ?        ?        312.0679 5.248707 
0.000000       5.248707 
1 1 1 -7  1  4  o 154.5169 3.454227 242.8663       10.85371  224.2245       
15.09896  262.7986       15.61286  148.4319 5.002282 160.6998 4.777668 
-12.26781      6.917293 
1 1 1 -7  1  5  o 280.4172 3.608842 799.9007       20.57898  816.3010       
29.44005  784.2303       28.77742  283.2099 5.111855 277.5916 5.097934 
5.618378       7.219418 
1 1 1 -7  1  6  o 558.4015 6.036058 3174.279       68.54115  3250.317       
120.8286  3138.202       83.22756  564.3469 10.52864 555.0525 7.373636 
9.294373       12.85390 
1 1 1 -7  1  7  o 158.7427 4.372240 256.3661       14.11397  239.1170       
17.21731  291.7054       24.64396  153.2829 5.523574 169.2483 7.160361 
-15.96536      9.043265 
1 1 1 -7  1  8  f 344.0002 4.028001 1203.710       28.17732  1171.252       
39.31323  1237.999       40.40677  339.2590 5.698439 348.7919 5.696870 
-9.532898      8.057700 
1 1 1 -7  1  9  o 339.1899 4.066720 1170.219       28.05038  1127.476       
38.89228  1216.556       40.49467  332.8768 5.745507 345.7764 5.759054 
-12.89954      8.134959 
1 1 1 -7  1  10 o 384.2931 4.331904 1502.095       33.85266  1484.759       
47.59369  1519.847       48.16112  382.0026 6.126770 386.4899 6.127834 
-4.487305      8.665314 
1 1 1 -7  1  11 o 139.5448 4.707335 198.0664       13.35796  205.8825       
19.04131  190.4923       18.74422  142.2462 6.582708 136.8239 6.736803 
5.422256       9.418947 
1 1 1 -7  1  12 o 207.9236 4.326270 439.7139       18.29232  430.9444       
25.79355  448.5872       25.94561  205.8053 6.163155 209.9778 6.076298 
-4.172485      8.654819 
1 1 1 -7  1  13 o 298.9995 5.052609 909.4725       30.72116  900.2239       
37.43619  928.5445       53.75872  297.4364 6.189366 301.9602 8.754831 
-4.523865      10.72172 
1 1 1 -7  1  14 o 305.2023 4.500392 947.5972       27.93120  959.4661       
39.75047  936.0220       39.25555  307.0276 6.366686 303.2534 6.365669 
3.774200       9.003135 
1 1 1 -7  1  15 o 113.9038 9.475642 133.2275       21.74898  151.0086       
31.10796  116.2252       30.41901  120.8565 12.85489 105.5619 14.55788 
15.29464       19.42112 
1 1 1 -7  1  16 o 238.2597 4.723071 577.7869       22.88372  520.7418       
31.41116  642.3068       33.40578  226.0659 6.832780 251.0926 6.542390 
-25.02664      9.459902 
1 1 1 -7  1  17 o 300.5653 4.592333 919.6932       28.06878  939.2479       
40.23739  901.1581       39.17446  303.5511 6.518483 297.3369 6.478922 
6.214203       9.190596 
1 1 1 -7  1  18 o 189.9283 5.102464 367.4723       19.70702  373.5845       
27.96477  361.4422       27.77605  191.3229 7.187748 188.1810 7.258439 
3.141876       10.21512 
1 1 1 -7  1  19 o 402.3304 5.000760 1649.337       40.91385  1611.139       
57.20443  1689.340       58.54055  397.2210 7.081839 406.7479 7.077504 
-9.526886      10.01217 
1 1 1 -7  1  20 o 277.1849 4.930394 783.0615       27.79090  755.1459       
38.78378  812.5215       39.84213  271.8680 7.015210 282.0201 6.947218 
-10.15219      9.873044 
1 1 1 -7  1  21 o 157.4451 8.849189 255.0525       28.21755  298.5130       
41.59636  218.0036       38.40564  169.5268 12.14656 144.4417 13.22198 
25.08510       17.95438 
1 1 1 -7  1  22 o 166.2466 6.255570 282.3727       21.14808  316.3384       
30.11478  249.3244       29.70523  175.6162 8.432640 155.4616 9.441028 
20.15460       12.65869 
1 1 1 -7  1  23 o 215.8920 5.625843 476.0506       24.69878  470.1252       
34.71181  482.1268       35.15103  214.0587 7.974307 216.7738 7.974063 
-2.715118      11.27720 
1 1 1 -7  1  24 o 58.96048 14.89416 38.18769       17.86354  32.32099       
25.65001  43.71309       24.89272  55.88907 18.94199 62.85420 18.33940 
-6.965130      26.36537 
1 1 1 -7  1  25 o 111.5242 14.00270 134.7280       31.05636  151.9100       
44.74981  118.7635       43.13533  115.2465 19.80864 100.4871 21.74086 
14.75938       29.41169 
1 1 1 -7  1  26 o 62.70644 17.30808 45.93375       22.79354  84.47720       
40.55243  28.13297       27.55885  81.67942 23.28205 52.34078 19.43314 
29.33864       30.32657 
1 1 1 -7  2  1  o 485.1088 5.422522 2395.233       53.49238  2369.724       
91.75131  2408.369       65.83990  482.0269 9.360295 486.3100 6.657706 
-4.283051      11.48652 
1 1 1 -7  2  2  o 293.8910 4.211345 878.7806       25.16857  793.6700       
41.80381  927.1730       31.52187  279.1074 7.365344 301.8260 5.135750 
-22.71857      8.979099 
1 1 1 -7  2  3  o 220.2681 3.936961 493.6037       17.63454  487.6045       
30.54202  496.6039       21.59849  218.7952 6.864492 220.9048 4.808026 
-2.109619      8.380834 
1 1 1 -7  2  4  o 342.1349 4.482649 1191.083       31.18771  1241.586       
55.57682  1167.870       37.67976  349.0443 7.830000 338.7222 5.470324 
10.32205       9.551615 
1 1 1 -7  2  5  o 181.0771 3.474576 333.5319       12.79431  331.9746       
18.20872  335.0506       17.98119  180.6131 4.957682 181.4507 4.873133 
-0.8375397     6.951693 
1 1 1 -7  2  6  o 163.3455 4.090756 271.4420       13.58820  245.7920       
22.80167  285.5676       16.92104  155.3451 7.218014 167.5197 4.967178 
-12.17458      8.761996 
1 1 1 -7  2  7  o 309.6671 4.421374 975.5889       27.84221  958.2395       
33.78330  1012.323       49.15782  306.8563 5.413967 315.2573 7.667893 
-8.401031      9.386566 
1 1 1 -7  2  8  o 231.2623 3.720613 543.9841       17.49729  521.4712       
24.35030  568.0179       25.15933  226.3849 5.289387 236.2743 5.236381 
-9.889374      7.442936 
1 1 1 -7  2  9  o 345.1489 4.097904 1211.701       28.76204  1190.234       
40.33035  1233.919       41.03002  342.0143 5.798775 348.2344 5.794002 
-6.220093      8.197331 
1 1 1 -7  2  10 o 782.8549 6.899743 6236.846       109.8413  6368.701       
158.1878  6114.079       152.6388  790.7289 9.837709 774.7819 9.688000 
15.94708       13.80717 
1 1 1 -7  2  11 o 937.8199 8.067078 8952.339       153.8463  8799.403       
214.1908  9115.324       221.1176  929.2790 11.33453 945.7842 11.49687 
-16.50519      16.14465 
1 1 1 -7  2  12 o 666.3270 6.144783 4517.339       83.26173  4560.210       
118.7913  4475.938       116.7354  669.2570 8.728511 663.0514 8.657730 
6.205566       12.29403 
1 1 1 -7  2  13 o 313.9791 5.116935 1002.900       32.67097  988.9177       
39.71979  1032.148       57.44724  311.7406 6.265593 318.3519 8.873814 
-6.611298      10.86288 
1 1 1 -7  2  14 o 620.3418 5.933782 3916.344       74.85383  3833.644       
104.1763  4004.612       107.6266  613.4822 8.350560 627.0002 8.441127 
-13.51807      11.87369 
1 1 1 -7  2  15 o 325.9263 6.440432 1081.635       42.68603  1025.989       
59.34903  1141.270       61.43957  317.1961 9.200983 334.5599 9.030730 
-17.36374      12.89233 
1 1 1 -7  2  16 o 240.9217 4.724421 590.7751       23.14600  574.8854       
32.65328  606.8215       32.81408  237.5312 6.760126 244.0508 6.611935 
-6.519684      9.456055 
1 1 1 -7  2  17 o 30.44800 12.94163 0.1902728      13.99193  18.10978       
19.85058  -17.50355      19.72518  45.81987 16.57730 29.41253 13.67053 
16.40734       21.48698 
1 1 1 -7  2  18 o 149.1164 5.832547 226.6492       17.68622  225.1857       
24.88518  228.1430       25.14098  148.2182 8.289568 149.1864 8.320213 
-0.9682312     11.74491 
1 1 1 -7  2  19 o 204.5623 5.203580 426.4571       21.64608  382.0764       
29.79066  476.0947       31.50564  193.3763 7.575748 215.9154 7.175518 
-22.53915      10.43456 
1 1 1 -7  2  20 o 135.3586 6.665868 187.1077       18.34822  189.3274       
26.11071  184.9424       25.78887  135.5248 9.535082 133.9396 9.530482 
1.585205       13.48139 
1 1 1 -7  2  21 o 372.9388 7.162429 1422.366       54.31870  1448.786       
77.67262  1397.078       75.99146  375.2838 10.17787 368.5419 10.13973 
6.741913       14.36674 
1 1 1 -7  2  22 o 86.64606 10.72993 78.54848       18.50156  89.02217       
25.99402  67.79436       26.33971  91.35950 14.47408 78.86199 16.93048 
12.49751       22.27421 
1 1 1 -7  2  23 o 35.75588 14.76068 4.503408       17.40849  -45.76097      
24.00278  60.28567       25.28596  26.69162 13.07785 74.06686 17.12954 
-47.37524      21.55114 
1 1 1 -7  2  24 o 46.25791 17.92973 16.17414       24.07862  16.17414       
24.07862  0.000000       0.000000  46.25791 17.92973 ?        ?        
0.000000       17.92973 
1 1 1 -7  2  25 o 66.61877 19.53678 51.04546       28.18559  46.94790       
40.14672  55.02818       39.58022  65.57722 23.59600 69.21457 23.52959 
-3.637344      33.32286 
1 1 1 -7  2  26 o 92.66364 12.93614 94.17059       23.71144  140.0939       
42.17504  72.94616       28.67194  108.6233 19.82376 78.62112 18.27982 
30.00219       26.96541 
1 1 1 -7  3  1  o 125.0210 4.202396 159.0209       10.68394  155.9107       
18.19093  160.6586       13.20059  123.5033 7.275244 125.6435 5.166567 
-2.140228      8.923149 
1 1 1 -7  3  2  f 383.6889 5.761091 1498.686       44.95059  0.000000       
0.000000  1498.686       44.95059  ?        ?        383.6889 5.761091 
0.000000       5.761091 
1 1 1 -7  3  3  o 319.6327 4.349415 1039.518       28.27050  1109.530       
51.18970  1008.793       33.91108  329.9784 7.628616 314.8197 5.296979 
15.15869       9.287291 
1 1 1 -7  3  4  o 294.8780 4.245874 884.7014       25.46014  853.4348       
44.01623  900.4224       31.21130  289.4169 7.478897 297.4389 5.160154 
-8.022034      9.086313 
1 1 1 -7  3  5  f 286.1209 4.230933 832.9072       24.61712  840.9926       
43.39209  829.0698       29.89333  287.3165 7.426745 285.4174 5.150417 
1.899139       9.037884 
1 1 1 -7  3  6  o 904.2587 8.930672 8335.716       164.2208  8229.277       
280.7458  8391.077       202.4736  896.1570 15.40557 906.6502 10.98189 
-10.49316      18.91913 
1 1 1 -7  3  7  o 297.5668 3.814955 900.6954       23.08476  905.9374       
32.60119  895.4241       32.69256  298.3681 5.373159 296.6296 5.419797 
1.738495       7.631844 
1 1 1 -7  3  8  o 437.5095 4.523134 1947.261       40.24189  1947.900       
56.95315  1946.624       56.86820  437.4662 6.402090 437.3235 6.394629 
0.1427612      9.048648 
1 1 1 -7  3  9  o 278.9738 3.870650 791.5719       21.95830  810.8397       
31.26592  772.8184       30.84579  282.3035 5.446326 275.6033 5.503767 
6.700165       7.742991 
1 1 1 -7  3  10 f 320.0289 4.082942 1041.676       26.57137  1051.181       
37.70200  1032.296       37.45440  321.4366 5.767899 318.5358 5.782201 
2.900848       8.167160 
1 1 1 -7  3  11 o 570.3835 5.461116 3309.589       63.34316  3392.938       
91.33452  3232.349       87.92429  577.3714 7.779080 563.5500 7.672289 
13.82135       10.92603 
1 1 1 -7  3  12 o 165.2855 4.657608 277.8799       15.65486  283.3302       
22.22370  272.5116       22.05588  166.8675 6.549276 163.6491 6.627646 
3.218323       9.317656 
1 1 1 -7  3  13 o 514.0527 6.057452 2688.870       63.32119  2595.272       
75.46950  2911.450       116.3811  504.9352 7.349951 534.4708 10.70797 
-29.53561      12.98778 
1 1 1 -7  3  14 o 233.5659 4.611227 554.9876       21.90167  536.5955       
30.64656  574.1863       31.31143  229.5972 6.563927 237.5065 6.482998 
-7.909317      9.225747 
1 1 1 -7  3  15 o 393.6837 5.538664 1577.547       44.34083  1536.069       
53.65293  1666.914       78.75431  388.3687 6.793566 404.2496 9.580172 
-15.88089      11.74446 
1 1 1 -7  3  16 o 65.11083 11.63908 44.66981       14.84512  48.84411       
20.45747  40.02679       21.57547  67.62719 15.24073 61.36549 16.79875 
6.261696       22.68211 
1 1 1 -7  3  17 o 131.1094 6.232183 175.1890       16.61596  190.6403       
23.22833  158.9973       23.77835  136.3812 8.416656 124.3581 9.474057 
12.02308       12.67272 
1 1 1 -7  3  18 o 186.0213 5.263389 352.5623       19.91039  325.5201       
28.28170  379.1347       28.03499  178.5278 7.790193 192.7374 7.152914 
-14.20961      10.57598 
1 1 1 -7  3  19 o 157.1463 5.719367 251.7965       18.27695  266.7843       
25.88657  236.8989       25.80862  161.5523 7.879702 151.9548 8.384609 
9.597534       11.50615 
1 1 1 -7  3  20 o 126.6949 7.120965 164.5399       18.27194  156.7547       
26.52135  171.5738       25.20940  123.0165 10.70865 128.9488 9.684505 
-5.932335      14.43831 
1 1 1 -7  3  21 o 199.1085 7.950426 405.9900       32.19079  413.9316       
45.89846  398.3020       45.15984  200.0050 11.33168 196.1695 11.36935 
3.835510       16.05208 
1 1 1 -7  3  22 o 38.87193 15.14659 10.11345       17.25377  42.24507       
24.47516  -21.62917      24.32656  62.47084 18.17273 32.35074 15.08453 
30.12009       23.61761 
1 1 1 -7  3  23 o 90.08032 10.30769 84.80866       18.54186  90.03592       
25.97941  79.38137       26.47181  91.73193 14.40134 85.60406 15.78849 
6.127861       21.36995 
1 1 1 -7  3  24 o 24.13991 11.67893 -27.54488      17.53835  -16.25449      
26.74971  -36.05775      23.22750  35.60112 16.32024 27.74066 13.42565 
7.860464       21.13288 
1 1 1 -7  3  25 o 95.23999 15.59436 100.2690       29.15661  87.96644       
41.02889  112.8204       41.44155  85.50999 23.06503 97.99001 21.39678 
-12.48003      31.46137 
1 1 1 -7  3  26 o 71.60114 16.18424 59.12488       23.01083  36.31780       
38.48832  71.81205       28.70625  58.88974 22.71246 77.88262 18.41508 
-18.99288      29.23989 
1 1 1 -7  4  1  o 355.5284 5.549215 1286.548       40.11966  0.000000       
0.000000  1286.548       40.11966  ?        ?        355.5284 5.549215 
0.000000       5.549215 
1 1 1 -7  4  2  o 385.3002 5.772706 1511.269       45.23037  0.000000       
0.000000  1511.269       45.23037  ?        ?        385.3002 5.772706 
0.000000       5.772706 
1 1 1 -7  4  3  o 450.9146 6.337905 2070.415       58.11543  0.000000       
0.000000  2070.415       58.11543  ?        ?        450.9146 6.337905 
0.000000       6.337905 
1 1 1 -7  4  4  o 497.4291 6.766449 2520.077       68.44527  0.000000       
0.000000  2520.077       68.44527  ?        ?        497.4291 6.766449 
0.000000       6.766449 
1 1 1 -7  4  5  o 103.5034 5.777977 109.3925       12.11282  0.000000       
0.000000  109.3925       12.11282  ?        ?        103.5034 5.777977 
0.000000       5.777977 
1 1 1 -7  4  6  o 159.2898 3.626661 258.0970       11.74753  226.5261       
16.24717  292.6851       17.00581  149.1923 5.355253 169.5971 4.930915 
-20.40479      7.279606 
1 1 1 -7  4  7  o 215.4021 3.611660 471.9402       15.82006  461.4613       
22.26358  482.6277       22.48393  212.9556 5.141082 217.7869 5.076790 
-4.831268      7.225270 
1 1 1 -7  4  8  o 467.1081 5.424483 2220.132       51.52609  2219.520       
63.05299  2221.363       89.39722  466.9573 6.640137 466.8888 9.415841 
0.6848145E-01  11.52170 
1 1 1 -7  4  9  o 471.2912 4.759071 2259.497       45.61030  2213.238       
63.59043  2308.510       65.45541  466.3299 6.705746 476.2575 6.758532 
-9.927612      9.520755 
1 1 1 -7  4  10 o 459.6460 4.735519 2149.047       44.26317  2074.658       
60.94013  2232.118       64.39806  451.5317 6.636877 468.3460 6.761679 
-16.81436      9.474621 
1 1 1 -7  4  11 o 152.1458 4.577783 235.4485       14.16337  214.3965       
19.64793  258.2217       20.43533  145.1560 6.656263 159.3085 6.307993 
-14.15257      9.170421 
1 1 1 -7  4  12 o 312.6384 4.243230 994.1356       26.97679  1003.664       
38.31967  984.7733       37.98443  314.0827 5.999656 311.1127 6.003942 
2.969971       8.487826 
1 1 1 -7  4  13 o 376.8189 5.308575 1444.599       40.67823  1508.861       
50.85857  1330.489       67.77150  385.0517 6.495217 361.4117 9.221329 
23.63998       11.27922 
1 1 1 -7  4  14 o 293.4080 4.502374 875.7936       26.86365  859.5104       
37.66254  892.6573       38.32807  290.5883 6.373529 296.1390 6.364583 
-5.550690      9.007208 
1 1 1 -7  4  15 o 305.1119 5.258714 947.4771       32.62797  915.0047       
39.55718  1016.591       57.70980  299.7605 6.489325 315.7449 8.987975 
-15.98438      11.08580 
1 1 1 -7  4  16 o 449.8367 5.052921 2059.971       46.22201  2008.587       
64.27151  2115.018       66.52215  443.9242 7.119643 455.5241 7.181306 
-11.59991      10.11239 
1 1 1 -7  4  17 o 307.7397 4.645263 964.1904       29.07001  963.5916       
40.81827  964.8066       41.41053  307.4460 6.528815 307.6285 6.619616 
-0.1825562     9.297566 
1 1 1 -7  4  18 o 137.3508 5.951022 192.3239       16.62165  224.8776       
24.46767  164.4262       22.65049  148.1280 8.154174 126.4911 8.861715 
21.63687       12.04245 
1 1 1 -7  4  19 o 371.4378 4.903828 1405.723       37.04015  1384.422       
51.70858  1428.171       53.08385  368.2360 6.905339 373.9923 6.979886 
-5.756317      9.818479 
1 1 1 -7  4  20 o 48.39817 15.88639 23.54097       18.06676  40.82000       
31.68160  15.21397       21.99337  63.26160 21.05040 45.12966 17.22745 
18.13194       27.20118 
1 1 1 -7  4  21 o 225.5857 7.383140 520.6614       33.86913  495.1461       
46.64480  549.1162       49.25836  219.3028 10.45942 230.9375 10.48900 
-11.63467      14.81278 
1 1 1 -7  4  22 o 218.7332 5.557213 488.3516       24.71856  510.7387       
35.26814  466.7367       34.65457  223.2794 7.767521 213.3989 7.985773 
9.880508       11.14033 
1 1 1 -7  4  23 o 154.0408 6.965887 242.9766       21.82044  224.1968       
30.55692  262.5172       31.16973  147.0160 10.28581 159.3160 9.666755 
-12.30005      14.11538 
1 1 1 -7  4  24 o 47.08121 15.84354 22.49407       17.94363  23.20857       
25.51330  21.79474       25.24114  50.63739 18.71836 49.76074 18.57372 
0.8766518      26.36968 
1 1 1 -7  4  25 o 109.3278 14.42997 130.2300       31.29701  156.7257       
44.96869  105.3397       43.58505  117.0675 19.58118 93.56905 23.05564 
23.49848       30.24872 
1 1 1 -7  4  26 o 45.97407 17.20388 20.29885       21.68221  -2.792869      
36.83194  32.54494       26.82226  44.75068 19.95401 54.41245 19.31762 
-9.661770      27.77288 
1 1 1 -7  5  1  o 77.21593 5.618472 61.00777       8.761700  53.83204       
16.03227  64.06359       10.46227  71.73829 11.36896 79.04820 6.568006 
-7.309914      13.12981 
1 1 1 -7  5  2  o 39.73201 8.986158 16.73814       7.090460  -1.658335      
11.40843  28.31681       9.050817  26.51621 11.48282 51.97777 8.881875 
-25.46156      14.51698 
1 1 1 -7  5  3  o 275.0246 4.075293 769.5298       22.79196  749.7383       
38.43463  780.2645       28.30603  271.3082 6.966398 276.8928 5.027081 
-5.584595      8.590824 
1 1 1 -7  5  4  o 424.3684 4.977520 1832.706       42.95439  1781.358       
72.54301  1860.429       53.30337  418.0219 8.533851 427.4679 6.131966 
-9.445953      10.50845 
1 1 1 -7  5  5  o 101.9029 5.843105 106.0538       12.05770  0.000000       
0.000000  106.0538       12.05770  ?        ?        101.9029 5.843105 
0.000000       5.843105 
1 1 1 -7  5  6  o 392.0370 4.198312 1563.580       33.46980  1484.279       
45.72927  1655.075       49.11922  381.8620 5.888930 403.2267 5.990331 
-21.36462      8.400212 
1 1 1 -7  5  7  o 488.8091 4.793879 2431.010       47.65163  2461.966       
68.06170  2401.249       66.73698  491.7464 6.806286 485.6494 6.757596 
6.096954       9.591175 
1 1 1 -7  5  8  o 449.6617 5.301485 2057.291       48.47691  2012.811       
58.43344  2155.488       86.82253  444.6992 6.461655 459.9377 9.282863 
-15.23856      11.31037 
1 1 1 -7  5  9  o 694.1861 6.239973 4903.773       88.08663  5063.262       
128.0538  4760.519       121.3620  705.0806 8.931047 683.7023 8.728992 
21.37830       12.48835 
1 1 1 -7  5  10 o 122.1417 4.833962 151.7516       12.00656  157.4282       
16.78119  145.7980       17.18571  124.2027 6.668554 119.4814 7.105228 
4.721352       9.744429 
1 1 1 -7  5  11 o 840.1793 7.340027 7183.967       125.4068  7207.729       
177.8346  7160.459       176.8733  841.1791 10.39624 838.4196 10.37407 
2.759583       14.68684 
1 1 1 -7  5  12 o 152.1077 4.854611 235.3477       15.01610  243.0248       
21.18601  227.5977       21.28629  154.5381 6.741590 149.5478 6.999525 
4.990250       9.718146 
1 1 1 -7  5  13 o 742.3865 7.759694 5611.124       117.1456  5674.624       
144.8412  5491.026       199.1924  746.3252 9.543611 733.4581 13.35507 
12.86707       16.41458 
1 1 1 -7  5  14 o 206.6573 4.819300 434.5103       20.25284  372.9241       
28.08522  501.2327       29.23293  191.3766 7.216682 221.9007 6.478319 
-30.52405      9.697893 
1 1 1 -7  5  15 o 277.7778 5.243006 785.3330       29.61620  767.3541       
36.16267  821.9539       51.61111  274.5070 6.478218 283.9082 8.939511 
-9.401184      11.04003 
1 1 1 -7  5  16 o 190.1667 5.115799 368.1683       19.78333  347.8549       
27.73651  389.2044       28.22561  184.7182 7.383983 195.4081 7.103122 
-10.68996      10.24586 
1 1 1 -7  5  17 o 277.5322 4.660489 784.2186       26.30245  802.6887       
37.43421  766.2087       36.96481  280.5949 6.560507 274.1367 6.630859 
6.458191       9.327838 
1 1 1 -7  5  18 o 142.2396 5.940697 206.2651       17.18341  202.5118       
24.15932  210.1077       24.44524  140.4907 8.496371 143.1191 8.436650 
-2.628448      11.97353 
1 1 1 -7  5  19 o 125.5876 6.608051 161.4239       16.81672  145.0013       
23.77842  177.8577       23.78644  118.4955 9.960405 131.4984 8.948460 
-13.00287      13.38972 
1 1 1 -7  5  20 o 139.8255 7.404686 200.4477       20.97947  167.0940       
35.00270  219.1474       26.20880  126.2552 13.86137 145.9651 8.871788 
-19.70987      16.45741 
1 1 1 -7  5  21 o 249.0741 6.130870 633.5336       31.05289  643.6160       
39.18018  616.5011       50.92428  250.7374 7.684149 244.7558 10.23153 
5.981644       12.79572 
1 1 1 -7  5  22 o 139.5150 7.115191 199.6874       20.11932  245.8436       
28.82522  155.8405       28.09487  154.3976 9.222958 122.2859 11.43052 
32.11179       14.68740 
1 1 1 -7  5  23 o 159.9103 6.742375 261.7551       21.92506  275.3994       
31.20482  248.4517       30.81234  163.2391 9.440701 154.9122 9.832041 
8.326828       13.63070 
1 1 1 -7  5  24 o 102.0438 9.565374 108.6574       19.61743  132.6243       
28.20008  86.18298       27.30790  111.8404 12.62008 88.81517 15.69391 
23.02518       20.13865 
1 1 1 -7  5  25 o 158.3657 10.16845 263.3213       32.57360  191.8020       
43.46216  354.9783       49.20200  131.5896 16.61210 181.9403 13.39264 
-50.35075      21.33834 
1 1 1 -7  5  26 o 42.22136 16.82985 13.41030       21.73331  12.65247       
37.50468  13.79344       26.66715  49.68988 21.15574 45.01437 18.38917 
4.675510       28.03082 
1 1 1 -7  6  1  o 372.7511 4.662117 1413.740       35.33894  1427.011       
62.15454  1407.401       42.95807  374.2201 8.167598 371.8500 5.681009 
2.370026       9.949046 
1 1 1 -7  6  2  o 35.06472 8.537909 13.03502       6.031086  7.695242       
8.615126  18.16706       8.445880  30.20802 10.92214 41.37768 10.12110 
-11.16966      14.89059 
1 1 1 -7  6  3  o 558.8688 5.979619 3179.740       67.95709  3103.028       
114.7598  3221.168       84.33344  551.4126 10.23438 562.3120 7.375153 
-10.89941      12.61489 
1 1 1 -7  6  4  o 103.9557 4.365596 109.9533       9.228755  101.4862       
15.07877  115.0246       11.66971  99.52670 7.505545 106.1684 5.423318 
-6.641655      9.259892 
1 1 1 -7  6  5  o 399.5795 4.865750 1624.694       39.53706  1580.841       
67.96038  1647.130       48.60979  393.8319 8.485814 402.2508 5.942585 
-8.418884      10.35970 
1 1 1 -7  6  6  o 379.8175 4.771380 1467.850       36.85279  1484.724       
64.86799  1459.808       44.78156  381.7127 8.356847 378.7101 5.814882 
3.002625       10.18085 
1 1 1 -7  6  7  o 473.4514 4.695413 2280.547       45.20647  2227.599       
62.85445  2337.286       65.06610  467.7824 6.607554 479.1546 6.677712 
-11.37225      9.394233 
1 1 1 -7  6  8  o 369.0011 4.797114 1385.221       35.99641  1397.292       
44.29437  1361.744       61.77163  370.5536 5.878223 365.6570 8.307373 
4.896576       10.17674 
1 1 1 -7  6  9  o 684.4256 6.174192 4766.696       85.93257  4783.725       
121.9051  4749.877       121.1525  685.3743 8.746666 682.9481 8.723547 
2.426208       12.35332 
1 1 1 -7  6  10 o 678.6555 6.162179 4686.156       85.04232  4751.197       
121.5292  4623.746       119.0453  683.1120 8.748574 673.8940 8.686985 
9.217957       12.32888 
1 1 1 -7  6  11 o 511.0777 5.089788 2656.984       52.89785  2684.941       
75.27401  2629.707       74.35221  513.6445 7.206609 508.3346 7.192714 
5.309967       10.18186 
1 1 1 -7  6  12 o 459.8885 4.867344 2151.381       45.51935  2172.640       
64.77171  2130.637       63.98369  462.0530 6.893537 457.5659 6.876449 
4.487152       9.736857 
1 1 1 -7  6  13 o 547.8104 5.444132 3053.304       60.64714  3052.199       
85.67487  3054.414       85.86147  547.5302 7.694740 547.7275 7.708721 
-0.1973877     10.89190 
1 1 1 -7  6  14 o 42.34822 15.19739 15.46160       16.64331  -43.53443      
30.68427  40.05344       19.81070  33.15284 15.88735 61.39380 15.78136 
-28.24096      22.39328 
1 1 1 -7  6  15 o 104.9321 14.46827 114.9128       30.05175  0.000000       
0.000000  114.9128       30.05175  ?        ?        104.9321 14.46827 
0.000000       14.46827 
1 1 1 -7  6  16 o 297.8815 4.613663 903.1781       27.94736  907.9358       
39.70700  898.5074       39.34258  298.5038 6.541327 296.9524 6.515154 
1.551392       9.232345 
1 1 1 -7  6  17 o 216.6179 4.838202 477.8139       21.31227  504.6882       
30.78292  453.0728       29.53594  222.4640 6.804537 210.7734 6.891021 
11.69061       9.684415 
1 1 1 -7  6  18 o 233.0803 4.827347 553.3692       22.88050  560.9803       
32.46031  545.8534       32.25648  234.4692 6.807937 231.2802 6.858469 
3.188995       9.663674 
1 1 1 -7  6  19 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -7  6  20 o 89.20485 10.65913 82.97806       18.95284  50.49495       
32.05063  100.4447       23.50239  68.63288 21.00232 97.95734 12.05266 
-29.32446      24.21496 
1 1 1 -7  6  21 o 269.4816 5.914482 741.4178       32.41135  689.2979       
39.03967  857.0256       58.14302  259.5372 7.396991 288.6652 9.904937 
-29.12802      12.36217 
1 1 1 -7  6  22 o 181.2489 5.907229 335.5174       21.77262  313.7437       
30.59826  357.8488       30.98769  174.8316 8.606474 186.8059 8.157316 
-11.97421      11.85804 
1 1 1 -7  6  23 o 207.2959 5.842447 439.1750       24.62844  422.4094       
34.17997  457.2793       35.51831  202.7742 8.289106 210.9805 8.278634 
-8.206299      11.71516 
1 1 1 -7  6  24 o 34.20349 14.61041 0.7652436      17.99483  -19.16378      
24.44053  24.35822       26.59249  32.82150 15.24235 51.64508 19.10631 
-18.82359      24.44136 
1 1 1 -7  6  25 o 48.78930 19.10389 19.32344       27.55011  -16.78786      
38.88325  55.72781       39.04071  43.17587 19.74991 69.16071 23.36937 
-25.98484      30.59716 
1 1 1 -7  6  26 o 113.7093 10.59208 138.3008       24.21045  102.9461       
41.40193  156.6727       29.84516  90.36398 22.59133 120.0157 12.40796 
-29.65176      25.77451 
1 1 1 -7  7  1  o 303.4320 3.680901 936.5557       22.71260  932.3257       
31.98753  940.8569       32.25509  302.6804 5.196907 304.0611 5.216582 
-1.380676      7.363462 
1 1 1 -7  7  2  o 140.7828 3.472594 201.6031       9.941573  201.8206       
14.09790  201.3879       14.02143  140.8299 4.922755 140.6793 4.901291 
0.1505280      6.946666 
1 1 1 -7  7  3  o 626.6497 5.660667 3997.144       72.13464  3996.121       
101.9604  3998.170       102.0672  626.2243 8.006641 626.3838 8.012986 
-0.1594849     11.32759 
1 1 1 -7  7  4  o 154.6337 3.452890 243.2238       10.85771  224.1048       
15.00714  264.2251       15.72851  148.3994 4.972951 161.1411 4.799874 
-12.74162      6.911514 
1 1 1 -7  7  5  o 362.1508 3.997066 1334.220       29.43622  1267.678       
40.33749  1410.024       43.05331  352.9142 5.620673 372.1965 5.688304 
-19.28232      7.996797 
1 1 1 -7  7  6  o 259.5322 4.199566 685.2311       22.16395  720.1542       
40.05340  669.8177       26.60922  265.9130 7.407104 256.5640 5.100175 
9.348999       8.993163 
1 1 1 -7  7  7  o 727.9484 6.435573 5393.977       95.26627  5458.708       
136.1625  5331.905       133.3357  731.8852 9.148778 723.3495 9.064562 
8.535645       12.87891 
1 1 1 -7  7  8  o 136.8176 4.814610 190.4345       13.39536  176.7356       
16.18039  220.2764       23.88141  131.7838 6.037755 146.8568 8.027168 
-15.07298      10.04440 
1 1 1 -7  7  9  f 247.4821 3.859012 622.9311       19.42099  618.1940       
27.43315  627.6905       27.49782  246.5018 5.472731 248.3887 5.443961 
-1.886902      7.719293 
1 1 1 -7  7  10 o 328.6400 4.112778 1098.483       27.48572  1132.328       
39.41668  1066.451       38.34675  333.6140 5.810110 323.7637 5.824370 
9.850311       8.226826 
1 1 1 -7  7  11 o 294.5917 4.120274 882.6551       24.68300  919.4901       
35.42822  847.9106       34.40820  300.6323 5.795118 288.6917 5.861061 
11.94061       8.242295 
1 1 1 -7  7  12 o 212.9315 4.354574 461.1672       18.85546  492.8825       
27.15668  431.6463       26.20032  220.0942 6.067597 205.9640 6.255525 
14.13017       8.714776 
1 1 1 -7  7  13 o 474.0324 5.022925 2286.078       48.41903  2323.522       
69.41731  2250.600       67.56976  477.7562 7.145129 470.2054 7.066647 
7.550812       10.04940 
1 1 1 -7  7  14 o 461.2752 7.063660 2166.596       66.25846  0.000000       
0.000000  2166.596       66.25846  ?        ?        461.2752 7.063660 
0.000000       7.063660 
1 1 1 -7  7  15 o 335.5609 4.647607 1145.862       31.71409  1229.844       
46.70175  1073.991       43.20326  347.4900 6.609056 324.7319 6.542446 
22.75806       9.299635 
1 1 1 -7  7  16 o 153.6946 5.524580 240.5616       17.26670  242.8695       
24.58140  238.3139       24.25938  154.1053 7.870247 152.6531 7.841355 
1.452209       11.10980 
1 1 1 -7  7  17 o 118.7764 6.764148 144.3373       16.27024  126.4844       
22.70794  163.1713       23.32359  110.6967 10.20251 126.0062 9.165102 
-15.30951      13.71460 
1 1 1 -7  7  18 o 175.2422 5.324647 312.9471       18.97497  382.2945       
28.13347  255.0750       25.70058  193.5143 7.149224 157.7843 8.036521 
35.72998       10.75626 
1 1 1 -7  7  19 o 140.3020 7.266853 201.6411       20.66191  190.2069       
24.98808  226.3585       36.73934  135.9655 9.089965 147.6904 12.34608 
-11.72491      15.33144 
1 1 1 -7  7  20 o 132.8752 7.965707 181.3512       21.42453  186.0764       
37.09925  178.9869       26.24281  133.2569 13.89502 131.6459 9.874779 
1.610931       17.04649 
1 1 1 -7  7  21 o 35.98394 15.15238 2.193914       18.89159  -10.36213      
23.81499  23.50620       31.02695  35.30575 15.87120 54.02103 20.49985 
-18.71528      25.92564 
1 1 1 -7  7  22 f 31.40030 13.67830 -2.483107      16.38119  15.51216       
24.60089  -16.81815      21.95691  46.64524 18.11105 31.55185 14.58012 
15.09339       23.25059 
1 1 1 -7  7  23 o 104.5956 9.275517 113.5614       19.52422  101.3977       
26.82146  127.2716       28.47556  97.52412 13.91937 109.7487 13.01261 
-12.22460      19.05457 
1 1 1 -7  7  24 o 65.03522 14.73493 46.55534       19.03591  42.93707       
26.79372  50.24311       27.04980  62.31667 19.22509 66.85824 19.00021 
-4.541573      27.02984 
1 1 1 -7  7  25 o 136.2113 9.528943 194.5304       26.22799  216.4505       
45.95028  183.9377       31.94267  139.7094 16.49171 131.2255 12.10671 
8.483917       20.45847 
1 1 1 -7  7  26 o 53.02898 17.56585 31.89643       22.07008  12.39749       
37.45158  42.27041       27.31727  49.40580 21.09030 59.79749 19.53004 
-10.39169      28.74410 
1 1 1 -7  8  1  o 538.3640 5.051753 2949.295       55.30566  2966.108       
78.51476  2932.738       77.91669  539.6810 7.154227 536.6382 7.139987 
3.042786       10.10754 
1 1 1 -7  8  2  o 216.5406 3.386599 476.9406       14.91264  481.2591       
21.31944  472.8035       20.86716  217.4766 4.820719 215.5597 4.760409 
1.916931       6.775015 
1 1 1 -7  8  3  o 309.2062 3.684571 972.5576       23.16790  955.8134       
32.41550  990.0427       33.12472  306.4637 5.201423 311.9018 5.222553 
-5.438080      7.370879 
1 1 1 -7  8  4  o 392.8502 4.138282 1570.081       33.05966  1616.395       
47.62581  1527.011       45.92728  398.4871 5.877284 387.3160 5.831144 
11.17108       8.279173 
1 1 1 -7  8  5  o 244.7601 3.505729 609.3591       17.44899  632.0841       
25.15858  588.2958       24.22131  249.2331 4.963967 240.4456 4.953696 
8.787491       7.012851 
1 1 1 -7  8  6  o 502.7206 5.628756 2572.060       57.54274  2623.092       
101.9986  2548.235       69.69209  507.1889 9.889475 500.2744 6.850524 
6.914551       12.03044 
1 1 1 -7  8  7  o 372.9707 4.124343 1415.030       31.28102  1404.297       
44.03560  1425.962       44.44331  371.4706 5.829457 374.3245 5.838573 
-2.853912      8.250546 
1 1 1 -7  8  8  o 288.6400 4.430427 847.4850       26.00479  870.8253       
32.22911  803.9393       44.02182  292.5546 5.417388 280.9973 7.703968 
11.55737       9.418026 
1 1 1 -7  8  9  o 359.7813 4.182600 1316.586       30.60104  1335.847       
43.64108  1297.955       42.92073  362.3402 5.922806 357.1648 5.909448 
5.175415       8.366673 
1 1 1 -7  8  10 o 973.1678 8.321387 9641.250       164.6777  9370.834       
226.5651  9944.117       239.7749  958.8612 11.61946 987.6902 11.93800 
-28.82898      16.65916 
1 1 1 -7  8  11 o 472.5966 4.883576 2271.885       46.93319  2254.251       
65.82187  2290.124       66.93933  470.6610 6.877183 474.3876 6.938995 
-3.726624      9.769611 
1 1 1 -7  8  12 o 403.1978 4.623763 1653.641       37.91099  1674.880       
53.68105  1632.507       53.54767  405.6949 6.506838 400.5266 6.574425 
5.168304       9.249973 
1 1 1 -7  8  13 o 190.1413 4.800548 367.8030       18.56174  396.3913       
27.19802  342.8792       25.39516  197.3383 6.777576 183.5347 6.804269 
13.80367       9.603833 
1 1 1 -7  8  14 o 359.2467 6.527566 1313.934       47.68650  0.000000       
0.000000  1313.934       47.68650  ?        ?        359.2467 6.527566 
0.000000       6.527566 
1 1 1 -7  8  15 o 372.1291 4.733981 1409.310       35.82379  1453.376       
51.29143  1367.341       50.05614  377.7310 6.677452 366.3761 6.718600 
11.35489       9.472484 
1 1 1 -7  8  16 o 257.0873 4.649786 672.8023       24.30889  658.9561       
34.17328  686.9853       34.58636  254.2775 6.608871 259.6345 6.550750 
-5.356949      9.305347 
1 1 1 -7  8  17 o 333.4491 4.678227 1132.199       31.72213  1107.019       
44.38567  1158.489       45.35372  329.4758 6.624724 337.0492 6.617106 
-7.573425      9.363390 
1 1 1 -7  8  18 o 380.2786 4.851232 1473.166       37.51503  1543.339       
54.38877  1409.482       51.81341  388.8570 6.878090 371.6159 6.856405 
17.24112       9.711767 
1 1 1 -7  8  19 o 363.1416 5.636888 1344.796       41.62621  1314.045       
50.30092  1411.614       74.14693  358.7031 6.895875 370.9389 9.829679 
-12.23581      12.00732 
1 1 1 -7  8  20 o 106.9856 9.105408 118.2405       19.62122  80.18050       
32.85886  139.3325       24.46110  85.51134 19.34821 115.9212 10.49042 
-30.40983      22.00914 
1 1 1 -7  8  21 o 80.69617 12.45791 68.93946       19.78498  60.39308       
24.61190  84.55049       33.26364  74.43575 16.67370 87.68196 19.18848 
-13.24622      25.42066 
1 1 1 -7  8  22 o 116.8017 8.137633 140.5924       19.20777  158.0920       
27.04613  122.7846       27.28319  123.2663 10.90212 108.0595 12.65567 
15.20679       16.70396 
1 1 1 -7  8  23 o 33.18695 14.44841 -2.336070      18.25511  -21.37539      
25.46508  17.79214       26.18315  33.26864 15.48606 48.45369 18.72033 
-15.18504      24.29545 
1 1 1 -7  8  24 o 87.10899 11.18672 80.37022       19.35814  32.85011       
27.22800  128.9417       27.52756  56.38775 19.50440 110.1723 12.50867 
-53.78457      23.17085 
1 1 1 -7  8  25 o 82.16222 14.47828 74.72207       23.30644  56.01914       
40.11896  84.24927       28.63371  69.04976 23.68738 86.17162 16.94427 
-17.12186      29.12388 
1 1 1 -7  8  26 o 29.59453 13.87538 -17.54576      21.05592  -63.72958      
37.27707  4.093492       25.51631  32.75393 16.09853 40.19487 17.28962 
-7.440945      23.62401 
1 1 1 -7  9  1  o 250.0650 4.054434 636.1219       20.61743  629.9554       
24.86101  649.7043       36.89643  248.8214 4.913372 252.5881 7.183236 
-3.766678      8.702879 
1 1 1 -7  9  2  o 116.3973 3.687181 137.8144       8.727479  137.6070       
12.33826  138.0220       12.34678  116.2846 5.217715 116.4599 5.213459 
-0.1753082     7.375955 
1 1 1 -7  9  3  o 117.2954 3.676037 139.9505       8.768236  128.5737       
12.16832  152.2375       12.64578  112.3997 5.323705 122.3116 5.084246 
-9.911858      7.361480 
1 1 1 -7  9  4  o 169.0413 3.394961 290.6484       11.67022  271.3220       
16.11273  311.9739       16.92562  163.2930 4.852329 175.1018 4.753379 
-11.80888      6.792622 
1 1 1 -7  9  5  o 292.0473 3.657512 867.5738       21.72152  890.5707       
31.19640  845.9329       30.26263  295.8312 5.185720 288.3230 5.161500 
7.508148       7.316609 
1 1 1 -7  9  6  o 158.9649 4.295763 257.0689       13.88651  272.4973       
25.09408  250.2590       16.67187  163.5771 7.543923 156.8256 5.227763 
6.751511       9.178250 
1 1 1 -7  9  7  o 331.9158 3.936379 1120.595       26.56907  1129.629       
37.72259  1111.702       37.42782  333.1853 5.567552 330.5309 5.568409 
2.654449       7.874313 
1 1 1 -7  9  8  o 499.3990 4.904795 2537.176       49.81039  2574.975       
71.23779  2501.020       69.67332  502.9675 6.964967 495.6962 6.911932 
7.271332       9.812522 
1 1 1 -7  9  9  o 219.0408 3.898712 487.9769       17.36591  476.0022       
24.12148  500.8618       25.02145  216.3053 5.483847 221.8803 5.545519 
-5.575012      7.799061 
1 1 1 -7  9  10 o 397.7456 4.445876 1609.109       35.95955  1578.080       
50.06334  1642.180       51.68434  393.8241 6.251238 401.7394 6.326493 
-7.915314      8.893958 
1 1 1 -7  9  11 o 368.7106 4.380904 1382.751       32.84738  1469.063       
48.09188  1307.276       44.97138  379.9766 6.223913 358.4453 6.169671 
21.53131       8.763671 
1 1 1 -7  9  12 o 110.1926 7.182584 124.1157       16.00677  126.4986       
19.76939  119.5800       27.27441  111.1028 8.822799 107.5253 12.72013 
3.577492       15.48042 
1 1 1 -7  9  13 f 195.3176 4.768478 388.1078       18.93968  378.2152       
26.88490  397.8544       26.68571  192.7534 6.858907 197.7020 6.637682 
-4.948532      9.544812 
1 1 1 -7  9  14 o 287.8341 6.354488 843.4698       37.19411  0.000000       
0.000000  843.4698       37.19411  ?        ?        287.8341 6.354488 
0.000000       6.354488 
1 1 1 -7  9  15 o 164.5542 5.457863 275.6718       18.26346  317.6319       
26.43040  237.3280       25.26579  176.5421 7.362139 152.3425 8.185687 
24.19962       11.00939 
1 1 1 -7  9  16 o 302.3895 4.657086 930.8557       28.63733  911.0969       
40.38417  950.8414       40.61540  298.9753 6.642391 305.4384 6.539065 
-6.463104      9.320983 
1 1 1 -7  9  17 o 348.5894 4.710138 1237.434       33.38868  1211.004       
46.35767  1265.924       48.12962  344.5874 6.615623 352.2976 6.718174 
-7.710236      9.428698 
1 1 1 -7  9  18 o 179.8222 5.312198 329.5531       19.42536  329.5157       
26.74039  329.5949       28.26628  179.6231 7.320725 179.5978 7.739557 
0.2528381E-01  10.65335 
1 1 1 -7  9  19 o 262.6142 5.673292 703.3792       30.29736  677.4005       
36.30956  762.9282       54.97302  257.5244 6.933479 272.6490 9.915036 
-15.12460      12.09880 
1 1 1 -7  9  20 o 75.88976 12.80784 61.16129       19.06203  27.44652       
32.25960  79.24818       23.62822  56.54685 21.01925 86.34458 13.93105 
-29.79773      25.21671 
1 1 1 -7  9  21 o 231.3414 5.559556 546.2487       26.15441  522.0739       
36.32860  572.2617       37.68450  225.7222 7.914492 236.3396 7.841062 
-10.61742      11.14098 
1 1 1 -7  9  22 o 37.25009 15.02017 7.022025       17.52415  8.643665       
24.77659  5.398734       24.78919  43.42566 17.73105 42.00199 17.49868 
1.423672       24.91172 
1 1 1 -7  9  23 o 71.41116 13.43131 54.97541       18.78864  72.03835       
26.47104  37.65188       26.67241  81.03213 16.62192 59.53680 19.28967 
21.49532       25.46329 
1 1 1 -7  9  24 o 73.76811 13.36706 59.05523       19.31359  69.87338       
27.26987  48.16749       27.35743  78.94840 17.45013 65.41557 19.26577 
13.53283       25.99379 
1 1 1 -7  9  25 f 103.9507 11.43885 115.5574       23.78017  110.7879       
42.66416  117.7070       28.64193  95.64093 22.34030 103.7377 13.92924 
-8.096786      26.32703 
1 1 1 -7  9  26 o 36.27034 15.65954 1.904084       21.08895  4.274798       
37.76930  0.8301526      25.42070  46.81095 20.56981 38.84937 16.97799 
7.961586       26.67150 
1 1 1 -7  10 1  o 379.7679 4.063621 1467.111       31.38216  1487.523       
44.75750  1447.372       44.01399  382.3096 5.757040 377.1158 5.739376 
5.193817       8.129203 
1 1 1 -7  10 2  o 468.3678 4.587482 2231.893       43.69309  2207.086       
61.24991  2257.596       62.34744  465.6105 6.468912 470.9043 6.510803 
-5.293762      9.178092 
1 1 1 -7  10 3  o 294.2830 3.642093 880.9102       21.79554  857.4760       
30.30471  906.0211       31.36998  290.2830 5.133778 298.3852 5.169940 
-8.102173      7.285873 
1 1 1 -7  10 4  o 678.8699 6.999314 4693.008       96.62588  4782.769       
119.9542  4527.137       163.0639  685.0656 8.610570 665.7789 12.04416 
19.28662       14.80553 
1 1 1 -7  10 5  o 204.0077 4.032056 423.3714       16.72725  403.9245       
19.87949  470.5253       30.95563  199.2444 4.906453 214.9620 7.081520 
-15.71759      8.615172 
1 1 1 -7  10 6  o 83.54358 5.824800 71.37608       9.833758  66.08673       
11.76459  83.64130       17.91487  80.23327 7.290157 90.03204 9.951469 
-9.798775      12.33605 
1 1 1 -7  10 7  o 247.6356 5.366011 623.9598       27.02191  629.2946       
38.74733  618.9086       37.70355  248.6000 7.664595 246.5466 7.520240 
2.053345       10.73779 
1 1 1 -7  10 8  o 501.0593 4.926067 2554.038       50.19274  2527.458       
70.47942  2581.393       71.49805  498.3155 6.955151 503.6024 6.981602 
-5.286896      9.854790 
1 1 1 -7  10 9  o 293.0733 4.007293 873.5893       23.88244  877.9450       
33.52650  869.1021       34.02885  293.7596 5.612349 292.2729 5.725420 
1.486755       8.017412 
1 1 1 -7  10 10 o 693.4549 6.286670 4892.915       88.65237  5007.874       
127.9406  4786.741       122.9548  701.2950 8.971316 685.6534 8.818390 
15.64160       12.57969 
1 1 1 -7  10 11 o 342.9303 4.300034 1196.144       29.98674  1195.628       
42.36237  1196.662       42.45307  342.7973 6.077032 342.9451 6.087418 
-0.1477661     8.601568 
1 1 1 -7  10 12 o 47.01528 13.91435 22.87740       14.23974  43.42038       
17.78806  -13.77634      23.76052  63.97411 14.05709 34.58622 15.67155 
29.38789       21.05229 
1 1 1 -7  10 13 o 143.6599 5.541940 210.0124       16.19007  174.6996       
22.66148  246.8271       23.13839  130.6730 8.575656 155.6966 7.308067 
-25.02356      11.26720 
1 1 1 -7  10 14 o 177.8280 7.160163 322.0903       25.89252  0.000000       
0.000000  322.0903       25.89252  ?        ?        177.8280 7.160163 
0.000000       7.160163 
1 1 1 -7  10 15 f 404.0633 4.829758 1661.792       39.68498  1580.604       
54.39191  1754.206       58.03073  393.8672 6.790989 414.9226 6.877641 
-21.05533      9.665376 
1 1 1 -7  10 16 o 171.6793 5.351780 300.1820       18.68390  257.9678       
26.05028  344.9018       26.81225  158.7754 8.095100 183.9013 7.169635 
-25.12592      10.81362 
1 1 1 -7  10 17 o 347.6738 4.719668 1231.020       33.36836  1188.147       
46.20675  1277.747       48.23880  341.2942 6.657713 353.9214 6.702523 
-12.62717      9.447166 
1 1 1 -7  10 18 o 66.76392 11.26761 47.03260       14.75311  68.50027       
20.77446  25.19059       20.95481  80.49028 13.14603 50.72975 17.12114 
29.76053       21.58591 
1 1 1 -7  10 19 o 117.2062 8.069310 141.2209       19.11544  126.5433       
22.70251  176.9748       35.43293  110.5394 10.21516 130.0882 13.59507 
-19.54887      17.00516 
1 1 1 -7  10 20 o 125.4131 8.382624 161.8941       21.25523  209.0565       
39.69604  142.9373       25.16701  141.1852 14.01137 117.3501 10.66258 
23.83507       17.60707 
1 1 1 -7  10 21 o 186.6632 5.998663 355.8900       22.77008  339.8351       
32.17941  371.9896       32.22416  181.9494 8.697127 190.4393 8.320960 
-8.489883      12.03654 
1 1 1 -7  10 22 o 120.6698 8.091349 150.0514       19.74010  130.7099       
28.26720  168.4624       27.57895  111.4703 12.69671 127.2678 10.75708 
-15.79753      16.64095 
1 1 1 -7  10 23 o 122.9616 8.142500 156.1070       20.24481  159.6344       
28.67887  152.6032       28.58233  123.4119 11.56234 120.5635 11.80981 
2.848434       16.52753 
1 1 1 -7  10 24 o 101.6766 9.748276 108.2950       19.90873  90.26777       
27.85809  127.1123       28.46201  90.63729 15.68213 109.0197 13.10067 
-18.38239      20.43421 
1 1 1 -7  10 25 o 65.33236 16.43452 48.91055       21.81443  63.49428       
40.62891  43.00340       25.85770  72.16737 23.82987 61.03246 18.89580 
11.13490       30.41240 
1 1 1 -7  10 26 o 51.10144 17.60213 29.26815       22.16468  92.60413       
40.05674  1.318695       26.60952  84.64610 22.77255 39.70937 17.36170 
44.93674       28.63595 
1 1 1 -7  11 1  o 488.9666 4.726955 2432.462       47.00154  2436.546       
66.64001  2428.419       66.30173  489.2259 6.698448 488.4113 6.675561 
0.8145752      9.456866 
1 1 1 -7  11 2  o 150.9515 3.419764 231.7625       10.49748  213.1094       
14.56077  251.9503       15.14798  144.7228 4.947618 157.3642 4.733662 
-12.64143      6.847371 
1 1 1 -7  11 3  o 579.1614 5.327960 3413.379       62.74975  3452.972       
89.61259  3375.288       87.89542  582.2626 7.568306 575.6833 7.508120 
6.579346       10.66073 
1 1 1 -7  11 4  o 67.22916 5.246732 46.27167       7.116152  44.39373       
9.881547  48.29481       10.25644  65.59172 7.545905 68.45660 7.489854 
-2.864883      10.63196 
1 1 1 -7  11 5  o 467.9360 4.614058 2227.688       43.90570  2317.229       
63.97694  2147.974       60.36449  477.0988 6.594225 459.3553 6.462214 
17.74341       9.232769 
1 1 1 -7  11 6  o 437.1245 4.454724 1943.822       39.59838  1977.678       
56.75480  1911.707       55.27562  440.7986 6.331564 433.3883 6.271985 
7.410217       8.912154 
1 1 1 -7  11 7  o 478.8855 5.517433 2333.448       53.73042  2298.257       
93.15544  2350.992       65.77372  474.9086 9.645990 480.5978 6.730065 
-5.689209      11.76176 
1 1 1 -7  11 8  f 384.2450 4.269891 1501.769       33.36387  1523.597       
47.65024  1480.777       46.73048  386.9527 6.055580 381.4779 6.023922 
5.474792       8.541528 
1 1 1 -7  11 9  o 528.0128 5.970480 2836.629       64.10696  2888.328       
79.29372  2739.068       108.9271  532.7126 7.319718 518.5056 10.33073 
14.20703       12.66105 
1 1 1 -7  11 10 o 437.1342 5.385144 1943.934       47.87001  1945.582       
58.46619  1940.584       83.37831  437.2624 6.575234 436.5208 9.392837 
0.7416382      11.46556 
1 1 1 -7  11 11 o 92.88721 7.734436 88.43583       14.47672  94.80886       
17.50319  74.63603       25.75614  96.06161 9.067422 84.14647 15.62727 
11.91514       18.06737 
1 1 1 -7  11 12 o 200.2143 6.524968 407.9743       26.56592  407.9743       
26.56592  0.000000       0.000000  200.2143 6.524968 ?        ?        
0.000000       6.524968 
1 1 1 -7  11 13 o 325.3166 5.183036 1076.863       34.28798  1063.231       
41.88031  1104.577       59.71409  323.1887 6.372390 329.2333 8.919110 
-6.044647      10.96165 
1 1 1 -7  11 14 o 303.7341 8.829485 940.6551       54.53564  0.000000       
0.000000  940.6551       54.53564  ?        ?        303.7341 8.829485 
0.000000       8.829485 
1 1 1 -7  11 15 o 101.5697 8.409941 105.9621       17.21408  107.8905       
21.85333  102.8092       27.94282  102.1864 10.67409 99.08767 14.27985 
3.098724       17.82835 
1 1 1 -7  11 16 o 336.7848 4.730969 1154.838       32.40067  1128.896       
45.15131  1182.380       46.52237  332.7553 6.672582 340.5402 6.718031 
-7.784943      9.468649 
1 1 1 -7  11 17 o 109.5419 7.176094 122.9977       15.89691  134.9429       
22.30392  110.6640       22.66367  114.4004 9.678202 103.2963 10.95659 
11.10412       14.61898 
1 1 1 -7  11 18 o 96.21236 8.101034 95.32446       15.70228  106.7860       
22.02782  83.48363       22.38934  101.3963 10.85157 89.12236 12.71430 
12.27390       16.71556 
1 1 1 -7  11 19 o 173.0493 6.532337 305.7952       22.98740  306.1788       
27.73106  304.9525       41.09761  172.9884 7.883120 171.5775 11.85155 
1.410858       14.23386 
1 1 1 -7  11 20 o 61.83707 15.05169 41.44871       18.74878  14.94143       
32.18503  55.06400       23.06666  50.87605 20.41143 71.14787 16.29368 
-20.27182      26.11724 
1 1 1 -7  11 21 o 51.48505 15.22843 28.23829       17.06034  42.45173       
23.70882  12.97595       24.56805  62.49477 17.79791 45.36972 17.95390 
17.12505       25.28059 
1 1 1 -7  11 22 o 91.54777 10.37949 87.57771       18.98154  96.07289       
27.02453  79.30585       26.66695  94.81264 14.47542 85.54085 15.91597 
9.271797       21.51408 
1 1 1 -7  11 23 o 55.59584 15.94799 33.67506       18.96821  26.64932       
26.68062  40.85507       26.97197  53.13065 19.21929 61.38842 19.34647 
-8.257771      27.27026 
1 1 1 -7  11 24 o 53.06269 15.98434 30.84440       18.66913  50.96307       
26.60661  11.33252       26.20230  66.96841 18.77864 44.81298 18.25854 
22.15543       26.19183 
1 1 1 -7  11 25 o 85.93649 13.50732 81.27100       22.82595  70.39760       
39.35180  86.78445       28.02167  75.37275 23.30643 87.40614 16.36674 
-12.03339      28.47912 
1 1 1 -7  12 1  f 240.7419 3.466909 589.4722       16.97249  582.9922       
23.94514  596.0148       24.06072  239.3764 4.919089 242.0361 4.888516 
-2.659744      6.935058 
1 1 1 -7  12 2  o 316.4956 3.730337 1018.882       24.00862  1000.632       
33.61992  1037.874       34.29683  313.5883 5.272121 319.3701 5.280904 
-5.781830      7.462119 
1 1 1 -7  12 3  o 543.3346 5.081275 3003.814       56.14246  3030.020       
79.98670  2978.366       78.82100  545.4979 7.210631 540.8331 7.166832 
4.664795       10.16645 
1 1 1 -7  12 4  o 657.0863 5.884123 4394.260       78.62409  4351.466       
110.2776  4438.502       112.1280  653.5672 8.297466 660.0624 8.353680 
-6.495239      11.77421 
1 1 1 -7  12 5  o 198.8461 3.470913 402.1575       14.03500  390.0320       
19.72314  414.5963       19.97624  195.7926 4.953684 201.8663 4.866294 
-6.073715      6.944048 
1 1 1 -7  12 6  f 628.8276 5.720267 4023.851       73.14748  3969.602       
102.2895  4080.625       104.6430  624.3218 8.056955 632.9829 8.129554 
-8.661133      11.44571 
1 1 1 -7  12 7  o 298.9528 4.499936 909.1293       27.35649  924.1224       
49.48893  902.5319       32.82802  301.2543 8.078363 297.8353 5.420223 
3.419037       9.728247 
1 1 1 -7  12 8  o 338.6058 4.091367 1166.159       28.17177  1168.639       
39.94775  1163.704       39.73491  338.9078 5.796413 338.1922 5.777730 
0.7155762      8.184166 
1 1 1 -7  12 9  o 179.6423 4.846500 328.2695       17.70468  322.2343       
21.22891  342.0567       32.08646  177.9650 5.865994 183.2887 8.608645 
-5.323669      10.41723 
1 1 1 -7  12 10 f 668.3843 6.113152 4545.464       83.08887  4623.412       
119.3213  4472.088       115.7700  673.8478 8.707726 662.7413 8.590143 
11.10651       12.23172 
1 1 1 -7  12 11 o 397.2633 4.548467 1605.319       36.74472  1559.111       
51.05670  1654.966       52.92332  391.4227 6.414390 403.2735 6.453510 
-11.85086      9.099021 
1 1 1 -7  12 12 o 344.2201 5.127717 1205.506       35.89317  1200.544       
44.08939  1215.259       61.80753  343.4547 6.312671 345.3966 8.799782 
-1.941864      10.82986 
1 1 1 -7  12 13 o 253.3365 4.474320 652.9442       23.05028  647.1491       
32.74640  658.6354       32.45164  252.1317 6.386820 254.3648 6.273763 
-2.233154      8.952741 
1 1 1 -7  12 14 o 216.7644 5.509469 478.3075       24.28561  517.6504       
44.93742  462.0761       28.86376  225.2165 9.811979 212.9969 6.663896 
12.21959       11.86096 
1 1 1 -7  12 15 o 301.8933 4.563258 927.6547       28.01431  881.6599       
38.95696  976.9106       40.31434  294.1533 6.512682 309.6465 6.402387 
-15.49323      9.132666 
1 1 1 -7  12 16 o 111.4852 7.179015 127.3134       16.18893  115.2242       
22.65169  139.9355       23.14551  105.5352 10.70290 116.5420 9.858830 
-11.00680      14.55159 
1 1 1 -7  12 17 o 92.34976 8.286763 87.87151       15.39664  95.90076       
20.94131  78.42457       22.71496  96.06968 10.91293 86.24760 13.38516 
9.822083       17.27005 
1 1 1 -7  12 18 o 285.6669 4.729400 831.4318       27.47371  812.5389       
38.21572  851.6412       39.52472  282.1200 6.661265 288.8166 6.729692 
-6.696533      9.468961 
1 1 1 -7  12 19 o 323.0077 5.646809 1064.368       37.09090  1103.556       
45.58197  987.5682       63.81133  328.6498 6.820375 309.9987 10.12247 
18.65112       12.20582 
1 1 1 -7  12 20 o 191.6668 6.703144 375.5359       26.12624  403.1148       
45.68462  362.1327       31.84824  197.2559 11.43819 187.9406 8.333229 
9.315262       14.15185 
1 1 1 -7  12 21 o 108.9000 8.738547 122.5630       19.18868  122.4402       
26.01043  122.7096       28.42364  108.0707 12.04022 107.8581 13.23696 
0.2126083      17.89368 
1 1 1 -7  12 22 o 29.93868 13.58153 -9.684243      17.90829  0.2457514      
25.11735  -19.95144      25.54025  40.05793 17.19011 33.76528 15.64578 
6.292645       23.24415 
1 1 1 -7  12 23 o 111.0595 10.26207 128.8451       22.91413  115.5008       
28.92824  151.3173       37.54029  103.8841 14.05455 118.3315 16.01200 
-14.44739      21.30527 
1 1 1 -7  12 24 o 162.3137 7.793347 271.9196       25.72354  251.6299       
31.55766  312.0938       44.40600  155.0741 10.06158 171.3009 12.84110 
-16.22678      16.31347 
1 1 1 -7  12 25 o 60.57819 19.04202 42.76736       26.14754  51.88387       
39.10593  35.39620       35.16381  66.11012 23.34082 58.01064 21.86924 
8.099476       31.98527 
1 1 1 -7  13 1  o 511.7597 4.884105 2664.493       50.82794  2647.043       
71.51762  2682.303       72.25112  509.9289 6.896869 513.3116 6.921689 
-3.382751      9.771212 
1 1 1 -7  13 2  o 339.9673 4.494612 1175.787       31.07282  1233.333       
57.16145  1151.650       37.02028  347.9793 8.077899 336.4192 5.411374 
11.56012       9.722933 
1 1 1 -7  13 3  o 434.9645 5.105702 1925.018       45.16070  1898.420       
79.00968  1937.924       55.03756  431.6290 9.001570 436.3471 6.202627 
-4.718048      10.93164 
1 1 1 -7  13 4  o 151.5545 4.183891 233.6484       12.89438  228.3907       
24.18144  235.7374       15.24217  149.5350 7.981065 152.2167 4.924171 
-2.681732      9.377892 
1 1 1 -7  13 5  o 187.4753 5.059346 357.5984       19.28811  357.5984       
19.28811  0.000000       0.000000  187.4753 5.059346 ?        ?        
0.000000       5.059346 
1 1 1 -7  13 6  o 312.0318 3.842292 990.3132       24.38039  1040.058       
35.55167  946.1496       33.49806  319.7148 5.468218 304.9423 5.401950 
14.77252       7.686512 
1 1 1 -7  13 7  o 517.7025 5.839654 2727.120       61.47786  2643.181       
105.7083  2770.022       75.57304  509.2847 10.20698 521.6642 7.124009 
-12.37946      12.44725 
1 1 1 -7  13 8  o 563.6220 5.361794 3231.810       61.45390  3113.219       
84.41931  3365.501       89.63268  553.0324 7.506539 574.9899 7.665751 
-21.95752      10.72902 
1 1 1 -7  13 9  o 111.6483 6.061681 127.2059       13.71090  140.8961       
16.70492  98.94487       24.00122  117.4520 7.026357 97.73627 12.35186 
19.71571       14.21049 
1 1 1 -7  13 10 o 344.3632 4.265977 1206.169       29.87354  1195.377       
42.02494  1217.193       42.47377  342.7589 6.029301 345.8720 6.038847 
-3.113098      8.533472 
1 1 1 -7  13 11 o 357.7792 4.402083 1302.068       32.02763  1301.707       
45.22995  1302.430       45.35814  357.6552 6.218852 357.7536 6.234761 
-0.9848022E-01 8.806041 
1 1 1 -7  13 12 o 509.1889 5.203644 2638.043       53.88129  2623.851       
75.88036  2652.477       76.52299  507.6414 7.350568 510.4009 7.372743 
-2.759491      10.41096 
1 1 1 -7  13 13 o 121.5147 6.227280 150.7135       15.33617  130.7435       
22.02566  169.5062       21.36660  112.8144 9.695112 128.7185 8.205631 
-15.90401      12.70148 
1 1 1 -7  13 14 o 385.6995 5.436908 1514.442       42.64347  1485.418       
73.51522  1529.160       52.35080  381.5092 9.475907 387.4520 6.644373 
-5.942780      11.57327 
1 1 1 -7  13 15 o 385.2062 4.736258 1510.548       37.10052  1520.052       
52.76926  1501.258       52.17197  386.1791 6.719560 383.7892 6.684873 
2.389923       9.478397 
1 1 1 -7  13 16 o 325.7264 4.648294 1080.349       30.78917  1065.364       
43.21564  1095.796       43.87681  323.2226 6.574880 327.8055 6.582143 
-4.582916      9.303421 
1 1 1 -7  13 17 o 330.1140 4.702470 1110.033       31.56759  1074.872       
43.91786  1147.616       45.40594  324.5494 6.654400 335.3513 6.658268 
-10.80182      9.413479 
1 1 1 -7  13 18 o 182.2293 5.302626 338.5418       19.64992  335.7625       
27.79735  341.3180       27.78101  181.2338 7.542457 182.7356 7.476071 
-1.501785      10.61981 
1 1 1 -7  13 19 o 130.1989 7.732839 174.0756       20.38188  168.1054       
24.74808  186.6621       35.93366  127.5946 9.608537 133.5676 13.41076 
-5.973007      16.49765 
1 1 1 -7  13 20 o 90.55402 13.52153 86.99532       24.13636  0.000000       
0.000000  86.99532       24.13636  ?        ?        90.55402 13.52153 
0.000000       13.52153 
1 1 1 -7  13 21 o 149.3182 6.705357 228.0905       20.36038  232.1008       
29.64042  224.5078       28.01606  149.8034 9.783696 147.4205 9.394325 
2.382843       13.56370 
1 1 1 -7  13 22 o 48.87942 15.93621 24.57288       18.19165  27.40930       
25.84233  21.78659       25.61296  53.43933 18.96260 50.26439 18.72020 
3.174934       26.64631 
1 1 1 -7  13 23 o 45.99780 15.89367 20.87087       18.07772  11.79698       
26.77633  28.47114       24.50580  45.70887 18.51893 53.22221 18.49836 
-7.513344      26.17518 
1 1 1 -7  13 24 f 50.76588 16.05274 27.95790       18.55775  34.30869       
25.39702  20.68240       27.18317  56.28876 18.84946 49.47683 19.08601 
6.811935       26.82495 
1 1 1 -7  13 25 o 60.93889 16.41199 43.00025       20.79223  48.03409       
36.42146  40.56657       25.32443  63.79376 22.52519 59.02492 18.76177 
4.768841       29.31533 
1 1 1 -7  14 1  o 239.4008 3.500309 582.9082       17.04055  565.2755       
23.91431  601.0963       24.28798  235.7165 4.989033 243.0725 4.913649 
-7.355972      7.002456 
1 1 1 -7  14 2  o 446.0890 4.454226 2024.330       40.40594  2001.477       
56.73054  2047.859       57.56383  443.4538 6.290963 448.5612 6.310686 
-5.107391      8.910723 
1 1 1 -7  14 3  o 499.4702 4.793096 2538.034       48.68298  2529.479       
68.72424  2546.650       68.97270  498.4804 6.779699 500.1693 6.781236 
-1.688812      9.589029 
1 1 1 -7  14 4  o 709.6111 6.268518 5125.030       90.45586  5034.842       
125.9770  5221.017       129.9640  702.9968 8.812242 715.8576 8.927811 
-12.86084      12.54438 
1 1 1 -7  14 5  o 316.1108 3.788316 1016.371       24.35213  1072.104       
35.45795  966.6129       33.50334  324.6048 5.371644 308.2225 5.345304 
16.38232       7.578050 
1 1 1 -7  14 6  o 596.8127 5.515469 3624.084       66.93787  3584.648       
93.92167  3664.794       95.42514  593.3530 7.783972 599.9454 7.821673 
-6.592468      11.03489 
1 1 1 -7  14 7  o 227.1997 4.439393 525.0697       20.51081  526.6182       
37.54138  524.4108       24.48889  227.4241 8.117501 227.0370 5.304214 
0.3870697      9.696830 
1 1 1 -7  14 8  o 366.2908 4.954421 1364.846       36.90373  1375.563       
65.85922  1359.942       44.55569  367.5334 8.811875 365.5910 5.993165 
1.942444       10.65679 
1 1 1 -7  14 9  o 361.1543 6.178232 1327.174       45.37415  1292.342       
63.65904  1363.145       64.69086  356.2488 8.787295 365.8833 8.694587 
-9.634430      12.36173 
1 1 1 -7  14 10 o 401.5017 5.251457 1639.982       42.87643  1686.232       
76.54839  1618.839       51.75750  406.8845 9.251528 398.8520 6.381314 
8.032532       11.23886 
1 1 1 -7  14 11 o 421.9148 6.642123 1811.813       56.98796  1849.692       
83.30118  1778.489       78.13313  426.0648 9.614440 417.8218 9.195868 
8.243073       13.30419 
1 1 1 -7  14 12 o 340.0964 5.140859 1176.909       35.55406  1242.751       
64.81739  1148.572       42.52200  349.2062 9.127634 335.9201 6.224813 
13.28610       11.04817 
1 1 1 -7  14 13 o 376.3534 6.512643 1442.271       49.84304  0.000000       
0.000000  1442.271       49.84304  ?        ?        376.3534 6.512643 
0.000000       6.512643 
1 1 1 -7  14 14 o 177.2378 5.853562 319.8900       21.09735  360.5167       
38.42485  302.3572       25.24252  187.6023 10.10948 172.2441 7.206707 
15.35817       12.41524 
1 1 1 -7  14 15 o 280.5718 4.556140 801.3652       25.99516  759.7904       
36.35706  844.8486       37.18224  273.0225 6.548456 287.9208 6.350548 
-14.89825      9.122046 
1 1 1 -7  14 16 o 111.9331 6.714686 128.2579       15.21332  130.3738       
21.74644  126.2297       21.29057  112.4628 9.600826 110.6559 9.555251 
1.806877       13.54543 
1 1 1 -7  14 17 o 221.5350 6.799390 500.9865       30.63119  500.9865       
30.63119  0.000000       0.000000  221.5350 6.799390 ?        ?        
0.000000       6.799390 
1 1 1 -7  14 18 o 126.5404 6.479331 163.9054       16.61697  157.2121       
23.44868  170.6576       23.55154  123.4597 9.410773 128.7256 9.054763 
-5.265938      13.05953 
1 1 1 -7  14 19 o 257.6917 5.000250 677.0859       26.20255  758.8535       
37.88153  602.0769       36.28219  272.4758 6.836726 242.6030 7.354377 
29.87274       10.04130 
1 1 1 -7  14 20 o 168.4194 8.601565 291.8843       29.36096  0.000000       
0.000000  291.8843       29.36096  ?        ?        168.4194 8.601565 
0.000000       8.601565 
1 1 1 -7  14 21 o 41.19242 15.34715 13.98527       17.21764  18.06484       
25.54180  10.58753       23.30982  48.39217 18.54326 43.31484 17.37320 
5.077332       25.41025 
1 1 1 -7  14 22 f 113.1752 8.786014 132.5921       20.06212  111.5909       
28.62019  152.8806       28.13041  102.2803 14.13839 120.8198 11.59179 
-18.53954      18.28288 
1 1 1 -7  14 23 o 82.78518 11.91381 73.00214       19.47877  77.98817       
29.57146  69.18069       25.88869  83.50928 17.94784 78.99271 16.64182 
4.516571       24.47601 
1 1 1 -7  14 24 o 58.88068 16.19838 39.06134       20.00300  25.29697       
27.01548  55.76479       29.76033  51.58656 19.22329 69.23300 20.01003 
-17.64644      27.74772 
1 1 1 -7  14 25 o 49.08430 17.28102 25.78004       21.42170  -11.03094      
35.85653  46.21078       26.71293  41.91742 19.09340 62.28896 19.19270 
-20.37154      27.07245 
1 1 1 -7  15 1  f 912.7537 9.027030 8486.678       167.5521  8294.446       
285.8432  8587.300       206.8061  900.6915 15.60631 917.7158 11.08163 
-17.02429      19.14052 
1 1 1 -7  15 2  o 418.8150 4.301436 1784.258       36.63424  1809.962       
52.32010  1759.535       51.31189  421.7267 6.100789 415.8124 6.068329 
5.914337       8.604896 
1 1 1 -7  15 3  o 241.0068 3.475513 590.7554       17.03333  605.0978       
24.28696  576.8716       23.89534  243.8795 4.897185 238.1223 4.934711 
5.757156       6.952251 
1 1 1 -7  15 4  o 435.2274 4.421414 1926.897       39.13171  1903.181       
54.74066  1951.682       55.96071  432.4408 6.224895 437.9124 6.284120 
-5.471680      8.845308 
1 1 1 -7  15 5  o 660.8895 5.941218 4444.611       79.84647  4455.590       
113.2258  4433.750       112.6166  661.4333 8.417979 659.8134 8.393246 
1.619934       11.88734 
1 1 1 -7  15 6  f 578.2420 5.390164 3401.860       63.38158  3356.137       
88.72458  3449.509       90.57422  574.1630 7.599015 582.0901 7.651788 
-7.927124      10.78401 
1 1 1 -7  15 7  o 916.6836 7.861017 8554.870       146.5378  8534.919       
206.8374  8574.976       207.6363  915.0322 11.11581 917.1735 11.13270 
-2.141235      15.73208 
1 1 1 -7  15 8  o 527.6630 5.123713 2832.442       54.97850  2794.943       
76.99984  2871.441       78.52530  524.0236 7.225826 531.1431 7.270204 
-7.119507      10.25029 
1 1 1 -7  15 9  o 123.6259 5.589604 155.4934       14.05213  152.3913       
16.92930  162.3650       25.19690  122.1765 6.841469 125.8543 9.925834 
-3.677795      12.05520 
1 1 1 -7  15 10 o 813.1429 7.152035 6730.269       118.2627  6708.491       
166.7043  6752.334       167.7986  811.3828 10.10345 814.0239 10.13677 
-2.641174      14.31202 
1 1 1 -7  15 11 o 146.0680 5.767469 217.1155       17.13136  203.1685       
21.28830  242.7447       28.85818  141.0637 7.447600 154.0728 9.253565 
-13.00909      11.87835 
1 1 1 -7  15 12 o 189.2554 4.652359 364.4167       17.90494  347.3073       
25.38566  381.3541       25.25764  184.6929 6.759068 193.5471 6.417335 
-8.854172      9.320257 
1 1 1 -7  15 13 o 342.4287 5.177842 1193.434       36.05540  1196.979       
62.60065  1191.675       44.10563  342.5907 8.985699 342.0905 6.340180 
0.5002747      10.99730 
1 1 1 -7  15 14 o 372.0517 5.403478 1409.427       40.88161  1369.897       
70.80858  1429.192       50.06971  366.2550 9.507163 374.5242 6.574213 
-8.269196      11.55882 
1 1 1 -7  15 15 o 277.9670 4.600259 786.6415       26.00321  762.7028       
36.24814  812.0219       37.32362  273.5246 6.516853 282.2312 6.503202 
-8.706604      9.206574 
1 1 1 -7  15 16 o 256.5009 4.651564 670.0601       24.26271  681.9395       
34.77449  658.7915       33.86875  258.5476 6.614070 254.1293 6.553798 
4.418350       9.311186 
1 1 1 -7  15 17 o 388.0976 4.846997 1534.689       38.25297  1572.325       
54.60959  1498.431       53.60026  392.4166 6.843373 383.0757 6.880673 
9.340881       9.704402 
1 1 1 -7  15 18 o 109.6973 7.086882 123.4875       15.72441  91.95180       
21.94919  156.7374       22.53783  93.72945 11.77565 123.3176 9.050653 
-29.58813      14.85194 
1 1 1 -7  15 19 o 181.5301 5.488020 336.2421       20.25890  388.7480       
29.53903  289.6112       27.83744  194.8998 7.453039 168.1174 8.142637 
26.78242       11.03858 
1 1 1 -7  15 20 o 51.45516 18.09708 25.30502       23.48725  0.000000       
0.000000  25.30502       23.48725  ?        ?        51.45516 18.09708 
0.000000       18.09708 
1 1 1 -7  15 21 o 58.32957 14.78405 37.03402       17.55890  35.30401       
25.61563  38.56742       24.11620  58.07200 18.90932 59.83685 18.19915 
-1.764854      26.24446 
1 1 1 -7  15 22 o 50.68958 15.86603 27.16633       18.17433  29.35193       
26.19946  25.13907       25.23256  54.53635 19.11720 51.80006 18.69775 
2.736286       26.74085 
1 1 1 -7  15 23 o 78.72138 12.20463 66.37714       18.90501  48.60911       
28.37445  80.56108       25.35164  65.77476 19.68167 85.87204 15.06740 
-20.09728      24.78698 
1 1 1 -7  15 24 o 35.97375 15.14444 3.762493       18.86442  38.84139       
27.11392  -29.14937      26.26307  58.92494 19.46753 31.46890 14.97507 
27.45604       24.56089 
1 1 1 -7  15 25 o 178.1157 7.670906 330.4535       27.78436  321.0126       
48.53991  335.0541       33.88448  170.3100 14.14342 178.0773 9.390291 
-7.767227      16.97686 
1 1 1 -7  16 1  o 430.1409 5.156242 1882.347       45.10197  1850.897       
79.39976  1897.328       54.80169  426.2612 9.159925 431.7900 6.241227 
-5.528809      11.08409 
1 1 1 -7  16 2  o 543.0508 5.102021 3000.268       56.34224  2875.618       
76.97941  3144.085       82.68626  531.5007 7.122284 555.7398 7.316619 
-24.23914      10.21077 
1 1 1 -7  16 3  o 703.2188 6.227328 5032.597       89.05199  4979.075       
124.8537  5088.021       127.0522  699.1595 8.781600 706.7587 8.840147 
-7.599243      12.46053 
1 1 1 -7  16 4  o 695.9630 6.181706 4929.177       87.48748  4889.924       
122.9290  4969.465       124.5386  692.8853 8.724524 698.4918 8.767814 
-5.606567      12.36899 
1 1 1 -7  16 5  o 389.5625 4.173773 1543.633       33.06415  1481.899       
45.62279  1611.929       47.98623  381.6205 5.878935 398.0087 5.928881 
-16.38812      8.349462 
1 1 1 -7  16 6  o 523.9000 5.025694 2792.236       53.54215  2775.689       
75.42701  2809.042       76.01651  522.2051 7.102878 525.3322 7.115780 
-3.127014      10.05411 
1 1 1 -7  16 7  o 924.3285 7.918786 8698.245       148.8457  8700.985       
210.4993  8695.504       210.5000  923.8805 11.20426 923.5887 11.20784 
0.2918091      15.84775 
1 1 1 -7  16 8  o 656.9125 5.977051 4390.872       79.84466  4336.000       
111.7259  4448.148       114.1479  652.5627 8.419378 660.9396 8.492874 
-8.376892      11.95888 
1 1 1 -7  16 9  o 488.6263 5.702040 2429.241       56.65765  2466.685       
69.89394  2357.483       96.75670  492.2942 6.981736 481.0269 9.891458 
11.26727       12.10725 
1 1 1 -7  16 10 o 236.0133 4.136223 566.5862       19.85143  568.7466       
28.10551  564.4354       28.04293  236.4162 5.846054 235.5182 5.855278 
0.8980408      8.274093 
1 1 1 -7  16 11 o 100.6595 7.522881 103.7534       15.28762  129.3947       
19.58430  63.75791       24.45928  112.3674 8.636810 77.50976 16.04646 
34.85769       18.22316 
1 1 1 -7  16 12 o 189.6687 4.655754 366.0314       17.95713  376.8939       
25.92183  356.0089       24.89946  192.3931 6.625594 186.9896 6.548188 
5.403458       9.315432 
1 1 1 -7  16 13 o 456.4440 5.690253 2121.160       52.81661  2128.510       
91.47539  2117.485       64.68887  456.6289 9.851206 455.8959 6.977703 
0.7330627      12.07206 
1 1 1 -7  16 14 o 113.7388 7.830979 132.5789       18.00204  125.6795       
31.89871  135.8032       21.80650  109.6183 14.67854 114.9225 9.413615 
-5.304245      17.43777 
1 1 1 -7  16 15 o 253.1862 4.549018 652.6760       23.42120  646.7270       
33.35852  658.4596       32.89158  251.8484 6.513525 254.1387 6.364474 
-2.290314      9.106730 
1 1 1 -7  16 16 o 319.1870 4.596419 1037.651       29.83433  1062.078       
42.66272  1014.274       41.73674  322.6472 6.502333 315.3014 6.509405 
7.345825       9.200690 
1 1 1 -7  16 17 o 254.5680 4.697015 660.2875       24.31516  621.2417       
33.30737  704.8397       35.57856  246.6705 6.640054 262.7405 6.659012 
-16.06999      9.403869 
1 1 1 -7  16 18 o 68.61324 10.93857 49.63667       14.74980  80.09213       
20.66862  18.03040       21.05550  87.31364 11.95464 46.14342 17.01490 
41.17021       20.79472 
1 1 1 -7  16 19 o 165.2280 5.706660 278.6899       19.17419  294.8833       
27.13911  262.5505       27.09375  169.6568 7.866343 159.7940 8.367006 
9.862793       11.48417 
1 1 1 -7  16 20 o 76.74982 16.20493 64.21285       24.49791  0.000000       
0.000000  64.21285       24.49791  ?        ?        76.74982 16.20493 
0.000000       16.20493 
1 1 1 -7  16 21 o 103.0481 9.102063 110.1265       18.87745  111.5121       
27.08783  108.8182       26.32212  102.5901 13.29708 101.3923 13.07063 
1.197807       18.64547 
1 1 1 -7  16 22 o 63.83656 13.99897 44.40513       17.67221  52.62565       
26.45943  37.78479       23.74492  68.71523 18.51728 59.00087 18.08109 
9.714363       25.88079 
1 1 1 -7  16 23 f 94.53584 9.981943 93.87331       18.89930  107.2041       
27.78222  82.39050       25.78471  99.61336 14.10960 86.70564 15.17681 
12.90771       20.72237 
1 1 1 -7  16 24 o 55.31242 17.57251 34.30339       22.21790  43.59095       
27.23368  15.81972       38.41933  61.52500 19.44552 51.98839 21.73244 
9.536613       29.16208 
1 1 1 -7  16 25 f 52.05714 17.30563 30.93825       21.41404  57.08755       
38.97257  19.62913       25.62969  67.07806 23.32726 46.82256 18.39827 
20.25550       29.70955 
1 1 1 -7  17 1  o 86.59757 4.680382 76.50818       8.211508  85.89508       
21.29190  74.86806       8.900018  91.02259 11.77938 85.63158 5.134699 
5.391014       12.84986 
1 1 1 -7  17 2  o 536.5538 5.058972 2928.837       55.19847  2896.726       
77.32405  2962.205       78.82236  533.4549 7.127963 539.4454 7.185393 
-5.990540      10.12115 
1 1 1 -7  17 3  o 497.8690 4.801319 2521.601       48.61016  2484.542       
67.92915  2560.496       69.59128  494.0714 6.761065 501.5619 6.823055 
-7.490448      9.605523 
1 1 1 -7  17 4  o 608.2042 5.556638 3763.732       68.72472  3753.921       
96.88127  3773.670       97.50459  607.2037 7.846103 608.7956 7.875935 
-1.591919      11.11718 
1 1 1 -7  17 5  o 150.7259 3.654329 231.0592       11.20075  204.1545       
15.36326  261.5854       16.36462  141.6559 5.333316 160.3531 5.018537 
-18.69720      7.323249 
1 1 1 -7  17 6  o 317.4153 3.863225 1024.741       24.93614  984.0364       
34.44650  1069.559       36.14484  310.9988 5.446717 324.2304 5.482027 
-13.23157      7.727829 
1 1 1 -7  17 7  o 569.2815 5.352832 3297.116       61.96724  3267.691       
86.99798  3327.419       88.28603  566.5685 7.551014 571.7192 7.593776 
-5.150696      10.70903 
1 1 1 -7  17 8  o 125.5158 4.608624 160.2553       11.76308  159.6184       
16.74285  160.8760       16.53021  125.0625 6.606854 125.5632 6.496110 
-0.5007706     9.265526 
1 1 1 -7  17 9  o 408.6563 5.231560 1699.035       43.47513  1683.381       
52.62687  1732.676       77.14902  406.7101 6.363136 412.4198 9.198976 
-5.709778      11.18529 
1 1 1 -7  17 10 o 203.3959 4.294600 420.8301       17.76300  418.9232       
25.30296  422.6830       24.94229  202.8858 6.132931 203.7978 6.018462 
-0.9119415     8.592714 
1 1 1 -7  17 11 o 507.8698 5.923799 2625.262       61.17924  2622.247       
75.19408  2631.167       105.2274  507.4443 7.286918 507.9301 10.18764 
-0.4858398     12.52546 
1 1 1 -7  17 12 o 266.9197 4.341693 724.8938       23.56628  730.0209       
33.83648  720.0638       32.84131  267.7677 6.214062 265.9436 6.072667 
1.824127       8.688604 
1 1 1 -7  17 13 f 536.4742 6.206800 2931.393       67.71238  3125.293       
122.5238  2846.132       81.24685  552.9343 10.89671 528.3929 7.561329 
24.54138       13.26318 
1 1 1 -7  17 14 o 397.6183 5.494827 1610.300       44.42955  1473.277       
73.61891  1688.797       55.72098  379.6646 9.535378 407.0178 6.732153 
-27.35321      11.67242 
1 1 1 -7  17 15 o 210.0731 4.732626 449.4236       20.21734  471.8316       
29.01715  428.2834       28.18431  215.0809 6.634398 204.9025 6.764082 
10.17847       9.474600 
1 1 1 -7  17 16 o 88.43532 8.023092 80.60428       14.27138  84.21927       
19.50944  76.44328       20.93102  89.91858 10.89166 85.28712 12.43430 
4.631454       16.52997 
1 1 1 -7  17 17 o 299.7529 4.696260 915.5823       28.62642  982.3132       
41.59298  855.5232       39.45900  310.1555 6.594609 289.4271 6.704331 
20.72849       9.404091 
1 1 1 -7  17 18 f 120.4344 6.672502 148.6635       16.27763  144.9585       
23.05481  152.3463       22.98543  118.4002 9.659596 121.4552 9.379133 
-3.055016      13.46388 
1 1 1 -7  17 19 o 173.8838 5.578783 308.6561       19.72649  320.9777       
28.21015  296.8660       27.59497  176.9771 7.838569 170.1769 7.974031 
6.800247       11.18161 
1 1 1 -7  17 20 o 166.0961 8.608721 284.2226       28.97723  0.000000       
0.000000  284.2226       28.97723  ?        ?        166.0961 8.608721 
0.000000       8.608721 
1 1 1 -7  17 21 o 64.57541 13.73183 45.19435       17.47723  62.96622       
24.22633  25.90756       25.23776  75.83138 16.20219 52.32650 18.72111 
23.50488       24.75865 
1 1 1 -7  17 22 o 113.1519 8.885753 132.8510       20.28152  131.7801       
29.09083  133.8638       28.29070  111.4084 13.09015 112.4726 12.58502 
-1.064262      18.15859 
1 1 1 -7  17 23 o 107.4855 9.177054 120.6732       19.86655  133.8045       
29.02973  109.1059       27.24611  111.7922 13.01319 100.5472 13.68068 
11.24496       18.88132 
1 1 1 -7  17 24 o 116.3508 10.21332 143.4896       23.92056  153.9929       
28.70313  119.6100       43.27921  119.6862 11.95313 99.16483 22.03417 
20.52133       25.06755 
1 1 1 -7  17 25 o 55.49500 17.03111 36.33348       21.05860  26.23886       
35.28848  41.91658       26.24376  52.83068 21.31027 58.93925 19.13723 
-6.108570      28.64195 
1 1 1 -7  18 1  o 231.1824 3.523453 543.5626       16.56436  589.8530       
37.92995  532.6538       18.41297  240.6990 7.749194 228.8427 3.956721 
11.85634       8.700900 
1 1 1 -7  18 2  o 828.4854 7.156844 6986.846       120.5752  6657.313       
162.8556  7386.632       179.3772  808.2941 9.907904 851.3326 10.36136 
-43.03851      14.33612 
1 1 1 -7  18 3  o 106.2128 3.814100 114.7399       8.237971  96.96671       
11.25363  135.2599       12.09200  97.45467 5.703424 115.3045 5.157040 
-17.84983      7.689220 
1 1 1 -7  18 4  o 495.7178 4.792303 2499.823       48.30923  2505.078       
68.33478  2494.573       68.30437  496.1139 6.773435 495.0718 6.784673 
1.042084       9.587033 
1 1 1 -7  18 5  o 278.2187 3.660063 787.2629       20.70743  771.4999       
28.95381  803.7677       29.62726  275.3796 5.170381 281.0791 5.183362 
-5.699432      7.321208 
1 1 1 -7  18 6  o 339.4520 3.974753 1171.993       27.43721  1108.682       
37.53984  1244.597       40.20082  330.1015 5.592340 349.7479 5.652341 
-19.64642      7.951303 
1 1 1 -7  18 7  o 692.0341 6.201071 4873.429       87.26611  4880.973       
123.5752  4865.924       123.2513  692.2829 8.778012 691.2161 8.768519 
1.066772       12.40727 
1 1 1 -7  18 8  o 296.0601 4.656973 891.6405       28.03722  821.7379       
48.45382  926.8265       34.37685  284.0648 8.388013 301.8127 5.601148 
-17.74789      10.08621 
1 1 1 -7  18 9  o 290.9498 4.064229 861.0540       24.04626  846.4714       
33.52497  876.5056       34.50951  288.4195 5.716002 293.4890 5.782232 
-5.069519      8.130614 
1 1 1 -7  18 10 o 266.2147 4.738809 721.0286       25.65385  723.1260       
31.72852  717.0687       43.59652  266.5585 5.853369 265.3271 8.080140 
1.231415       9.977505 
1 1 1 -7  18 11 o 112.2725 6.026044 128.6833       13.70778  128.2368       
19.25952  129.1418       19.51446  111.8495 8.531951 112.2375 8.615768 
-0.3879547     12.12541 
1 1 1 -7  18 12 o 478.8605 5.027516 2333.841       48.95690  2386.020       
70.48785  2285.212       68.04763  483.9364 7.162663 473.6160 7.065376 
10.32047       10.06098 
1 1 1 -7  18 13 o 561.3337 6.363861 3210.245       72.64290  3136.505       
123.0083  3249.734       90.01609  553.7662 10.92337 564.4813 7.841862 
-10.71515      13.44674 
1 1 1 -7  18 14 o 238.3997 5.323128 578.9024       25.80620  571.4213       
45.47873  582.4551       31.34032  236.4014 9.460343 239.0309 6.447598 
-2.629562      11.44856 
1 1 1 -7  18 15 o 175.2054 4.996803 312.7152       17.80292  351.3269       
25.60303  276.5699       24.77180  185.5573 6.785186 164.5809 7.401618 
20.97639       10.04105 
1 1 1 -7  18 16 o 178.6216 5.025168 325.1538       18.25307  354.5787       
26.20343  297.4164       25.44095  186.3375 6.915227 170.6118 7.332850 
15.72568       10.07924 
1 1 1 -7  18 17 o 103.3850 7.300458 109.8166       15.24960  125.0555       
21.03308  92.92834       22.14201  109.9880 9.497003 94.21282 11.81729 
15.77521       15.16052 
1 1 1 -7  18 18 o 202.4639 5.882263 418.4973       24.21829  390.8862       
29.17591  479.6764       43.42942  195.4488 7.340741 215.9548 9.889398 
-20.50595      12.31611 
1 1 1 -7  18 19 o 280.8547 4.899255 804.6179       27.98100  793.9867       
39.41375  815.4206       39.73037  278.5359 6.958490 282.2803 6.921348 
-3.744324      9.814563 
1 1 1 -7  18 20 o 118.1871 10.71331 145.5724       25.46827  0.000000       
0.000000  145.5724       25.46827  ?        ?        118.1871 10.71331 
0.000000       10.71331 
1 1 1 -7  18 21 o 39.34136 15.26919 10.90328       17.48092  41.76171       
24.38499  -21.72069      25.07286  61.77868 18.18746 32.82280 15.30783 
28.95589       23.77212 
1 1 1 -7  18 22 o 91.94282 10.38363 88.80497       19.07401  113.3388       
27.96059  67.45007       26.08628  102.9014 13.70270 77.93390 16.94337 
24.96748       21.79086 
1 1 1 -7  18 23 o 99.78185 9.859232 104.7083       19.74368  62.78036       
27.98487  146.2602       27.85912  73.95601 18.62007 117.2936 11.84210 
-43.33761      22.06677 
1 1 1 -7  18 24 o 31.51994 14.43748 -11.14478      20.87479  -2.404571      
25.42393  -29.22766      36.56922  38.03430 16.78828 38.38425 18.08705 
-0.3499565     24.67768 
1 1 1 -7  18 25 o 79.44700 14.02322 71.86407       21.82739  84.07713       
39.32465  66.42597       26.24074  79.39760 23.01737 74.09621 17.66456 
5.301392       29.01441 
1 1 1 -7  19 1  o 350.9320 4.654081 1252.796       33.21302  1181.887       
58.15115  1287.127       40.46194  340.6676 8.394137 355.6690 5.594345 
-15.00146      10.08753 
1 1 1 -7  19 2  o 348.6089 3.903835 1236.080       27.67460  1201.028       
38.47113  1273.673       39.84037  343.5723 5.506370 353.8091 5.537362 
-10.23679      7.809129 
1 1 1 -7  19 3  o 207.5902 3.384937 438.2745       14.28923  471.5825       
20.66962  407.7842       19.77604  215.3080 4.720859 200.2120 4.857330 
15.09598       6.773490 
1 1 1 -7  19 4  o 180.5537 3.422384 331.5487       12.56570  317.2695       
17.36115  347.2590       18.21042  176.6001 4.834328 184.7578 4.846919 
-8.157776      6.845681 
1 1 1 -7  19 5  o 386.1072 4.144933 1516.358       32.54445  1557.312       
46.77921  1477.944       45.30575  391.2114 5.880170 381.1138 5.845844 
10.09763       8.291579 
1 1 1 -7  19 6  o 570.2206 5.321771 3308.104       61.70928  3341.130       
87.98345  3276.128       86.57382  572.8781 7.552442 567.2825 7.504742 
5.595520       10.64709 
1 1 1 -7  19 7  o 97.19872 4.981663 96.36610       9.813513  94.78065       
13.69328  98.04027       14.07124  96.23830 7.045919 97.88136 7.118114 
-1.643059      10.01561 
1 1 1 -7  19 8  o 113.2133 6.016801 130.8021       13.80233  125.3775       
26.45511  132.8309       16.17879  110.2109 11.99795 114.0165 7.011928 
-3.805595      13.89669 
1 1 1 -7  19 9  f 217.4315 4.054071 480.9002       17.92526  471.1000       
24.84602  491.5381       25.88625  215.1598 5.678639 219.7737 5.792180 
-4.613892      8.111491 
1 1 1 -7  19 10 o 285.4671 4.751268 829.1424       27.58144  834.4439       
34.18256  819.2504       46.69228  286.3270 5.870714 283.5755 8.097016 
2.751526       10.00135 
1 1 1 -7  19 11 o 377.0071 4.502890 1446.219       34.52171  1481.557       
49.51067  1412.783       48.15949  381.4465 6.382837 372.4901 6.357931 
8.956390       9.009100 
1 1 1 -7  19 12 o 287.8874 4.364644 843.3928       25.55188  829.6907       
36.26114  856.9070       36.01179  285.4143 6.247617 290.0689 6.105091 
-4.654602      8.735265 
1 1 1 -7  19 13 o 162.1136 5.044230 267.5889       16.62898  247.0215       
23.50266  288.2063       23.53123  155.6318 7.426210 168.1418 6.882045 
-12.50993      10.12478 
1 1 1 -7  19 14 o 158.0327 6.149880 254.5888       19.76355  221.9432       
35.24750  269.5589       23.86863  146.5597 11.93020 162.5330 7.221620 
-15.97325      13.94566 
1 1 1 -7  19 15 o 253.1734 4.541478 652.8281       23.38120  635.7523       
32.84891  670.3629       33.28747  249.6212 6.471248 256.3376 6.385826 
-6.716324      9.091525 
1 1 1 -7  19 16 o 122.3091 6.262468 153.0784       15.52376  166.4897       
21.25866  137.7570       22.72216  127.2792 8.258078 115.4631 9.768954 
11.81613       12.79173 
1 1 1 -7  19 17 o 125.3397 6.128791 160.3954       15.62121  164.0662       
21.36483  156.1787       22.89827  126.2708 8.367837 123.0262 9.219840 
3.244598       12.45095 
1 1 1 -7  19 18 o 197.0819 5.933738 396.6622       23.78081  395.7178       
28.95047  398.6213       41.69817  196.6369 7.240011 196.3914 10.47889 
0.2454376      12.73675 
1 1 1 -7  19 19 o 265.6658 6.939091 722.5126       37.48777  722.5126       
37.48777  0.000000       0.000000  265.6658 6.939091 ?        ?        
0.000000       6.939091 
1 1 1 -7  19 20 f 98.84209 10.73510 102.2324       21.23051  129.8170       
38.02597  89.73956       25.59039  109.1609 17.73922 91.54745 14.20652 
17.61349       22.72675 
1 1 1 -7  19 21 o 99.37428 9.260720 102.7226       18.49862  97.59805       
25.92517  108.0380       26.40340  95.56493 13.73522 100.8110 13.19637 
-5.246109      19.04733 
1 1 1 -7  19 22 o 146.9708 7.079148 221.9353       21.15746  218.9849       
30.42640  224.6975       29.44030  144.7730 10.40441 146.8364 9.917687 
-2.063385      14.37401 
1 1 1 -7  19 23 o 111.1208 9.076032 129.2287       20.32985  100.4196       
29.31041  155.9378       28.22197  95.15874 15.69402 121.0919 11.60303 
-25.93311      19.51750 
1 1 1 -7  19 24 o 118.8071 9.834674 149.8843       23.54676  167.4003       
29.13322  116.8843       39.98788  124.5723 11.63518 97.99690 20.71426 
26.57539       23.75832 
1 1 1 -7  19 25 o 97.69334 12.00550 105.5183       23.34852  10.90993       
42.79140  145.6256       27.86145  49.66364 21.85734 114.8627 12.11069 
-65.19910      24.98824 
1 1 1 -7  20 1  o 457.2645 4.553778 2127.015       42.34389  2186.448       
89.64984  2109.949       48.04031  463.2246 9.517140 455.3929 5.187619 
7.831665       10.83916 
1 1 1 -7  20 2  o 234.1553 4.157986 557.7048       19.79878  479.0304       
35.89885  592.0959       23.73487  216.8882 8.139414 241.2498 4.838028 
-24.36156      9.468716 
1 1 1 -7  20 3  o 406.6334 4.227748 1681.924       34.95936  1689.287       
49.53782  1674.620       49.34277  407.4385 5.978930 405.6657 5.981413 
1.772797       8.457240 
1 1 1 -7  20 4  o 93.96032 4.118437 89.80063       7.869160  109.6357       
10.95708  68.67247       11.30859  103.6771 5.213718 81.85203 6.857219 
21.82510       8.614192 
1 1 1 -7  20 5  o 473.3063 4.671809 2278.893       44.96544  2271.525       
63.34779  2286.375       63.83648  472.4230 6.594000 473.9627 6.623284 
-1.539642      9.346054 
1 1 1 -7  20 6  o 194.1705 3.644653 383.4619       14.39099  405.3040       
20.64662  362.8238       20.06952  199.5946 5.086849 188.8421 5.226208 
10.75244       7.293098 
1 1 1 -7  20 7  o 397.1398 4.311342 1604.367       34.81828  1557.657       
48.28539  1654.966       50.25460  391.2293 6.069221 403.2610 6.128273 
-12.03168      8.625031 
1 1 1 -7  20 8  o 401.2554 5.138477 1638.186       41.92825  1676.195       
75.39191  1621.166       50.44968  405.5807 9.141047 399.1017 6.216178 
6.479065       11.05439 
1 1 1 -7  20 9  o 343.0535 4.233027 1197.214       29.53006  1192.606       
41.74124  1201.832       41.78242  342.3027 5.996580 343.6253 5.979393 
-1.322601      8.468301 
1 1 1 -7  20 10 o 143.2681 5.582253 208.9164       16.26337  197.8085       
19.97914  230.7328       27.99971  139.1838 7.082277 150.1478 9.214839 
-10.96394      11.62204 
1 1 1 -7  20 11 o 496.9348 5.077863 2513.419       51.31352  2488.486       
72.10439  2539.005       73.04124  494.2119 7.174590 499.2003 7.195183 
-4.988434      10.16097 
1 1 1 -7  20 12 o 130.2646 6.397179 172.8807       16.94596  200.3915       
28.62668  158.0397       21.02570  139.6715 10.14820 124.1798 8.375148 
15.49171       13.15785 
1 1 1 -7  20 13 o 353.7003 4.494758 1273.583       32.32906  1233.695       
45.21306  1315.312       46.24480  347.8986 6.390868 359.2306 6.330503 
-11.33197      8.995468 
1 1 1 -7  20 14 o 416.3242 5.556832 1766.389       47.04467  1657.937       
79.72417  1824.328       58.27153  402.3811 9.743187 422.8599 6.776547 
-20.47879      11.86808 
1 1 1 -7  20 15 o 161.6132 5.125265 266.1900       16.84397  244.6643       
23.86156  287.5699       23.78060  154.7259 7.583755 167.8116 6.968660 
-13.08572      10.29930 
1 1 1 -7  20 16 o 180.8354 5.040107 333.3705       18.53423  356.5404       
25.85098  308.8620       26.58725  186.8129 6.804854 173.7820 7.523453 
13.03090       10.14438 
1 1 1 -7  20 17 f 181.4274 5.060999 335.6770       18.67199  342.5830       
26.19648  328.5454       26.62099  183.0299 7.038329 179.2010 7.305200 
3.828827       10.14416 
1 1 1 -7  20 18 o 89.13065 9.937573 82.79883       17.70523  76.66406       
21.38379  96.17305       31.57329  85.04502 12.75831 94.14204 17.12323 
-9.097015      21.35367 
1 1 1 -7  20 19 o 168.6427 5.822678 290.6326       19.96833  335.7602       
29.50721  252.5051       27.12227  180.8556 8.023150 156.5117 8.554121 
24.34381       11.72791 
1 1 1 -7  20 20 o 46.89409 16.30587 21.33488       19.04199  36.85197       
35.61048  15.12129       22.53429  61.53732 22.21251 44.99736 17.37202 
16.53996       28.19899 
1 1 1 -7  20 21 o 153.6190 6.786559 241.9460       21.20049  258.5108       
29.25290  223.6203       30.76853  158.0074 9.143243 146.5281 10.39349 
11.47928       13.84281 
1 1 1 -7  20 22 o 124.0157 7.975303 159.2453       20.00627  205.2307       
29.44147  119.7946       27.26949  140.0120 10.41506 105.8716 12.93521 
34.14040       16.60702 
1 1 1 -7  20 23 o 84.03821 11.34772 75.78094       18.89674  59.06306       
26.53736  92.97758       26.91467  71.38751 18.21935 91.61723 14.96305 
-20.22971      23.57620 
1 1 1 -7  20 24 o 32.10376 14.57452 -8.220541      20.67174  -1.109480      
24.77635  -24.50977      37.49906  37.70780 16.61225 39.49778 18.51800 
-1.789982      24.87736 
1 1 1 -7  21 1  o 362.2813 4.719958 1335.243       34.77246  1298.855       
62.17480  1351.805       41.94579  357.0781 8.562486 364.4758 5.659372 
-7.397705      10.26375 
1 1 1 -7  21 2  o 397.3696 4.907507 1606.458       39.65582  1603.201       
71.18487  1607.924       47.75179  396.7028 8.824113 397.4977 5.907498 
-0.7949524     10.61902 
1 1 1 -7  21 3  o 473.2919 4.637022 2278.805       44.62926  2249.120       
62.46112  2309.766       63.79048  470.0779 6.534142 476.3695 6.585071 
-6.291626      9.276754 
1 1 1 -7  21 4  o 245.3432 3.512345 612.2087       17.52357  603.6889       
24.51956  621.1034       25.05320  243.5941 4.949877 247.0815 4.986221 
-3.487411      7.025930 
1 1 1 -7  21 5  o 453.2041 4.553480 2089.438       41.96514  2042.430       
58.29648  2139.997       60.45784  447.9661 6.399496 458.5350 6.483787 
-10.56888      9.110052 
1 1 1 -7  21 6  o 371.4390 5.840579 1404.006       44.11587  1404.006       
44.11587  0.000000       0.000000  371.4390 5.840579 ?        ?        
0.000000       5.840579 
1 1 1 -7  21 7  o 54.92222 8.405294 31.43493       9.088901  28.51090       
12.76794  34.43880       12.94111  51.81612 12.30115 57.07810 11.54598 
-5.261974      16.87092 
1 1 1 -7  21 8  o 532.9102 6.013777 2890.579       65.17077  2849.009       
113.0945  2911.245       79.74174  528.4940 10.52325 534.6754 7.334054 
-6.181396      12.82682 
1 1 1 -7  21 9  o 92.82397 6.390786 88.13829       11.98979  81.12942       
16.48894  96.00186       17.46540  88.72298 9.276292 96.62834 8.991569 
-7.905365      12.91890 
1 1 1 -7  21 10 o 239.5813 4.795057 584.1175       23.36136  582.6827       
28.88486  586.8309       39.72226  239.2322 5.937439 239.9434 8.140924 
-0.7112427     10.07610 
1 1 1 -7  21 11 o 254.0918 4.246198 656.9812       21.94028  662.5564       
31.16563  651.5032       30.89266  255.0646 6.008615 252.9282 6.006294 
2.136368       8.495824 
1 1 1 -7  21 12 o 111.9372 6.924931 128.2220       15.68568  147.6335       
26.43847  117.6779       19.48560  119.6068 10.99303 106.9640 9.043007 
12.64272       14.23456 
1 1 1 -7  21 13 o 181.7195 4.695136 336.2585       17.35007  371.8387       
25.28191  304.5845       23.85373  190.9604 6.510510 172.8088 6.787955 
18.15161       9.405481 
1 1 1 -7  21 14 o 277.8912 5.176399 786.9009       29.25189  820.3624       
53.88918  772.9229       34.82982  283.0371 9.362822 275.2784 6.221968 
7.758789       11.24168 
1 1 1 -7  21 15 o 22.64743 10.60998 -12.34700      12.27074  -16.44048      
17.07496  -7.975128      17.64603  26.88524 12.56998 30.46932 13.68225 
-3.584080      18.57978 
1 1 1 -7  21 16 o 151.0500 5.409762 232.7331       16.61691  248.7246       
23.25845  216.0599       23.74895  155.9438 7.334344 145.0316 8.084649 
10.91220       10.91578 
1 1 1 -7  21 17 o 190.1102 5.004484 368.6169       19.34711  379.7249       
26.96657  356.8344       27.77315  192.6885 6.882061 186.7199 7.314473 
5.968521       10.04312 
1 1 1 -7  21 18 o 93.79724 9.544904 91.49295       17.95226  88.20470       
20.87719  100.8239       35.16840  91.62973 11.45454 95.80122 18.72342 
-4.171486      21.94933 
1 1 1 -7  21 19 o 190.1533 5.525463 369.4024       21.36604  390.3645       
31.10130  350.6677       29.40250  195.0041 7.843021 184.8277 7.822865 
10.17638       11.07746 
1 1 1 -7  21 20 o 84.10648 12.01142 75.04050       19.96000  127.1053       
38.32910  55.66781       23.38038  107.6129 18.16161 71.04715 16.49901 
36.56573       24.53694 
1 1 1 -7  21 21 o 137.2710 7.117531 193.9668       19.80006  200.8304       
27.96290  187.0652       28.04028  138.8802 9.967554 133.8783 10.38077 
5.001953       14.39141 
1 1 1 -7  21 22 o 91.49641 10.29832 88.32607       18.82808  97.76125       
28.00810  80.54682       25.43181  94.49180 15.08319 85.56002 15.17244 
8.931778       21.39406 
1 1 1 -7  21 23 o 77.61036 12.20300 65.55831       18.62349  57.54943       
26.47651  73.40128       26.20083  70.13277 18.35229 80.18457 16.61451 
-10.05180      24.75578 
1 1 1 -7  21 24 o 43.79740 16.64557 18.25274       20.47631  45.28757       
25.74423  -28.30082      33.78271  61.07343 18.84536 36.23496 17.16740 
24.83847       25.49249 
1 1 1 -7  22 1  o 489.4902 5.564399 2438.302       55.38774  2351.031       
96.04546  2481.787       67.79668  480.2068 9.835514 493.7341 6.752489 
-13.52731      11.93036 
1 1 1 -7  22 2  o 396.0971 4.184103 1595.987       33.70198  1600.541       
71.89543  1594.705       38.15361  396.3308 8.920558 395.9115 4.738994 
0.4193115      10.10121 
1 1 1 -7  22 3  o 406.5403 4.235842 1681.258       35.01828  1680.443       
49.48056  1682.076       49.56620  406.3458 5.988079 406.5427 5.995536 
-0.1969604     8.473697 
1 1 1 -7  22 4  o 221.2251 3.448894 497.7670       15.51549  502.3710       
21.77577  493.0195       22.11255  222.2127 4.818959 220.1313 4.939756 
2.081360       6.900982 
1 1 1 -7  22 5  o 388.4032 4.193820 1534.586       33.12409  1503.568       
45.99321  1568.012       47.74496  384.3703 5.884268 392.5151 5.981633 
-8.144806      8.390741 
1 1 1 -7  22 6  o 287.5760 3.801285 841.2039       22.22975  852.5991       
31.52986  829.9412       31.34616  289.4599 5.356514 285.5861 5.397541 
3.873840       7.604320 
1 1 1 -7  22 7  o 188.0567 3.864914 359.7422       14.78019  369.0230       
20.98178  350.6006       20.82381  190.4264 5.418309 185.6093 5.517077 
4.817047       7.732801 
1 1 1 -7  22 8  o 291.6055 4.723680 865.2194       28.01094  868.3517       
50.37281  863.8172       33.70209  291.8985 8.486192 291.3218 5.688953 
0.5766907      10.21664 
1 1 1 -7  22 9  o 367.6929 4.975600 1375.887       37.20335  1381.766       
46.22586  1365.076       62.68222  368.3885 6.170602 365.9385 8.423350 
2.450012       10.44170 
1 1 1 -7  22 10 o 213.0816 4.282752 462.0076       18.55754  468.1020       
26.45541  456.1039       26.03821  214.3990 6.067926 211.6344 6.050250 
2.764557       8.568854 
1 1 1 -7  22 11 o 475.6673 4.967198 2303.413       48.04699  2297.916       
68.13523  2308.851       67.76371  474.7968 7.056876 475.9345 7.001620 
-1.137695      9.940934 
1 1 1 -7  22 12 f 504.6070 5.934999 2594.607       60.90112  2566.430       
103.5810  2609.495       75.28951  500.8078 10.17086 505.7664 7.320371 
-4.958679      12.53133 
1 1 1 -7  22 13 o 144.4653 5.231218 212.6375       15.36802  195.2856       
21.32037  231.4032       22.17195  138.0789 7.622572 150.5639 7.241551 
-12.48502      10.51398 
1 1 1 -7  22 14 o 58.31071 11.49985 36.16725       13.15163  39.66232       
19.52903  33.26670       17.79070  60.66743 15.70661 55.73146 15.25347 
4.935966       21.89443 
1 1 1 -7  22 15 o 55.47016 11.70509 32.89327       12.78841  24.76956       
17.92486  41.31495       18.25063  49.22279 15.79924 61.84722 14.72331 
-12.62443      21.59611 
1 1 1 -7  22 16 o 68.79438 10.17977 49.71567       13.81108  84.21296       
19.09178  11.84387       20.00377  89.80716 10.66234 41.86905 16.31055 
47.93811       19.48639 
1 1 1 -7  22 17 o 164.5515 5.495445 276.4064       18.38892  286.0782       
25.27880  265.5359       26.79949  167.1308 7.437871 160.6839 8.229294 
6.446915       11.09248 
1 1 1 -7  22 18 o 82.55919 10.94429 71.69621       17.92114  76.58978       
21.30239  59.84580       33.14990  84.90456 12.73046 73.31841 21.09801 
11.58616       24.64124 
1 1 1 -7  22 19 o 170.0305 6.015805 295.7014       20.80042  279.1136       
29.57971  311.9274       29.25543  164.3897 8.881419 174.1776 8.259670 
-9.787949      12.12855 
1 1 1 -7  22 20 o 151.2706 7.773839 235.7579       23.83259  307.3030       
44.87872  207.6569       28.12623  170.8490 13.01535 141.3742 9.844842 
29.47479       16.31932 
1 1 1 -7  22 21 o 105.7050 9.246025 116.4470       19.67484  112.2054       
27.52671  120.8772       28.13202  102.3366 13.56136 106.3757 13.29525 
-4.039017      18.99142 
1 1 1 -7  22 22 o 126.8754 7.720234 166.8409       19.82390  174.9027       
28.63172  159.4176       27.47453  128.6622 11.05045 122.7639 11.12635 
5.898354       15.68146 
1 1 1 -7  22 23 o 57.34113 16.69198 37.85057       20.64276  38.36145       
24.97955  36.75028       36.65891  57.73492 18.66350 58.84717 22.29445 
-1.112251      29.07522 
1 1 1 -7  22 24 o 91.88410 11.54124 92.66788       21.08894  119.8316       
26.81886  48.65865       34.13640  103.6636 13.00870 62.11853 21.81900 
41.54502       25.40266 
1 1 1 -7  23 1  o 477.4976 4.687926 2319.872       45.52012  2332.106       
95.49876  2316.275       51.78098  478.1953 9.820666 477.0784 5.337392 
1.116943       11.17735 
1 1 1 -7  23 2  o 386.9074 4.135145 1522.855       32.53489  1529.948       
70.22569  1520.917       36.71253  387.4449 8.913220 386.6338 4.669422 
0.8110657      10.06226 
1 1 1 -7  23 3  o 434.9612 5.178096 1925.148       45.80070  2060.413       
86.19807  1871.937       54.06399  449.5734 9.428564 428.8348 6.199642 
20.73856       11.28421 
1 1 1 -7  23 4  o 221.8732 3.469085 500.7073       15.65205  462.0148       
21.23853  546.7028       23.15627  213.0907 4.901268 231.7990 4.912536 
-18.70825      6.939412 
1 1 1 -7  23 5  o 408.7466 4.301433 1699.689       35.75351  1721.568       
50.84498  1678.289       50.28586  411.2557 6.079736 406.0528 6.089926 
5.202942       8.605253 
1 1 1 -7  23 6  o 498.1171 4.892402 2524.689       49.55700  2517.015       
69.87489  2532.456       70.29535  497.1751 6.911309 498.6956 6.931698 
-1.520447      9.788495 
1 1 1 -7  23 7  o 530.8872 5.130574 2868.175       55.38851  2926.474       
79.57378  2813.380       77.14503  536.0157 7.300306 525.5668 7.218194 
10.44891       10.26629 
1 1 1 -7  23 8  o 280.6180 8.662984 802.8568       49.43499  802.8568       
49.43499  0.000000       0.000000  280.6180 8.662984 ?        ?        
0.000000       8.662984 
1 1 1 -7  23 9  o 163.5975 8.416855 273.6374       27.90642  0.000000       
0.000000  273.6374       27.90642  ?        ?        163.5975 8.416855 
0.000000       8.416855 
1 1 1 -7  23 10 o 258.0425 4.167364 677.5888       21.86775  680.1767       
31.01050  675.0291       30.84154  258.4266 5.900926 257.4475 5.891093 
0.9790649      8.338219 
1 1 1 -7  23 11 o 389.3107 4.576252 1542.898       36.22911  1514.158       
50.86540  1572.491       51.61420  385.4332 6.489660 392.7914 6.461833 
-7.358246      9.158110 
1 1 1 -7  23 12 o 335.0843 6.339501 1144.831       43.19769  1144.831       
43.19769  0.000000       0.000000  335.0843 6.339501 ?        ?        
0.000000       6.339501 
1 1 1 -7  23 13 o 190.9411 4.656246 371.3648       18.07951  375.9247       
25.78252  366.9534       25.35932  191.9354 6.605701 189.6344 6.576110 
2.300995       9.320972 
1 1 1 -7  23 14 o 178.5814 4.936397 325.0295       17.92659  356.4120       
26.10541  297.0253       24.66032  186.7968 6.872420 170.4980 7.112593 
16.29880       9.890356 
1 1 1 -7  23 15 o 107.6969 6.476902 118.9054       14.11880  130.5409       
19.85950  107.0146       20.07626  112.4973 8.749939 101.5830 9.842194 
10.91431       13.16929 
1 1 1 -7  23 16 o 94.76323 7.518283 92.51608       14.36908  91.91495       
19.52060  93.22699       21.22857  93.89550 10.39800 94.36749 11.28627 
-0.4719849     15.34595 
1 1 1 -7  23 17 o 185.9537 5.114059 352.8766       19.33846  362.5306       
26.92731  342.5937       27.79055  188.1729 7.036951 182.8447 7.474176 
5.328171       10.26557 
1 1 1 -7  23 18 o 118.3216 6.952482 143.9184       16.65493  176.5242       
23.92476  113.2600       23.19926  130.6151 9.063559 103.9670 11.14691 
26.64809       14.36669 
1 1 1 -7  23 19 o 103.7076 9.639001 112.0182       20.09536  134.1544       
33.47060  99.54140       25.12836  111.7929 15.11023 96.71670 13.11473 
15.07623       20.00788 
1 1 1 -7  23 20 o 54.03287 17.05949 31.21713       20.96466  101.4317       
38.90097  2.476741       24.88817  94.53094 20.80095 40.52471 17.24326 
54.00623       27.01868 
1 1 1 -7  23 21 o 54.39791 18.53517 30.88789       24.56135  30.88789       
24.56135  0.000000       0.000000  54.39791 18.53517 ?        ?        
0.000000       18.53517 
1 1 1 -7  23 22 f 106.4217 10.86847 120.1884       23.19062  152.0437       
28.50139  57.78272       39.89221  119.3425 11.90289 70.11327 23.62318 
49.22921       26.45248 
1 1 1 -7  23 23 o 91.16918 10.24918 89.02082       18.67218  75.58168       
27.06981  101.2188       25.78958  80.46651 17.07190 95.51785 13.66684 
-15.05135      21.86852 
1 1 1 -7  23 24 o 31.29185 13.97072 -3.505981      18.11744  -13.33019      
25.79725  6.055629       25.45013  34.03006 15.75288 40.12503 17.26347 
-6.094971      23.37051 
1 1 1 -7  24 1  o 131.1467 3.635194 174.9602       9.694743  184.3513       
28.88678  173.7682       10.29165  133.9586 10.69329 130.6950 3.872351 
3.263580       11.37285 
1 1 1 -7  24 2  o 199.3136 6.152531 404.4372       24.93689  402.2130       
35.62113  406.5749       34.92144  198.6309 8.818798 199.7180 8.598518 
-1.087051      12.31689 
1 1 1 -7  24 3  o 329.4568 8.563982 1106.288       57.37539  1106.288       
57.37539  0.000000       0.000000  329.4568 8.563982 ?        ?        
0.000000       8.563982 
1 1 1 -7  24 4  o 502.9825 4.854432 2574.329       49.65268  2623.674       
71.16827  2527.531       69.30768  507.5801 6.894938 498.1995 6.841112 
9.380676       9.712928 
1 1 1 -7  24 5  o 115.5174 4.081337 135.7560       9.587406  151.4350       
13.36660  119.1424       13.75920  121.9806 5.388637 107.9938 6.292583 
13.98676       8.284564 
1 1 1 -7  24 6  o 411.0506 4.371356 1719.109       36.53952  1735.417       
51.95884  1703.153       51.39515  412.8567 6.188831 409.0017 6.179390 
3.855011       8.745656 
1 1 1 -7  24 7  o 266.4936 3.866976 722.5021       20.95606  736.4383       
29.77194  708.8170       29.50258  268.9773 5.443021 263.8819 5.497927 
5.095398       7.736516 
1 1 1 -7  24 8  f 431.9249 6.552076 1900.239       57.54911  1770.247       
80.65227  2035.076       82.14162  416.4793 9.522954 446.6284 9.044104 
-30.14905      13.13326 
1 1 1 -7  24 9  o 295.2940 4.700736 887.5257       28.22747  858.2631       
34.61313  945.6304       48.77414  290.3015 5.863273 304.5219 7.876252 
-14.22037      9.819028 
1 1 1 -7  24 10 o 326.9186 6.074033 1088.885       40.38018  1088.885       
40.38018  0.000000       0.000000  326.9186 6.074033 ?        ?        
0.000000       6.074033 
1 1 1 -7  24 11 o 286.6222 4.834639 836.5746       28.17898  873.5306       
47.98512  817.1217       34.81424  292.4865 8.067694 283.1483 6.046324 
9.338135       10.08195 
1 1 1 -7  24 12 f 76.84663 8.133285 61.01876       12.51674  67.36306       
17.76172  54.75999       17.64157  80.25511 11.18754 71.94743 12.51216 
8.307686       16.78438 
1 1 1 -7  24 13 o 65.01123 9.632743 44.25390       12.34938  18.19324       
17.57817  69.65211       17.35332  44.45226 15.65371 81.66359 10.70770 
-37.21133      18.96559 
1 1 1 -7  24 14 o 336.7370 4.546360 1155.459       31.13193  1195.373       
44.81876  1118.245       43.27615  342.1268 6.442009 330.9078 6.431173 
11.21893       9.102717 
1 1 1 -7  24 15 o 166.6955 5.098919 283.4146       17.28436  258.6411       
23.55455  312.3172       25.44197  158.9860 7.285585 174.7249 7.160516 
-15.73891      10.21532 
1 1 1 -7  24 16 o 128.4113 6.027412 168.4744       15.73931  183.3543       
21.78262  152.2185       22.76752  133.4705 8.063382 121.3116 9.299970 
12.15891       12.30884 
1 1 1 -7  24 17 o 139.6893 6.815335 199.7872       19.35984  190.8559       
23.12656  220.7045       35.39208  136.0360 8.401104 145.2760 12.08990 
-9.239960      14.72224 
1 1 1 -7  24 18 o 60.31262 14.73809 39.79673       17.92243  40.09287       
22.08523  39.22558       30.67144  60.45819 17.16374 61.27794 20.71355 
-0.8197441     26.90065 
1 1 1 -7  24 19 o 113.3664 10.82348 134.5854       24.64869  131.4344       
32.15265  139.0768       38.38716  110.7143 14.64021 112.8493 17.27768 
-2.135002      22.64628 
1 1 1 -7  24 20 o 110.1948 9.832445 126.7891       21.80157  142.8713       
39.97829  119.9821       26.00942  113.8575 17.85387 106.4082 12.24316 
7.449272       21.64846 
1 1 1 -7  24 21 o 71.73279 14.61708 56.77245       20.59843  37.99950       
26.62719  84.74905       32.50547  58.90573 19.28386 86.14201 19.06086 
-27.23628      27.11427 
1 1 1 -7  24 22 o 105.4792 9.015983 116.8279       19.15307  107.5747       
27.17375  125.9632       27.00015  99.09181 13.86498 108.0257 12.52332 
-8.933853      18.68345 
1 1 1 -7  24 23 o 78.42351 11.69462 67.46852       18.08001  61.81658       
26.19021  72.61431       24.98999  71.72054 17.98889 79.02452 16.09746 
-7.303986      24.13977 
1 1 1 -7  24 24 o 39.96821 15.31683 15.15906       17.42785  -1.359736      
24.33176  32.56166       24.97419  36.49521 16.24962 52.25119 18.63063 
-15.75598      24.72146 
1 1 1 -7  25 1  o 366.4817 4.045874 1366.510       30.15200  1416.256       
67.58592  1354.148       33.69055  372.6184 8.919500 364.7890 4.541664 
7.829376       10.00921 
1 1 1 -7  25 2  o 102.1157 9.112110 107.2004       18.72303  105.9666       
25.81792  108.5691       27.19223  100.9678 12.86682 102.1232 13.41876 
-1.155327      18.59081 
1 1 1 -7  25 3  o 388.4271 6.371783 1536.386       50.32942  1521.112       
70.96513  1551.844       71.38988  386.1950 9.036222 390.0816 8.999735 
-3.886597      12.75337 
1 1 1 -7  25 4  o 298.4225 3.720919 905.9604       22.58048  929.8816       
32.29072  883.0690       31.58811  302.2589 5.253481 294.5513 5.273650 
7.707672       7.443820 
1 1 1 -7  25 5  o 583.2728 5.422436 3462.997       64.31578  3479.654       
91.23199  3446.541       90.68300  584.3447 7.677620 581.5593 7.667971 
2.785339       10.85097 
1 1 1 -7  25 6  o 246.8311 3.757499 619.8209       18.86037  633.7869       
26.76264  606.0412       26.58346  249.5283 5.274213 244.0010 5.357578 
5.527344       7.518043 
1 1 1 -7  25 7  o 183.6366 3.999632 343.1137       14.93587  341.8903       
21.05257  344.3534       21.19317  183.2464 5.649607 183.9045 5.666986 
-0.6581116     8.002049 
1 1 1 -7  25 8  o 205.8829 5.750463 431.6610       24.07545  464.6391       
38.85311  411.1058       30.67423  213.3648 8.954712 200.8101 7.511671 
12.55464       11.68812 
1 1 1 -7  25 9  f 207.8912 4.149103 439.8443       17.54049  430.6780       
24.95890  448.7893       24.65588  205.6110 5.969358 209.9026 5.776320 
-4.291626      8.306570 
1 1 1 -7  25 10 o 82.00166 7.314076 69.14059       12.06842  78.45909       
16.94587  59.55006       17.19144  87.05073 9.739740 75.35887 11.58955 
11.69186       15.13870 
1 1 1 -7  25 11 o 418.3199 5.356549 1783.054       45.56643  1697.043       
74.47157  1834.523       57.60878  407.3184 8.990939 424.0638 6.680455 
-16.74539      11.20114 
1 1 1 -7  25 12 o 233.6909 4.332234 556.1788       20.58757  547.3746       
28.94175  565.1973       29.29185  231.6427 6.144049 235.3868 6.119463 
-3.744064      8.671630 
1 1 1 -7  25 13 f 147.8418 5.117770 222.8256       15.38612  243.3811       
21.84860  202.6029       21.67102  154.3372 6.961483 140.5463 7.610792 
13.79083       10.31438 
1 1 1 -7  25 14 o 209.7486 5.404236 448.8306       23.05074  482.6416       
28.75588  388.0483       38.55545  217.3413 6.506282 194.0447 9.802605 
23.29668       11.76532 
1 1 1 -7  25 15 o 132.0009 6.531693 178.1384       17.53291  170.2486       
21.14613  195.4926       31.36172  128.6023 8.127754 137.0803 11.35272 
-8.477936      13.96226 
1 1 1 -7  25 16 o 185.2958 5.124929 350.4189       19.31101  376.3494       
27.07228  323.5577       27.55387  191.7285 6.943630 177.6474 7.627328 
14.08118       10.31456 
1 1 1 -7  25 17 o 165.6114 5.432103 280.1959       18.29404  275.7722       
25.11282  285.1979       26.70375  163.9412 7.532793 166.6482 7.879892 
-2.706985      10.90118 
1 1 1 -7  25 18 o 134.6333 6.539433 185.7053       17.90376  138.9554       
24.78419  236.7261       25.89156  115.2705 10.69500 151.3994 8.443357 
-36.12894      13.62620 
1 1 1 -7  25 19 o 171.6698 6.675527 302.2014       23.30402  255.9705       
38.15280  329.7141       29.43247  156.0585 12.11731 178.9605 8.087571 
-22.90199      14.56839 
1 1 1 -7  25 20 o 121.1202 9.226497 152.7212       22.55412  168.4832       
42.01450  146.3402       26.73244  123.9320 17.12898 117.8682 11.29114 
6.063774       20.51565 
1 1 1 -7  25 21 o 64.64377 15.61125 46.89792       20.29026  58.55746       
25.14767  25.14925       34.34579  71.72758 17.41540 54.46315 21.32899 
17.26443       27.53583 
1 1 1 -7  25 22 o 160.0614 6.818125 264.7645       22.19234  269.4680       
32.36061  260.5885       30.49208  159.7138 10.01441 157.3022 9.577987 
2.411560       13.85735 
1 1 1 -7  25 23 o 63.97781 15.64646 48.18404       20.18731  29.55145       
35.99714  56.73247       24.38230  54.03238 21.61867 68.52751 17.45006 
-14.49513      27.78258 
1 1 1 -7  26 1  o 246.7359 8.647058 621.1375       43.38625  621.1375       
43.38625  0.000000       0.000000  246.7359 8.647058 ?        ?        
0.000000       8.647058 
1 1 1 -7  26 2  o 37.02242 14.76338 7.124301       16.73001  12.94356       
23.42075  1.061232       23.90635  45.21622 17.63920 40.05348 16.96514 
5.162739       24.47360 
1 1 1 -7  26 3  o 196.4669 6.255598 393.1238       24.99249  393.7268       
35.60739  392.5382       35.08778  196.4478 8.913362 196.1598 8.796189 
0.2880402      12.52282 
1 1 1 -7  26 4  o 334.1227 6.173705 1136.953       41.94723  1103.279       
58.46024  1172.689       60.22374  328.8681 8.741530 339.0561 8.734635 
-10.18796      12.35752 
1 1 1 -7  26 5  o 173.9254 3.621930 307.7495       12.81016  320.4381       
18.00683  294.7477       18.22780  177.4289 4.990701 170.1572 5.267839 
7.271622       7.256530 
1 1 1 -7  26 6  o 300.3029 5.488737 918.2078       33.51841  918.2078       
33.51841  0.000000       0.000000  300.3029 5.488737 ?        ?        
0.000000       5.488737 
1 1 1 -7  26 7  o 260.1901 4.355073 688.9867       23.04293  715.5977       
29.50632  647.3851       36.89259  265.0951 5.473461 252.0076 7.199029 
13.08743       9.043495 
1 1 1 -7  26 8  o 120.0737 7.270348 147.5561       17.66862  165.7295       
29.53519  137.4277       22.04913  126.6835 11.59341 115.5931 9.463051 
11.09035       14.96517 
1 1 1 -7  26 9  o 226.1976 5.788125 521.3255       26.62425  0.000000       
0.000000  521.3255       26.62425  ?        ?        226.1976 5.788125 
0.000000       5.788125 
1 1 1 -7  26 10 o 155.6924 5.496412 247.0046       17.40195  242.6010       
21.31606  255.8043       30.13228  154.2092 6.797440 157.8303 9.431524 
-3.621155      11.62578 
1 1 1 -7  26 11 o 346.2832 6.009669 1222.935       42.31881  1197.267       
58.33253  1251.454       61.48769  342.1394 8.384099 349.7308 8.645753 
-7.591461      12.04335 
1 1 1 -7  26 12 o 125.8746 6.386411 162.1511       16.29376  188.7450       
20.53175  116.9116       26.77894  135.6766 7.470438 105.6793 12.71624 
29.99736       14.74822 
1 1 1 -7  26 13 o 105.0168 6.338921 113.0409       13.47364  120.2266       
18.96202  105.7130       19.14856  107.9425 8.712793 101.0406 9.428344 
6.901939       12.83770 
1 1 1 -7  26 14 o 109.5400 9.595110 124.3195       21.15794  124.3195       
21.15794  0.000000       0.000000  109.5400 9.595110 ?        ?        
0.000000       9.595110 
1 1 1 -7  26 15 o 230.1164 4.579587 539.9823       21.43016  546.5425       
30.28632  533.4044       30.32736  231.1817 6.442310 228.3681 6.530518 
2.813583       9.173387 
1 1 1 -7  26 16 o 136.6274 5.837046 190.7998       16.21744  189.3365       
22.65477  192.3378       23.22574  135.5035 8.261082 136.5440 8.405446 
-1.040466      11.78546 
1 1 1 -7  26 17 o 181.0972 6.117622 335.6184       22.52920  349.0431       
27.65124  309.1079       38.85720  184.4155 7.373367 172.1779 11.15801 
12.23756       13.37414 
1 1 1 -7  26 18 o 66.79000 11.99390 47.89193       15.69139  51.41079       
21.90779  44.18505       22.48543  68.18085 16.06474 63.11520 17.09621 
5.065643       23.45967 
1 1 1 -7  26 19 o 37.14721 15.29429 5.716429       18.62695  28.60004       
30.43335  -7.991142      23.55416  55.28727 20.44240 35.50209 15.88427 
19.78518       25.88825 
1 1 1 -7  26 20 o 285.0135 7.394923 836.4897       42.85984  0.000000       
0.000000  836.4897       42.85984  ?        ?        285.0135 7.394923 
0.000000       7.394923 
1 1 1 -7  26 21 o 189.7690 8.090787 373.2039       31.22248  387.5259       
45.56347  360.5251       42.87002  191.0475 11.78554 184.4457 11.48667 
6.601883       16.45729 
1 1 1 -7  26 22 o 74.76406 12.29508 61.48433       18.04288  81.04823       
26.01518  43.35179       25.04542  84.23286 15.76729 60.58403 18.57020 
23.64883       24.36103 
1 1 1 -7  26 23 o 54.53885 15.34083 35.21667       17.72786  39.43437       
25.82002  31.45520       24.38356  56.71689 19.00572 51.94827 18.42110 
4.768620       26.46799 
1 1 1 -7  27 1  f 66.09309 17.67461 46.72334       24.21602  46.72334       
24.21602  0.000000       0.000000  66.09309 17.67461 ?        ?        
0.000000       17.67461 
1 1 1 -7  27 2  o 281.7666 8.538239 810.2374       48.92257  810.2374       
48.92257  0.000000       0.000000  281.7666 8.538239 ?        ?        
0.000000       8.538239 
1 1 1 -7  27 3  o 211.4351 6.268363 455.4311       26.95148  470.9538       
38.65886  440.7520       37.59375  214.8002 8.850399 207.7944 8.896729 
7.005829       12.54916 
1 1 1 -7  27 4  o 274.7051 6.072977 768.6861       33.92500  812.8141       
49.01739  728.1147       47.00051  282.2282 8.540797 267.1062 8.653009 
15.12198       12.15812 
1 1 1 -7  27 5  o 449.6339 4.620529 2057.833       42.24761  2080.933       
59.45643  2034.274       60.04216  451.9156 6.469789 446.7999 6.608332 
5.115662       9.248146 
1 1 1 -7  27 6  f 114.9671 4.823826 134.5575       11.27760  124.2487       
14.07368  153.0540       18.85164  110.2480 6.303650 122.2662 7.620031 
-12.01827      9.889432 
1 1 1 -7  27 7  o 80.32665 6.840826 66.25692       11.06784  59.70347       
13.87778  77.70953       18.34583  75.89892 9.177967 86.49976 10.65493 
-10.60084      14.06281 
1 1 1 -7  27 8  o 289.5055 4.604978 853.3488       27.11039  887.4690       
34.58186  798.9429       43.66825  295.1230 5.762273 279.7865 7.675165 
15.33652       9.597497 
1 1 1 -7  27 9  f 75.27912 7.354733 58.39106       11.11500  68.99188       
15.92807  48.32916       15.51791  81.51579 9.805532 67.66969 11.70018 
13.84610       15.26573 
1 1 1 -7  27 10 o 323.3320 4.847116 1065.038       31.87011  1077.036       
53.16461  1058.308       39.81754  324.5923 8.054395 322.1294 6.078447 
2.462952       10.09063 
1 1 1 -7  27 11 o 308.0750 4.293008 966.7045       26.89488  968.5519       
38.18626  964.8861       37.88572  308.0960 6.094944 307.5189 6.058321 
0.5771179      8.593695 
1 1 1 -7  27 12 o 129.4222 5.340768 170.8360       14.05607  167.6937       
19.43689  174.2808       20.35118  127.8173 7.511011 130.2786 7.716218 
-2.461250      10.76825 
1 1 1 -7  27 13 o 95.24070 6.752314 93.20093       12.99279  101.9334       
18.02094  83.74773       18.74989  99.23532 9.028934 89.56865 10.49301 
9.666672       13.84286 
1 1 1 -7  27 14 o 44.45917 12.77893 21.02711       12.16779  14.57591       
17.28423  27.36551       17.13247  41.63779 15.40369 50.78801 15.31536 
-9.150219      21.72174 
1 1 1 -7  27 15 o 126.9928 5.965434 164.8504       15.40538  158.7450       
21.27793  171.5766       22.33337  124.0016 8.489298 128.9205 8.567624 
-4.918861      12.06119 
1 1 1 -7  27 16 o 151.8990 5.641598 235.8473       17.42643  241.1974       
24.51905  230.3861       24.77230  153.0255 7.906319 149.4798 8.180554 
3.545685       11.37679 
1 1 1 -7  27 17 o 195.2698 7.114684 391.3322       28.25154  400.8784       
38.17584  379.7745       42.00561  196.9107 9.533841 190.8985 10.86558 
6.012131       14.45528 
1 1 1 -7  27 18 o 160.1711 6.699946 263.1949       21.82263  290.0550       
36.91853  248.7698       27.05519  166.5732 10.96024 155.0410 8.615258 
11.53217       13.94093 
1 1 1 -7  27 19 o 68.39210 17.01751 52.40520       23.57200  0.000000       
0.000000  52.40520       23.57200  ?        ?        68.39210 17.01751 
0.000000       17.01751 
1 1 1 -7  27 20 o 163.1800 7.476403 274.6053       24.80910  359.9889       
47.86824  243.2468       29.00932  183.9145 12.88042 152.6951 9.387947 
31.21933       15.93860 
1 1 1 -7  27 21 o 78.29438 13.52471 67.57029       20.75463  79.67255       
25.60147  44.36798       35.44844  84.22025 15.52032 62.65463 22.21160 
21.56562       27.09678 
1 1 1 -7  27 22 o 81.04027 11.05532 71.43829       17.74362  88.85298       
25.67334  55.51315       24.55083  88.43918 14.79818 68.12380 17.59774 
20.31538       22.99275 
1 1 1 -7  27 23 o 71.38231 13.08569 58.35177       18.29497  51.19668       
25.86123  65.51991       25.88479  63.39045 18.74919 72.57561 17.69798 
-9.185154      25.78276 
1 1 1 -7  28 1  o 321.0273 8.704474 1052.887       56.82454  1052.887       
56.82454  0.000000       0.000000  321.0273 8.704474 ?        ?        
0.000000       8.704474 
1 1 1 -7  28 2  o 208.3454 8.935621 443.4638       37.85821  443.4638       
37.85821  0.000000       0.000000  208.3454 8.935621 ?        ?        
0.000000       8.935621 
1 1 1 -7  28 3  o 143.0178 10.38071 210.3526       29.98467  210.3526       
29.98467  0.000000       0.000000  143.0178 10.38071 ?        ?        
0.000000       10.38071 
1 1 1 -7  28 4  o 269.8519 8.661579 743.6332       47.53067  743.6332       
47.53067  0.000000       0.000000  269.8519 8.661579 ?        ?        
0.000000       8.661579 
1 1 1 -7  28 5  o 381.9643 4.741297 1485.415       36.82742  1423.482       
44.77907  1614.861       64.73741  373.7807 5.891241 397.7683 8.003386 
-23.98755      9.937853 
1 1 1 -7  28 6  o 88.40656 5.612692 79.94436       10.03806  77.04655       
12.48644  85.23902       16.87805  86.61752 7.152936 90.85160 9.265294 
-4.234077      11.70513 
1 1 1 -7  28 7  o 344.8266 4.725044 1210.820       33.13279  1161.163       
40.24746  1315.235       58.36191  337.5441 5.863495 358.8822 7.996983 
-21.33807      9.916265 
1 1 1 -7  28 8  o 148.0582 4.533721 223.2296       13.65019  227.2706       
19.32563  219.2065       19.28301  149.2814 6.366147 146.6019 6.468208 
2.679520       9.075546 
1 1 1 -7  28 9  o 117.8665 7.419274 142.4588       17.69217  0.000000       
0.000000  142.4588       17.69217  ?        ?        117.8665 7.419274 
0.000000       7.419274 
1 1 1 -7  28 10 o 161.6291 5.151492 266.2867       16.93184  261.8567       
26.63081  269.2927       21.93656  159.7618 8.225005 162.4042 6.642322 
-2.642380      10.57219 
1 1 1 -7  28 11 o 127.3525 5.326546 165.4055       13.79446  182.4527       
19.19610  147.2023       19.83627  133.4118 7.101230 119.6179 8.204366 
13.79391       10.85076 
1 1 1 -7  28 12 f 294.5417 4.320034 884.0719       25.87530  847.9694       
35.90940  923.0614       37.31760  288.1388 6.128512 300.6317 6.104184 
-12.49283      8.649839 
1 1 1 -7  28 13 o 45.20592 12.57684 21.84764       11.98372  10.94072       
16.47835  34.09169       17.45923  38.77001 14.88519 56.08901 15.01110 
-17.31900      21.14005 
1 1 1 -7  28 14 f 169.6967 5.622054 294.1599       19.40081  331.7253       
33.93884  275.9264       23.64498  179.2430 9.343498 164.1300 7.084341 
15.11301       11.72556 
1 1 1 -7  28 15 o 136.6200 6.491962 191.0780       18.03606  195.9783       
29.66842  188.2053       22.71551  137.1645 10.72183 135.0499 8.311721 
2.114563       13.56622 
1 1 1 -7  28 16 o 133.2855 6.160067 181.8655       16.69628  184.2641       
23.43103  179.3912       23.79744  133.4447 8.681773 131.5901 8.946273 
1.854538       12.46631 
1 1 1 -7  28 17 o 151.8320 6.871466 236.5883       21.21603  231.3373       
25.72267  247.7617       37.52219  149.5420 8.493694 153.4457 12.12366 
-3.903687      14.80291 
1 1 1 -7  28 18 o 75.47073 10.45185 60.29123       15.61011  55.99964       
22.03322  64.61634       22.11909  71.12751 15.65729 76.84570 14.69003 
-5.718193      21.46969 
1 1 1 -7  28 19 o 82.59199 10.30209 72.08729       16.92651  51.64251       
23.92493  92.57575       23.95048  67.67364 17.31441 92.79212 13.05353 
-25.11848      21.68371 
1 1 1 -7  28 20 o 93.11968 11.61031 92.74688       21.50792  92.85210       
39.99289  92.70406       25.51124  87.98263 22.31846 92.07433 14.07195 
-4.091698      26.38434 
1 1 1 -7  28 21 o 73.33528 14.39586 60.42999       20.70209  74.40617       
26.43974  38.28493       33.28137  80.37724 16.72064 58.84076 21.43773 
21.53648       27.18743 
1 1 1 -7  28 22 o 99.30775 9.508510 105.5934       18.96728  127.5258       
27.27274  85.04803       26.39630  107.1667 12.76582 85.40032 15.78090 
21.76637       20.29786 
1 1 1 -7  28 23 o 70.36163 14.82361 59.05312       20.54058  49.08060       
26.03099  75.50838       33.43801  61.39530 18.95091 74.29544 21.12890 
-12.90014      28.38252 
1 1 1 -7  29 1  o 74.79388 12.91376 59.16724       18.93131  53.93878       
25.88466  65.18047       27.75936  70.65199 17.97344 77.64551 17.94135 
-6.993523      25.39560 
1 1 1 -7  29 2  o 73.65067 17.26777 58.50756       25.41295  58.50756       
25.41295  0.000000       0.000000  73.65067 17.26777 ?        ?        
0.000000       17.26777 
1 1 1 -7  29 3  o 242.1163 8.660967 599.0991       42.64241  599.0991       
42.64241  0.000000       0.000000  242.1163 8.660967 ?        ?        
0.000000       8.660967 
1 1 1 -7  29 4  o 283.0123 8.580025 818.4970       49.37934  818.4970       
49.37934  0.000000       0.000000  283.0123 8.580025 ?        ?        
0.000000       8.580025 
1 1 1 -7  29 5  o 233.8225 3.993241 556.5200       18.98730  509.6438       
23.03533  655.8663       33.53469  223.6822 5.064209 253.6018 6.502653 
-29.91957      8.242008 
1 1 1 -7  29 6  o 170.1606 4.241289 294.7912       14.67602  263.7050       
17.91230  358.2771       25.59798  160.8679 5.475585 187.4037 6.717012 
-26.53583      8.666041 
1 1 1 -7  29 7  o 45.26731 9.999431 21.81453       8.959180  22.98903       
12.23727  20.45776       13.15258  46.49576 12.61965 44.38041 13.42716 
2.115345       18.42672 
1 1 1 -7  29 8  o 88.27804 6.178487 79.88448       11.02147  98.13178       
15.60052  61.70167       15.57293  97.65941 7.923819 76.89819 10.21122 
20.76122       12.92501 
1 1 1 -7  29 9  o 23.59715 11.14694 -15.97245      14.04788  0.000000       
0.000000  -15.97245      14.04788  ?        ?        23.59715 11.14694 
0.000000       11.14694 
1 1 1 -7  29 10 o 89.86114 7.259610 83.09663       13.15262  74.38712       
19.76527  90.01828       17.62020  84.10809 11.88740 93.18732 9.428000 
-9.079231      15.17226 
1 1 1 -7  29 11 o 214.5997 4.838981 469.5632       21.11711  483.7192       
34.53540  461.1099       26.68750  217.3231 7.814607 212.4727 6.176656 
4.850433       9.960881 
1 1 1 -7  29 12 o 249.6582 4.785448 635.6724       24.29516  665.6299       
40.84360  619.2684       30.22356  254.8117 7.882305 246.1949 6.036915 
8.616730       9.928498 
1 1 1 -7  29 13 o 52.57830 11.35335 29.69938       11.78370  33.19744       
16.67549  26.21037       16.65386  55.29420 14.61065 49.73259 15.12303 
5.561619       21.02801 
1 1 1 -7  29 14 o 50.50086 14.05248 27.55345       14.95937  -18.26162      
26.71916  48.47160       18.05429  35.15598 16.18786 66.90270 13.73061 
-31.74672      21.22679 
1 1 1 -7  29 15 f 181.9753 4.989059 338.1791       18.46215  326.5527       
25.86172  350.2619       26.36440  178.4146 7.128130 184.8037 7.015454 
-6.389084      10.00134 
1 1 1 -7  29 16 o 54.98481 12.44927 32.85934       13.59621  32.37841       
18.83714  33.38237       19.64412  54.48911 15.96924 55.30854 16.33576 
-0.8194313     22.84456 
1 1 1 -7  29 17 o 106.8694 8.695994 118.7245       18.73446  109.4852       
22.53988  139.3705       33.69392  101.9080 11.05379 113.5874 14.95037 
-11.67935      18.59301 
1 1 1 -7  29 18 o 60.56757 12.97852 40.07222       15.50425  20.22677       
21.50695  61.54469       22.37121  46.89671 17.21084 74.66536 15.24947 
-27.76865      22.99477 
1 1 1 -7  29 19 f 117.4647 7.633029 142.9504       18.13400  155.5863       
26.26373  131.4383       25.06867  121.4933 10.74114 111.4146 11.21719 
10.07867       15.53053 
1 1 1 -7  29 20 o 34.33231 15.10311 -2.735780      20.41113  37.22990       
38.02981  -18.90656      24.19057  60.11402 22.72353 32.23045 15.03309 
27.88357       27.24614 
1 1 1 -7  29 21 o 94.92370 11.19170 97.41124       21.18810  76.66052       
26.77160  132.1996       34.66370  81.14619 16.77801 107.4540 16.38177 
-26.30777      23.44918 
1 1 1 -7  29 22 o 36.67800 14.79141 9.771235       16.99680  16.83624       
24.75214  3.467469       23.38065  44.24830 17.84785 37.80068 16.40402 
6.447617       24.24124 
1 1 1 -7  29 23 o 68.98830 14.97127 57.65065       20.39997  54.29131       
26.29921  62.72534       32.32360  63.88712 18.91010 66.66550 21.19713 
-2.778381      28.40617 
1 1 1 -7  30 1  o 190.8290 6.512676 371.6312       25.27292  371.9375       
35.45629  371.3149       36.03331  190.5664 9.149461 190.3829 9.307325 
0.1835327      13.05140 
1 1 1 -7  30 2  o 140.0152 7.520463 200.8338       21.33428  215.4758       
30.17917  186.2071       30.16328  144.5777 10.33298 134.1886 11.15491 
10.38918       15.20534 
1 1 1 -7  30 3  o 178.6438 9.423203 327.7042       34.11134  327.7042       
34.11134  0.000000       0.000000  178.6438 9.423203 ?        ?        
0.000000       9.423203 
1 1 1 -7  30 4  o 148.6748 10.42653 227.8004       31.32365  227.8004       
31.32365  0.000000       0.000000  148.6748 10.42653 ?        ?        
0.000000       10.42653 
1 1 1 -7  30 5  o 261.9075 3.236406 698.0593       17.23702  680.0475       
21.13443  733.8442       29.78932  258.4458 4.021331 268.3230 5.459479 
-9.877228      6.780635 
1 1 1 -7  30 6  o 119.3774 4.694070 145.1749       11.39523  153.6419       
16.40023  137.2717       15.84471  122.5189 6.606991 115.7694 6.759757 
6.749565       9.452335 
1 1 1 -7  30 7  o 105.6994 5.458647 114.2110       11.69294  149.1725       
17.94068  88.39262       15.41732  120.6037 7.350295 92.58462 8.276014 
28.01907       11.06884 
1 1 1 -7  30 8  o 291.1266 7.458860 866.5574       44.15763  866.5574       
44.15763  0.000000       0.000000  291.1266 7.458860 ?        ?        
0.000000       7.458860 
1 1 1 -7  30 9  o 31.39019 12.05308 6.896675       10.80512  4.114291       
16.11765  9.167873       14.56199  34.53474 14.22374 36.25757 13.97417 
-1.722832      19.93971 
1 1 1 -7  30 10 o 271.9027 4.186264 753.3004       23.14683  775.5286       
32.93199  731.5973       32.54065  275.6025 5.876020 267.6632 5.978417 
7.939362       8.382666 
1 1 1 -7  30 11 o 121.8585 5.373807 151.5663       13.31647  142.1529       
17.74640  163.6971       20.14561  117.5734 7.461147 126.1206 7.894709 
-8.547188      10.86256 
1 1 1 -7  30 12 o 97.04695 6.413296 96.74992       12.58517  89.43215       
17.64075  104.3348       17.95978  92.71122 9.490706 100.3389 8.894164 
-7.627647      13.00691 
1 1 1 -7  30 13 f 155.9035 4.931448 248.0913       15.63441  259.3673       
22.20413  237.0036       22.01785  159.1200 6.862108 152.0620 7.120371 
7.058014       9.888792 
1 1 1 -7  30 14 o 45.23248 14.48398 21.23071       15.07147  -23.79841      
26.89218  41.85069       18.19798  33.76156 15.78177 61.82253 14.69185 
-28.06097      21.56188 
1 1 1 -7  30 15 o 64.11956 10.86401 43.84620       13.65970  39.74185       
18.64733  48.59886       20.06608  60.06309 15.24189 66.44807 15.18222 
-6.384975      21.51314 
1 1 1 -7  30 16 o 150.9440 5.705425 233.2491       17.51279  227.9734       
24.44013  238.8165       25.10698  148.4966 8.124283 151.9878 8.153083 
-3.491211      11.50985 
1 1 1 -7  30 17 o 42.10961 14.18156 17.91152       14.37664  29.48769       
20.38220  6.449517       20.28145  52.45116 16.84870 38.67387 15.94522 
13.77729       23.19760 
1 1 1 -7  30 18 o 67.62228 13.31134 49.98777       17.65305  21.40050       
28.05653  68.72160       22.71228  50.39215 19.40392 79.08454 14.66262 
-28.69239      24.32086 
1 1 1 -7  30 19 o 208.0116 5.646616 443.8889       23.88511  432.6819       
33.38269  455.6438       34.18904  204.4422 8.029699 209.8044 8.013474 
-5.362167      11.34424 
1 1 1 -7  30 20 o 116.4800 10.15615 143.9059       23.81579  130.9012       
42.28683  149.9471       28.82141  104.7344 20.58874 117.8635 12.20169 
-13.12914      23.93277 
1 1 1 -7  30 21 f 67.35201 15.11071 52.62093       20.18685  51.18769       
24.78944  55.44235       34.78103  64.98487 18.09204 66.03732 22.05892 
-1.052452      28.52924 
1 1 1 -7  30 22 o 23.37466 11.26991 -21.19572      15.99016  -58.70356      
23.35903  11.87862       21.93509  23.17019 11.60881 40.20071 16.57955 
-17.03052      20.23971 
1 1 1 -7  31 1  o 64.36810 18.60230 44.63762       25.72132  0.000000       
0.000000  44.63762       25.72132  ?        ?        64.36810 18.60230 
0.000000       18.60230 
1 1 1 -7  31 2  o 320.0345 8.737051 1049.139       56.86081  0.000000       
0.000000  1049.139       56.86081  ?        ?        320.0345 8.737051 
0.000000       8.737051 
1 1 1 -7  31 3  f 55.36769 18.56932 30.54026       24.64809  0.000000       
0.000000  30.54026       24.64809  ?        ?        55.36769 18.56932 
0.000000       18.56932 
1 1 1 -7  31 4  f 149.0930 10.56935 229.5141       31.83706  0.000000       
0.000000  229.5141       31.83706  ?        ?        149.0930 10.56935 
0.000000       10.56935 
1 1 1 -7  31 5  o 65.19748 4.483942 43.50790       5.908724  43.60548       
6.064575  41.68227       26.23209  65.25980 4.599291 62.62181 18.96616 
2.637993       19.51586 
1 1 1 -7  31 6  o 270.6885 3.833722 746.1126       21.10288  732.2633       
29.34999  760.9352       30.36378  267.9713 5.386024 273.1552 5.466318 
-5.183899      7.673975 
1 1 1 -7  31 7  o 174.6450 3.997611 310.6526       14.19737  309.8066       
19.90338  311.5290       20.25755  174.2623 5.616580 174.7371 5.700989 
-0.4748230     8.002952 
1 1 1 -7  31 8  o 25.35876 10.74150 0.4330166      9.584287  -7.705554      
13.13979  9.685981       14.01053  25.54596 11.60604 36.15918 13.76264 
-10.61323      18.00306 
1 1 1 -7  31 9  o 68.13781 8.655962 48.38802       11.72311  82.28938       
17.88479  22.84945       15.52292  88.85464 10.07627 46.89513 14.66061 
41.95951       17.78946 
1 1 1 -7  31 10 o 189.6406 4.302092 366.5848       16.59061  372.5577       
22.90415  359.9916       24.06415  190.9688 5.897938 187.6574 6.305990 
3.311401       8.634302 
1 1 1 -7  31 11 o 158.3299 4.654531 255.7053       14.98616  245.4673       
20.80629  266.7428       21.60344  154.8766 6.606283 161.4532 6.579985 
-6.576508      9.324118 
1 1 1 -7  31 12 o 99.71897 6.357696 102.1665       12.82507  94.79926       
17.55492  110.5996       18.78197  95.49890 9.151671 103.2419 9.037113 
-7.742973      12.86167 
1 1 1 -7  31 13 o 295.8607 4.390158 892.9962       26.41307  880.7378       
37.14977  905.5276       37.56108  293.3273 6.228052 297.4324 6.210096 
-4.105164      8.795108 
1 1 1 -7  31 14 o 75.14305 10.79794 59.79194       16.02587  63.94259       
28.86267  57.94196       19.26913  75.38093 18.87193 73.19789 13.44060 
2.183037       23.16894 
1 1 1 -7  31 15 o 338.7695 4.684728 1172.241       32.27306  1143.215       
44.75493  1203.686       46.58186  333.8026 6.593252 342.4722 6.688674 
-8.669556      9.391982 
1 1 1 -7  31 16 o 135.4774 6.302815 188.2990       17.36412  189.7508       
23.85123  186.6618       25.32844  135.1820 8.722972 133.8615 9.363653 
1.320480       12.79720 
1 1 1 -7  31 17 f 93.24673 8.380167 90.58521       15.72081  79.53907       
21.68200  102.8292       22.82737  85.94601 12.79597 98.35901 11.63839 
-12.41300      17.29708 
1 1 1 -7  31 18 o 112.3872 8.523705 131.5939       19.33529  169.4027       
32.30495  110.4894       24.13577  125.8178 12.80474 101.7508 11.88881 
24.06699       17.47299 
1 1 1 -7  31 19 o 126.7341 7.582717 166.8092       19.45231  192.3438       
27.67760  141.8849       27.34486  135.0312 10.15393 115.0964 11.85273 
19.93478       15.60735 
1 1 1 -7  31 20 o 76.15261 11.81435 63.42105       17.70281  30.40802       
24.63498  98.67210       25.45632  52.60468 18.53061 94.32301 13.67011 
-41.71833      23.02727 
1 1 1 -7  31 21 f 61.94386 15.84026 45.74885       20.03167  43.16465       
25.42950  49.97456       32.51807  59.08715 18.80268 62.41129 21.32685 
-3.324142      28.43195 
1 1 1 -7  31 22 o 35.28130 14.39952 8.997310       16.33190  11.08829       
23.82918  7.145002       22.42803  40.34705 17.00517 37.97120 16.26780 
2.375854       23.53332 
1 1 1 -7  32 1  f 189.4675 6.537070 366.8430       25.18658  348.1571       
35.15984  386.5382       36.09706  183.8450 9.436464 194.0200 9.149008 
-10.17496      13.14349 
1 1 1 -7  32 2  o 201.8531 6.416530 416.2149       26.33825  397.4683       
36.71379  436.0936       37.80606  196.7773 9.174932 206.1499 9.018348 
-9.372604      12.86507 
1 1 1 -7  32 3  f 113.6668 8.543463 133.1604       19.60336  121.0316       
27.94845  144.9061       27.50359  107.3439 13.07353 117.9559 11.61694 
-10.61195      17.48915 
1 1 1 -7  32 4  f 102.0818 9.116649 107.7543       18.72583  59.33146       
26.87491  153.4475       26.10645  73.65311 18.07767 121.6367 10.66196 
-47.98358      20.98761 
1 1 1 -7  32 5  o 47.97782 15.31883 23.62729       16.86826  25.82575       
25.78530  21.98261       22.30255  52.89477 18.92324 49.10888 17.59575 
3.785892       25.83988 
1 1 1 -7  32 6  f 246.4899 3.763063 618.7801       18.86219  609.3617       
26.14841  628.9976       27.23510  244.4147 5.260978 248.3010 5.393853 
-3.886322      7.534689 
1 1 1 -7  32 7  o 223.7998 3.881969 510.2042       17.66702  499.2357       
24.53842  522.0090       25.45675  221.1820 5.455636 226.1583 5.535272 
-4.976379      7.771949 
1 1 1 -7  32 8  o 247.1507 4.437418 622.6774       22.30199  621.9168       
35.79891  623.1598       28.51048  246.4962 7.141807 247.0446 5.675155 
-0.5483551     9.122104 
1 1 1 -7  32 9  o 33.41566 12.28291 9.340113       10.96032  11.66605       
15.99393  7.280730       15.04959  38.86511 14.72556 35.33927 14.03058 
3.525845       20.33960 
1 1 1 -7  32 10 o 182.7744 4.432333 340.6802       16.47400  343.8907       
22.55938  337.0121       24.11374  183.3983 6.048955 181.4711 6.534398 
1.927231       8.904392 
1 1 1 -7  32 11 o 274.3508 4.217303 767.5324       23.52840  747.3361       
32.63611  789.3892       33.95121  270.3322 5.936757 277.8142 6.009652 
-7.482086      8.447543 
1 1 1 -7  32 12 o 87.73093 6.930663 79.39762       12.26388  101.4099       
17.02950  55.68207       17.67607  98.87911 8.553506 72.06045 12.51664 
26.81866       15.16011 
1 1 1 -7  32 13 o 86.16795 7.311765 76.79279       12.69114  63.44685       
17.09855  93.16479       18.93806  77.33446 11.19857 94.32324 10.02713 
-16.98878      15.03168 
1 1 1 -7  32 14 o 140.2119 6.651591 201.7296       18.96539  167.9116       
32.50397  219.1857       23.35270  125.7639 12.89170 145.6709 7.913076 
-19.90698      15.12655 
1 1 1 -7  32 15 o 86.67724 8.227024 78.22440       14.32727  81.47027       
20.29835  75.00180       20.22549  87.46316 11.70622 83.68435 12.24764 
3.778809       16.94226 
1 1 1 -7  32 16 o 64.13988 13.31912 45.08300       16.80405  57.07396       
20.02093  16.50024       30.91075  72.07983 14.16415 49.55817 19.96069 
22.52167       24.47554 
1 1 1 -7  32 17 o 72.65242 10.87904 56.40260       15.57832  43.63014       
21.21356  71.35294       22.95102  62.23142 16.49624 80.54684 14.54742 
-18.31541      21.99439 
1 1 1 -7  32 18 o 149.1868 7.371115 229.8722       22.36222  210.3807       
36.02942  242.0858       28.52050  140.0534 12.79183 152.1571 9.261583 
-12.10370      15.79265 
1 1 1 -7  32 19 o 57.50378 14.26866 37.34442       16.60580  31.78803       
23.56684  42.82351       23.40232  53.60466 18.15657 60.71308 17.80118 
-7.108418      25.42721 
1 1 1 -7  32 20 o 68.43500 13.78127 53.14277       18.51533  56.25486       
26.81745  50.30803       25.59459  67.90472 18.78646 64.38525 18.54171 
3.519463       26.39557 
1 1 1 -7  32 21 o 36.82294 15.55097 6.746586       19.99234  1.546858       
24.61970  16.81411       34.25736  37.59466 16.56117 47.49574 20.22029 
-9.901077      26.13680 
1 1 1 -7  32 22 o 30.39581 13.34611 0.4878263      15.87218  24.15686       
23.52497  -19.28957      21.50420  45.88440 17.73988 28.42146 13.53195 
17.46294       22.31181 
1 1 1 -7  33 1  o 109.2304 12.98640 125.7067       28.28061  0.000000       
0.000000  125.7067       28.28061  ?        ?        109.2304 12.98640 
0.000000       12.98640 
1 1 1 -7  33 2  o 245.6946 6.071123 616.7460       30.33305  596.3932       
42.69303  637.4933       43.10476  240.9937 8.711640 249.2167 8.505437 
-8.223068      12.17519 
1 1 1 -7  33 3  o 185.4664 6.426371 351.5997       24.23720  376.3464       
34.85148  328.4211       33.72922  191.4078 8.953858 178.4942 9.324829 
12.91359       12.92765 
1 1 1 -7  33 4  o 96.43938 9.970522 96.74739       19.27115  98.84489       
27.69821  94.77937       26.82960  96.29629 14.60267 94.29851 14.45201 
1.997780       20.54504 
1 1 1 -7  33 5  o 36.84567 14.57999 8.131529       16.20122  14.69250       
24.81611  3.257967       21.38812  46.36184 18.13736 38.51073 16.16447 
7.851116       24.29514 
1 1 1 -7  33 6  o 242.2472 3.666812 597.7524       18.06337  607.3365       
20.01542  555.6825       41.93491  244.1356 4.031645 232.5543 8.867475 
11.58128       9.740958 
1 1 1 -7  33 7  o 127.0690 4.928147 164.7322       12.73429  169.3912       
18.70171  160.7047       17.38797  128.4106 7.190819 125.1228 6.859939 
3.287827       9.938141 
1 1 1 -7  33 8  o 47.79850 11.07512 24.57455       10.55420  23.10441       
15.24921  25.92631       14.62230  46.91282 14.50868 49.13840 13.97139 
-2.225582      20.14203 
1 1 1 -7  33 9  o 138.4100 7.082479 196.8317       19.86767  0.000000       
0.000000  196.8317       19.86767  ?        ?        138.4100 7.082479 
0.000000       7.082479 
1 1 1 -7  33 10 o 141.7579 4.931796 205.1619       14.21686  216.0843       
19.20617  191.9235       21.14467  145.2632 6.501805 136.5086 7.647883 
8.754608       10.03811 
1 1 1 -7  33 11 o 144.3916 4.861058 212.8875       14.27329  186.6730       
19.39918  243.8292       21.07587  134.7029 7.107137 154.2314 6.719876 
-19.52850      9.781008 
1 1 1 -7  33 12 o 69.63608 8.449471 50.68459       11.72002  29.27560       
15.55091  78.83294       17.83135  51.81860 14.29349 86.58971 10.33061 
-34.77111      17.63591 
1 1 1 -7  33 13 o 79.33826 7.824605 65.42280       12.45959  54.73217       
16.77963  78.56166       18.60200  71.42188 11.97716 86.21928 10.85001 
-14.79740      16.16091 
1 1 1 -7  33 14 o 151.8540 6.275812 236.5684       19.37972  200.3035       
33.47087  254.8572       23.76929  137.6090 12.08339 157.3337 7.429216 
-19.72473      14.18456 
1 1 1 -7  33 15 o 73.57413 9.498780 57.12234       13.87977  53.73059       
19.67806  60.48046       19.58023  69.81348 14.34075 74.49280 13.41921 
-4.679314      19.64007 
1 1 1 -7  33 16 f 47.47200 15.22532 24.06723       16.64873  16.27140       
19.63384  44.01831       31.40924  43.39302 16.34494 62.81213 20.96252 
-19.41911      26.58166 
1 1 1 -7  33 17 o 104.0685 7.837092 112.6154       16.46365  111.5129       
22.44638  113.8992       24.22098  102.4963 10.93823 103.2743 11.74190 
-0.7779388     16.04734 
1 1 1 -7  33 18 o 101.6314 9.778043 109.1643       19.95897  110.8536       
31.99575  108.0882       25.53657  99.18753 16.43861 99.76995 12.88797 
-0.5824203     20.88846 
1 1 1 -7  33 19 o 50.49799 15.10201 28.91043       16.70946  69.86735       
25.29826  -2.784527      22.25471  77.60250 16.53693 35.41772 15.66645 
42.18478       22.77955 
1 1 1 -7  33 20 o 58.06895 15.10348 39.68633       18.00344  91.54855       
26.44583  -5.108946      24.57806  88.91187 15.17109 35.74234 16.09018 
53.16953       22.11460 
1 1 1 -7  33 21 o 28.45132 13.31502 -13.30870      19.23860  -6.743900      
24.20454  -24.57151      31.70364  34.17346 15.61294 34.49325 16.42497 
-0.3197937     22.66150 
1 1 1 -7  34 1  o 181.0106 9.530734 338.7459       34.95818  0.000000       
0.000000  338.7459       34.95818  ?        ?        181.0106 9.530734 
0.000000       9.530734 
1 1 1 -7  34 2  o 274.4793 8.520231 774.3912       47.55679  0.000000       
0.000000  774.3912       47.55679  ?        ?        274.4793 8.520231 
0.000000       8.520231 
1 1 1 -7  34 3  o 83.25245 10.76788 72.80196       17.80248  81.67426       
26.57925  65.58327       23.97474  86.88255 15.61800 77.62380 15.72710 
9.258743       22.16446 
1 1 1 -7  34 4  o 206.0557 6.121677 434.0912       25.65113  439.7671       
36.68785  428.6631       35.87806  206.8143 8.723490 204.2082 8.639812 
2.606094       12.27785 
1 1 1 -7  34 5  o 131.1528 7.533851 176.9417       20.00870  132.0745       
28.33654  221.5566       28.25678  111.9785 12.66676 146.3246 9.548632 
-34.34614      15.86264 
1 1 1 -7  34 6  o 53.45084 6.533925 29.66580       6.954130  26.33962       
7.257353  66.99326       24.31195  50.17692 7.328644 78.40691 15.79409 
-28.22999      17.41156 
1 1 1 -7  34 7  o 98.15517 5.612174 98.76781       11.15551  101.8450       
15.93749  95.81202       15.61985  99.27325 7.961699 96.25066 8.054382 
3.022583       11.32527 
1 1 1 -7  34 8  o 156.2580 4.843578 249.2341       15.39076  270.9279       
23.81453  233.6743       20.16864  162.5317 7.205306 151.0547 6.565850 
11.47705       9.748170 
1 1 1 -7  34 9  o 101.6850 5.698738 106.0613       11.73638  99.02451       
15.79115  114.7450       17.54208  97.81861 8.008745 105.2875 8.259452 
-7.468895      11.50472 
1 1 1 -7  34 10 o 198.4688 4.925916 402.3175       19.88066  397.6034       
23.60574  413.8196       36.87260  197.1119 5.889159 200.2143 9.056437 
-3.102371      10.80284 
1 1 1 -7  34 11 o 250.2023 4.199595 638.7367       21.36733  644.1422       
30.05308  633.2110       30.38559  250.8355 5.891808 248.6639 6.009018 
2.171631       8.415563 
1 1 1 -7  34 12 o 44.59550 12.16034 21.53932       11.33165  27.50550       
15.57580  14.83091       16.51627  50.26185 14.46150 40.98870 15.07633 
9.273144       20.89093 
1 1 1 -7  34 13 o 156.8686 5.043019 251.6692       16.08711  234.0718       
22.36152  270.5470       23.16074  150.8067 7.291708 162.2028 7.021705 
-11.39616      10.12291 
1 1 1 -7  34 14 f 37.43864 14.40275 10.73051       15.44660  -6.574510      
27.88267  18.39305       18.55388  39.06789 17.39505 44.23313 16.02311 
-5.165241      23.65012 
1 1 1 -7  34 15 o 32.44047 13.02997 5.924746       13.13214  -5.598385      
18.20021  18.43901       18.96679  31.42176 14.01756 44.36715 16.18069 
-12.94539      21.40810 
1 1 1 -7  34 16 o 30.06729 13.44727 -5.673240      16.86318  3.587013       
19.99108  -28.51668      31.39825  36.84179 15.55424 35.59286 16.76802 
1.248920       22.87140 
1 1 1 -7  34 17 o 42.81540 14.46154 18.96726       14.95033  14.46649       
20.67632  23.89857       21.64269  42.65939 16.59247 48.58847 17.34152 
-5.929085      24.00080 
1 1 1 -7  34 18 o 175.7818 6.013807 318.3211       21.49685  348.5552       
30.88509  289.9104       29.93924  182.8624 8.305636 166.2608 8.887414 
16.60168       12.16428 
1 1 1 -7  34 19 o 182.7313 5.972007 345.0278       22.19140  356.2638       
32.99286  335.7448       29.98857  183.9523 8.819890 178.9666 8.240096 
4.985703       12.07020 
1 1 1 -7  34 20 o 117.6776 8.055122 146.8801       19.16007  138.0226       
27.78506  154.9108       26.45659  110.8899 12.54212 118.7291 11.08611 
-7.839264      16.73937 
1 1 1 -7  34 21 o 53.82132 16.65169 37.06926       20.08450  42.97782       
25.36742  27.14319       32.87944  56.52369 18.83760 49.06513 20.27275 
7.458565       27.67381 
1 1 1 -7  35 1  o 203.6006 9.169244 427.7478       37.96331  0.000000       
0.000000  427.7478       37.96331  ?        ?        203.6006 9.169244 
0.000000       9.169244 
1 1 1 -7  35 2  o 171.5305 9.383203 304.5389       32.60578  0.000000       
0.000000  304.5389       32.60578  ?        ?        171.5305 9.383203 
0.000000       9.383203 
1 1 1 -7  35 3  o 53.06108 18.81041 27.27888       25.42336  0.000000       
0.000000  27.27888       25.42336  ?        ?        53.06108 18.81041 
0.000000       18.81041 
1 1 1 -7  35 4  o 49.82225 18.22871 22.50447       24.09974  0.000000       
0.000000  22.50447       24.09974  ?        ?        49.82225 18.22871 
0.000000       18.22871 
1 1 1 -7  35 5  o 41.75445 16.79507 9.790936       21.85198  0.000000       
0.000000  9.790936       21.85198  ?        ?        41.75445 16.79507 
0.000000       16.79507 
1 1 1 -7  35 6  o 113.6932 4.164001 131.8247       9.627126  130.5327       
10.28550  140.9579       27.34764  113.1087 4.471758 115.8019 11.77712 
-2.693230      12.59751 
1 1 1 -7  35 7  o 237.1453 3.601032 573.1408       17.36573  558.9646       
22.32097  594.8797       27.64082  234.0047 4.690695 241.1949 5.635486 
-7.190186      7.332211 
1 1 1 -7  35 8  o 55.99466 9.200233 33.19137       10.11209  20.50195       
12.99029  52.70531       16.10907  43.97438 13.35297 70.23712 11.68937 
-26.26274      17.74664 
1 1 1 -7  35 9  o 164.7648 4.448047 277.0959       14.90340  291.9261       
20.58352  260.7546       21.60687  168.8506 5.994675 159.4501 6.663703 
9.400513       8.963318 
1 1 1 -7  35 10 o 91.79063 6.459636 86.82073       11.98065  91.57150       
15.60794  80.00658       18.69260  93.89528 8.258287 87.05133 10.79081 
6.843948       13.58826 
1 1 1 -7  35 11 o 93.86166 6.603904 90.86693       12.52462  76.37769       
16.44755  110.8647       19.32277  85.29337 9.652669 103.0463 9.322096 
-17.75292      13.41922 
1 1 1 -7  35 12 o 68.46696 8.704450 49.24446       11.84524  51.71152       
16.34713  46.51711       17.18787  69.24090 12.04741 65.18947 13.41304 
4.051430       18.02914 
1 1 1 -7  35 13 o 111.6713 6.213231 128.4215       14.05363  117.6819       
19.44207  140.1735       20.33783  106.1096 9.098241 116.0037 8.684484 
-9.894157      12.57769 
1 1 1 -7  35 14 o 60.31161 13.33271 40.13725       15.91725  33.21598       
29.66953  42.93435       18.86131  56.60718 20.29353 61.92906 15.11072 
-5.321880      25.30140 
1 1 1 -7  35 15 o 147.8227 5.835460 224.3455       17.54154  267.1992       
25.19330  184.0200       24.43886  160.7478 7.707056 132.6716 9.113670 
28.07617       11.93556 
1 1 1 -7  35 16 o 108.5106 7.734736 122.4833       16.95574  125.8382       
23.48838  118.8327       24.50179  108.8751 10.74931 105.4002 11.62494 
3.474922       15.83309 
1 1 1 -7  35 17 o 135.8430 6.619505 190.4605       18.28581  190.1875       
26.10262  190.7235       25.62409  134.3303 9.619290 134.6172 9.419816 
-0.2868805     13.46342 
1 1 1 -7  35 18 o 132.8290 7.054247 183.5847       18.98609  183.5250       
27.40183  183.6399       26.33094  131.1015 10.36275 131.3991 9.927485 
-0.2975922     14.35067 
1 1 1 -7  35 19 o 128.7885 7.540476 174.2177       19.66206  172.7378       
28.70703  175.5254       26.98546  125.7500 11.34838 127.3865 10.51116 
-1.636589      15.46837 
1 1 1 -7  35 20 f 51.10115 15.33102 31.80971       17.19990  11.79482       
24.70068  50.64959       23.96467  41.10204 17.31782 62.67012 17.90960 
-21.56808      24.91306 
1 1 1 -7  35 21 o 25.69963 12.38123 -21.82174      19.21065  -18.68637      
23.49250  -28.14996      33.37532  29.72635 14.15061 33.77687 16.28442 
-4.050514      21.57364 
1 1 1 -7  36 1  o 194.5055 6.491875 387.8999       25.67754  381.3564       
36.25546  394.4855       36.37186  192.0232 9.284708 195.3461 9.156075 
-3.322876      13.03992 
1 1 1 -7  36 2  o 43.99503 17.29342 13.48574       22.65148  0.000000       
0.000000  13.48574       22.65148  ?        ?        43.99503 17.29342 
0.000000       17.29342 
1 1 1 -7  36 3  o 127.3477 11.00900 169.8723       28.22918  0.000000       
0.000000  169.8723       28.22918  ?        ?        127.3477 11.00900 
0.000000       11.00900 
1 1 1 -7  36 4  o 141.9972 9.862612 209.7532       28.30225  0.000000       
0.000000  209.7532       28.30225  ?        ?        141.9972 9.862612 
0.000000       9.862612 
1 1 1 -7  36 5  o 183.6287 8.901329 348.0639       33.23892  0.000000       
0.000000  348.0639       33.23892  ?        ?        183.6287 8.901329 
0.000000       8.901329 
1 1 1 -7  36 6  o 124.1360 4.011471 157.1745       10.12635  162.8761       
10.91332  121.8640       27.15875  126.3435 4.247690 107.1189 12.71623 
19.22453       13.40692 
1 1 1 -7  36 7  o 57.56020 6.771984 34.45251       7.775068  32.68140       
8.245163  48.66925       23.36019  55.90998 7.436474 66.03214 17.21873 
-10.12216      18.75595 
1 1 1 -7  36 8  o 86.88049 6.074718 77.70557       10.66493  90.06982       
14.08302  61.08055       16.33024  93.28709 7.486815 75.86081 10.89880 
17.42628       13.22256 
1 1 1 -7  36 9  f 123.0123 5.091885 154.7237       12.73734  167.8156       
17.24811  139.0202       18.89033  127.6873 6.665784 115.8453 8.069189 
11.84202       10.46635 
1 1 1 -7  36 10 o 56.84885 9.882606 34.49661       11.00997  33.80328       
14.11456  35.57410       17.59553  55.58728 12.75685 56.68834 15.02230 
-1.101063      19.70804 
1 1 1 -7  36 11 o 33.12180 12.35951 9.078777       11.17514  5.712547       
14.75853  13.60245       17.10869  33.79628 13.72892 40.39857 15.24843 
-6.602283      20.51823 
1 1 1 -7  36 12 o 89.57384 7.166674 83.17612       12.94488  75.35133       
17.41262  92.84365       19.35465  84.33525 10.37181 93.74800 10.32359 
-9.412750      14.63390 
1 1 1 -7  36 13 o 124.9872 5.844418 160.3474       14.85451  166.2776       
20.92086  154.3181       21.09513  126.4597 8.179148 121.6720 8.580893 
4.787773       11.85454 
1 1 1 -7  36 14 o 126.2434 7.197231 165.0228       18.40021  182.0208       
33.13431  157.4436       22.12533  130.2305 12.67213 122.7054 8.928175 
7.525154       15.50146 
1 1 1 -7  36 15 o 79.97763 9.468984 67.67988       15.10111  83.47124       
20.69201  49.68471       22.08873  88.03121 11.86074 65.96270 16.50697 
22.06851       20.32627 
1 1 1 -7  36 16 o 119.8132 7.059979 148.8931       17.12521  136.9190       
23.82365  161.6958       24.63408  113.5575 10.43340 123.7399 9.871997 
-10.18240      14.36357 
1 1 1 -7  36 17 o 25.40756 12.07685 -18.98225      16.98640  -40.65047      
28.69807  -7.296990      21.07465  30.66976 14.86260 32.89698 14.84587 
-2.227222      21.00707 
1 1 1 -7  36 18 o 45.97752 15.17405 23.59700       16.47463  34.17114       
24.31850  14.62770       22.39719  54.08850 18.44324 42.64394 17.05599 
11.44456       25.12091 
1 1 1 -7  36 19 o 48.09455 15.33793 27.26878       16.91418  43.66989       
24.28177  11.80927       23.57445  58.79306 18.32882 41.07946 17.08525 
17.71360       25.05696 
1 1 1 -7  36 20 o 37.20075 14.78578 12.63048       16.73014  0.8832216      
24.35485  23.12662       23.02141  36.21272 16.18069 45.12093 17.51978 
-8.908215      23.84863 
1 1 1 -7  36 21 o 46.10964 16.63638 27.64649       19.97239  29.51640       
24.69208  24.10809       33.96646  47.21909 18.19738 46.12293 19.89355 
1.096153       26.96104 
1 1 1 -7  37 1  o 42.34678 14.74850 17.51033       15.58132  31.29511       
21.06688  0.8633717      23.15088  53.84764 17.11171 38.37775 16.48724 
15.46989       23.76215 
1 1 1 -7  37 2  o 25.57726 12.01185 -15.70900      15.89198  4.867644       
22.83620  -35.03222      22.12974  39.86141 16.71558 26.88511 13.03406 
12.97630       21.19663 
1 1 1 -7  37 3  f 87.13297 9.985376 79.80208       17.37349  78.58999       
25.07609  80.92099       24.09304  84.76846 15.10063 86.37090 14.21186 
-1.602448      20.73658 
1 1 1 -7  37 4  f 82.12165 15.68268 74.22656       25.23447  0.000000       
0.000000  74.22656       25.23447  ?        ?        82.12165 15.68268 
0.000000       15.68268 
1 1 1 -7  37 5  o 181.9398 6.864316 339.9838       25.39665  358.2470       
37.91218  325.1170       34.20570  185.4288 10.09226 176.8484 9.546801 
8.580368       13.89227 
1 1 1 -7  37 6  o 52.94530 5.871460 29.06087       6.215120  27.71746       
6.469934  45.11515       22.36617  51.61635 6.294344 63.51220 16.98684 
-11.89585      18.11550 
1 1 1 -7  37 7  o 204.9100 3.697289 428.2276       15.40629  421.7615       
16.92039  459.5838       37.26067  203.2872 4.093067 210.8296 8.690958 
-7.542328      9.606558 
1 1 1 -7  37 8  o 60.08878 8.427064 38.00238       10.01408  45.75460       
12.88164  26.16157       15.92021  65.64278 9.963099 49.12030 14.75260 
16.52248       17.80176 
1 1 1 -7  37 9  o 237.7527 4.170504 577.1541       20.16348  554.0085       
27.43018  604.3630       29.74069  232.4826 5.802122 242.7415 6.024978 
-10.25899      8.364508 
1 1 1 -7  37 10 o 66.70552 8.641344 46.81987       11.44632  50.54022       
14.76821  41.22245       18.11466  68.69550 10.93859 60.85730 14.78378 
7.838203       18.39057 
1 1 1 -7  37 11 o 93.87347 6.619173 91.09158       12.55472  77.08559       
16.56612  109.9901       19.24322  85.48728 9.701237 102.4142 9.342703 
-16.92696      13.46848 
1 1 1 -7  37 12 o 138.2456 5.434314 195.9714       15.27733  171.1917       
20.46475  227.1644       22.96085  128.3891 7.876443 148.0436 7.653047 
-19.65443      10.98214 
1 1 1 -7  37 13 o 262.8714 6.402815 711.3498       34.22676  711.3498       
34.22676  0.000000       0.000000  262.8714 6.402815 ?        ?        
0.000000       6.402815 
1 1 1 -7  37 14 o 85.12706 10.48989 77.27094       17.77476  65.59580       
31.91418  82.52116       21.40138  74.17954 20.48244 87.23714 12.41414 
-13.05759      23.95080 
1 1 1 -7  37 15 o 146.4284 7.049637 221.6623       20.99150  262.5135       
25.32702  132.0235       37.51714  159.0448 7.830930 107.3677 17.80720 
51.67706       19.45302 
1 1 1 -7  37 16 o 58.38297 13.42233 38.30882       15.60222  37.50274       
21.42322  39.21927       22.76786  56.97149 17.11404 58.11358 17.68487 
-1.142090      24.60986 
1 1 1 -7  37 17 f 126.7676 8.037323 168.7120       20.61193  199.3051       
35.57226  153.2486       25.29021  134.3985 13.18543 119.4635 10.51761 
14.93505       16.86641 
1 1 1 -7  37 18 o 108.0873 8.298764 123.9392       18.10138  147.7503       
26.54918  103.2554       24.74442  116.0157 11.40062 95.74554 13.04872 
20.27016       17.32753 
1 1 1 -7  37 19 o 78.19850 11.13913 68.65347       17.21269  68.48402       
24.67016  68.81419       24.02739  73.89874 16.79738 74.49152 16.31340 
-0.5927734     23.41535 
1 1 1 -7  37 20 o 66.98550 13.08687 53.87994       17.18731  39.50614       
24.71679  67.33749       23.91603  53.36133 18.57606 71.72405 16.70789 
-18.36272      24.98447 
1 1 1 -7  38 1  o 38.73836 14.94670 11.44600       16.67367  6.045262       
23.14548  17.27235       24.04021  40.42535 16.88083 46.35495 17.92993 
-5.929600      24.62610 
1 1 1 -7  38 2  o 141.4549 7.115503 206.4517       20.40263  187.0172       
28.11354  228.0766       29.65551  133.4905 10.43964 147.7022 9.931126 
-14.21173      14.40880 
1 1 1 -7  38 3  o 238.1545 6.030192 581.7139       29.20393  567.4460       
41.20705  596.1120       41.39478  234.1457 8.654340 240.0719 8.479157 
-5.926239      12.11584 
1 1 1 -7  38 4  o 82.83899 10.34048 72.56692       17.03978  89.72890       
23.72213  54.27278       24.49210  91.25462 13.16418 69.30246 17.40341 
21.95216       21.82142 
1 1 1 -7  38 5  o 133.6317 7.695099 184.7320       20.82264  204.6349       
30.10542  166.4783       28.83121  139.5900 10.68687 125.5398 11.41836 
14.05016       15.63932 
1 1 1 -7  38 6  o 127.8554 3.681407 166.7596       9.571596  171.3474       
10.25226  135.6103       26.71425  129.5773 3.890804 113.0387 11.79529 
16.53857       12.42044 
1 1 1 -7  38 7  f 37.19480 9.550287 14.92535       7.260793  14.43177       
7.620953  19.78024       23.90116  36.62146 9.966895 47.59846 18.00925 
-10.97701      20.58330 
1 1 1 -7  38 8  f 202.8987 3.503460 419.9059       14.45532  417.9319       
17.48328  424.1710       25.69910  202.2707 4.250485 203.2384 6.218144 
-0.9677124     7.532061 
1 1 1 -7  38 9  o 96.22347 9.610126 97.35851       18.55297  0.000000       
0.000000  97.35851       18.55297  ?        ?        96.22347 9.610126 
0.000000       9.610126 
1 1 1 -7  38 10 o 133.3023 5.264656 182.0917       14.27116  182.9718       
18.65295  180.8492       22.16275  133.0767 6.916618 131.8389 8.309143 
1.237793       10.81117 
1 1 1 -7  38 11 o 29.15517 11.89394 3.939857       11.13650  -10.54613      
14.17247  27.32143       18.00563  25.28550 11.69476 49.97780 15.81306 
-24.69230      19.66775 
1 1 1 -7  38 12 o 126.1835 5.748723 163.5801       14.75113  150.2146       
20.00792  179.4965       21.83399  120.0008 8.249212 131.2337 8.223093 
-11.23290      11.64769 
1 1 1 -7  38 13 o 57.75537 11.64104 36.55814       13.19985  29.11625       
18.17037  44.87390       19.20760  51.14693 15.84067 62.92089 15.18526 
-11.77396      21.94354 
1 1 1 -7  38 14 o 42.72541 15.42419 17.82884       17.17148  2.205742       
30.79066  24.88118       20.68722  43.20229 18.78653 48.64680 16.99114 
-5.444515      25.33047 
1 1 1 -7  38 15 o 134.8362 7.793637 189.6418       21.27855  165.2465       
24.02876  278.2875       45.80438  125.0547 9.520384 158.9502 14.32471 
-33.89548      17.19986 
1 1 1 -7  38 16 o 107.8688 8.020354 122.1746       17.46721  109.8843       
24.47102  134.9409       24.94040  100.1821 12.26824 111.8196 11.11548 
-11.63752      16.55486 
1 1 1 -7  38 17 o 30.45543 13.62119 -4.041911      17.30328  40.48112       
28.81131  -29.16091      21.64072  57.60854 20.05570 26.95665 13.02509 
30.65189       23.91410 
1 1 1 -7  38 18 f 104.3638 8.597703 116.6958       18.08431  141.9330       
26.28129  93.99995       24.92290  112.8913 11.61380 89.87870 14.10006 
23.01263       18.26724 
1 1 1 -7  38 19 o 42.05678 15.28434 20.47524       16.90225  26.96194       
24.44987  14.53773       23.39198  47.09483 18.11959 40.85118 17.00705 
6.243649       24.85074 
1 1 1 -7  38 20 o 73.00458 12.17727 63.48658       17.44123  34.63679       
25.47788  88.92973       23.92640  49.44256 18.62011 84.23013 14.49137 
-34.78757      23.59467 
1 1 1 -7  39 1  o 134.5314 7.384689 187.3446       20.12532  170.6689       
27.39229  206.9042       29.66654  127.1477 10.69350 140.1702 10.48373 
-13.02253      14.97530 
1 1 1 -7  39 2  o 264.4005 6.057086 717.8823       32.56697  735.1584       
46.43589  701.1592       45.68656  266.2459 8.576685 259.9776 8.641736 
6.268250       12.17535 
1 1 1 -7  39 3  o 164.1012 6.755519 277.1572       22.54353  265.7457       
30.89137  290.1584       32.97307  159.4556 9.571070 166.5432 9.778907 
-7.087677      13.68329 
1 1 1 -7  39 4  o 92.45612 9.121195 89.64217       16.92551  98.53954       
24.33942  81.31078       23.55255  95.62627 12.84093 86.31284 13.88991 
9.313431       18.91611 
1 1 1 -7  39 5  o 132.3467 7.546908 181.3734       20.22695  182.0774       
27.57180  180.5529       29.76432  131.5522 10.39120 130.5917 11.32000 
0.9604797      15.36618 
1 1 1 -7  39 6  o 119.7417 3.767209 146.3481       9.173107  150.4499       
9.677968  110.0813       28.77709  121.3887 3.920616 100.3570 14.52320 
21.03177       15.04309 
1 1 1 -7  39 7  o 79.57866 5.241575 65.15717       8.434738  59.80851       
8.987251  104.6891       24.43310  76.11494 5.851189 98.68493 12.45242 
-22.56999      13.75860 
1 1 1 -7  39 8  o 38.97525 10.18227 16.48511       8.158962  16.23240       
8.799784  18.03306       21.77918  38.72488 10.77863 45.34824 17.18322 
-6.623367      20.28403 
1 1 1 -7  39 9  o 178.7617 4.462117 326.8586       16.22060  310.7278       
21.93326  346.3307       24.09803  173.8130 6.205397 183.4125 6.461021 
-9.599548      8.958334 
1 1 1 -7  39 10 o 138.2164 5.254291 195.9308       14.76811  201.4425       
19.26158  188.0694       23.00368  139.7473 6.777928 134.2453 8.469917 
5.502045       10.84803 
1 1 1 -7  39 11 o 36.52761 12.81952 13.01386       11.78279  6.922542       
15.44605  21.49221       18.22290  34.79240 14.07608 45.70854 15.94805 
-10.91614      21.27149 
1 1 1 -7  39 12 o 93.20477 7.527378 90.60126       14.14528  45.60196       
18.79184  149.4331       21.48684  63.46336 14.82832 119.2988 8.921551 
-55.83540      17.30529 
1 1 1 -7  39 13 o 34.72201 13.32271 9.616699       13.19541  1.790526       
18.09148  18.51250       19.28821  34.17339 14.62490 44.03786 16.27604 
-9.864471      21.88143 
1 1 1 -7  39 14 o 43.40695 15.54987 18.93863       17.41701  11.37006       
30.15857  22.72614       21.33443  45.85750 19.21867 47.28087 17.17347 
-1.423374      25.77373 
1 1 1 -7  39 15 o 71.71753 13.89502 58.05391       19.53262  67.68209       
22.60956  29.72503       38.78241  77.00523 14.97766 55.72806 22.38905 
21.27716       26.93696 
1 1 1 -7  39 16 o 79.99654 10.48077 69.54411       16.63953  78.64748       
23.07648  59.68497       24.01528  83.09821 14.16400 70.57331 16.94728 
12.52489       22.08685 
1 1 1 -7  39 17 f 79.10120 10.91195 69.13537       17.08510  48.32874       
23.93619  90.74601       24.39429  62.01059 17.95217 88.70208 13.98739 
-26.69149      22.75802 
1 1 1 -7  39 18 o 126.9909 7.371229 171.2765       18.95359  156.3752       
26.40380  187.1178       27.22386  118.1824 11.11723 130.0971 10.37668 
-11.91463      15.20751 
1 1 1 -7  39 19 o 79.48925 10.87721 72.46198       17.12105  97.02312       
25.97376  53.59039       22.76747  87.94813 15.06493 62.70208 17.29461 
25.24605       22.93590 
1 1 1 -7  40 1  o 136.3040 7.659831 192.9252       21.14537  201.3554       
29.72390  184.2874       30.08755  137.9265 10.68085 131.5828 11.35564 
6.343781       15.58946 
1 1 1 -7  40 2  o 98.90345 9.227536 102.8461       18.34442  113.0658       
26.58947  93.56337       25.34136  102.1154 13.10719 92.39883 13.91879 
9.716606       19.11886 
1 1 1 -7  40 3  o 55.47318 14.72296 34.49978       16.88447  -5.771504      
23.80136  75.29574       23.95590  35.99993 16.04717 82.33427 14.85459 
-46.33435      21.86711 
1 1 1 -7  40 4  o 111.2581 8.630767 129.3802       19.37404  119.4478       
27.51331  139.1494       27.28617  105.0060 13.17483 114.0352 11.94385 
-9.029259      17.78290 
1 1 1 -7  40 5  o 74.85402 11.92982 60.67066       17.54979  55.50784       
24.47547  66.13401       25.17775  69.51809 17.36441 76.25388 16.69935 
-6.735786      24.09131 
1 1 1 -7  40 6  o 85.61510 4.250917 74.93941       7.400898  77.72649       
7.741036  45.29911       25.24440  87.06894 4.386119 62.69690 18.51864 
24.37204       19.03098 
1 1 1 -7  40 7  o 37.19138 9.732071 15.00507       7.445519  12.15805       
7.864353  39.61824       23.12339  33.92141 10.40740 58.93607 17.79731 
-25.01466      20.61694 
1 1 1 -7  40 8  o 129.9597 4.361863 172.7816       11.52743  176.8230       
12.61218  152.2727       28.41130  131.4024 4.719931 119.1840 11.88088 
12.21835       12.78409 
1 1 1 -7  40 9  o 157.2716 3.895935 252.7704       12.45987  246.7107       
14.88346  266.9664       22.78041  155.1923 4.716094 160.7348 6.969474 
-5.542572      8.415172 
1 1 1 -7  40 10 o 75.18673 8.171939 59.45474       12.29328  48.58971       
15.63568  77.04420       19.89426  66.60476 11.98480 84.27155 11.94327 
-17.66679      16.91973 
1 1 1 -7  40 11 o 132.7277 5.681361 181.2161       15.33435  179.2988       
20.39820  183.7077       23.25330  131.1883 7.679684 132.3566 8.687702 
-1.168365      11.59542 
1 1 1 -7  40 12 o 76.96478 8.784766 62.69709       13.50275  38.13725       
17.82307  95.78365       20.68690  57.77987 15.02731 94.39915 10.98169 
-36.61927      18.61229 
1 1 1 -7  40 13 o 131.5844 6.181314 178.6850       16.54004  180.0546       
22.51783  177.0803       24.37466  130.9787 8.500179 129.4825 9.319448 
1.496216       12.61369 
1 1 1 -7  40 14 o 36.88267 15.05475 8.127666       17.85448  -3.922256      
31.70678  13.72286       21.60565  41.20016 18.43181 42.08695 16.77906 
-0.8867874     24.92526 
1 1 1 -7  40 15 o 127.5155 7.044972 169.7739       18.19726  170.6178       
25.36328  168.8788       26.12317  126.2069 9.963624 125.3138 10.34366 
0.8930893      14.36194 
1 1 1 -7  40 16 o 60.50288 13.58148 42.45811       16.30013  23.56337       
22.17051  64.68752       24.04746  46.70358 17.41230 73.10558 16.55984 
-26.40200      24.02950 
1 1 1 -7  40 17 o 117.5477 7.757529 147.0238       18.43913  143.8435       
25.49443  150.5122       26.70112  113.6193 11.17896 115.9763 11.47206 
-2.357040      16.01803 
1 1 1 -7  40 18 o 30.47553 13.30785 1.872895       15.59053  18.40655       
22.05938  -14.62768      22.03730  41.81815 16.85560 29.65386 13.99376 
12.16429       21.90746 
1 1 1 -7  40 19 o 52.67903 14.66085 36.35225       16.28136  30.20574       
23.26536  42.25146       22.79255  46.63727 17.73869 53.85247 17.85163 
-7.215195      25.16629 
1 1 1 -7  41 1  o 113.1062 8.205501 133.7829       18.74466  138.0521       
25.45853  128.7284       27.70114  113.5982 11.16498 108.8516 12.75633 
4.746658       16.95230 
1 1 1 -7  41 2  o 118.6934 8.213058 147.1946       19.70175  143.9969       
28.13724  150.2704       27.59562  115.5824 12.15325 118.3815 11.61268 
-2.799049      16.80940 
1 1 1 -7  41 3  o 88.29486 10.11244 82.94609       17.82954  90.87257       
25.99943  75.90917       24.49714  90.41852 14.64072 82.21150 15.21348 
8.207016       21.11399 
1 1 1 -7  41 4  o 127.9748 7.430856 170.1497       19.25489  155.8212       
26.51490  186.1367       28.00741  120.9730 10.89519 132.5100 10.47927 
-11.53696      15.11689 
1 1 1 -7  41 5  o 156.8207 6.743861 253.8938       21.50619  227.5102       
30.61383  279.6007       30.21871  146.6393 10.33243 163.3071 9.136178 
-16.66785      13.79235 
1 1 1 -7  41 6  o 74.91238 4.497018 57.65710       6.818905  54.65746       
7.080301  96.04621       25.32920  72.87607 4.804617 93.41788 13.74419 
-20.54182      14.55978 
1 1 1 -7  41 7  o 141.7603 3.976056 205.4614       11.46195  207.6071       
12.42736  193.2390       29.66069  142.4341 4.290554 134.6849 10.92367 
7.749222       11.73608 
1 1 1 -7  41 8  o 93.27859 5.237975 89.61516       9.895452  92.69308       
10.79485  73.41908       24.76242  94.77981 5.625990 80.38496 15.71161 
14.39484       16.68851 
1 1 1 -7  41 9  o 83.57873 6.109935 72.37793       10.31249  73.70652       
11.29434  65.71784       25.28752  84.20274 6.650166 75.24689 16.93486 
8.955841       18.19380 
1 1 1 -7  41 10 o 118.4632 5.867044 144.5737       14.13364  159.6309       
18.58396  123.9162       21.76737  123.7908 7.416584 107.9197 10.03358 
15.87111       12.47711 
1 1 1 -7  41 11 o 95.13964 7.181056 94.40974       13.79079  103.6961       
18.18155  81.82883       21.16233  98.98715 9.135416 86.40582 12.39930 
12.58134       15.40125 
1 1 1 -7  41 12 o 79.84938 8.682345 67.53491       13.87087  70.68677       
18.34347  63.32605       21.19731  80.53770 11.52929 74.77474 14.46341 
5.762955       18.49635 
1 1 1 -7  41 13 o 54.16887 12.98888 33.18421       14.12278  6.524907       
18.94918  66.49664       21.18210  36.77343 15.30801 76.67080 14.10565 
-39.89737      20.81597 
1 1 1 -7  41 14 o 66.31573 17.84862 53.44550       24.60102  49.63648       
33.94810  57.65782       35.70017  62.82289 21.77597 66.76855 22.34826 
-3.945663      31.20317 
1 1 1 -7  41 15 o 95.59961 8.889449 97.76604       17.08357  104.0762       
23.35367  90.50265       25.05565  96.67688 12.14723 88.56519 14.40730 
8.111687       18.84477 
1 1 1 -7  41 16 o 106.4923 9.103283 122.4786       19.52425  118.3527       
31.42841  125.0715       24.91518  98.85094 16.19577 105.5854 11.80612 
-6.734489      20.04214 
1 1 1 -7  41 17 o 89.67924 9.694242 89.01236       17.39767  95.58344       
24.52205  82.35267       24.68684  89.33879 13.95415 81.44790 15.47078 
7.890892       20.83418 
1 1 1 -7  41 18 o 37.82152 14.47653 16.03336       15.55630  36.25121       
23.54370  0.3670861      20.72479  50.47261 18.07932 32.80241 14.77014 
17.67020       23.34564 
1 1 1 -7  41 19 o 51.81810 14.53537 36.08208       15.93804  63.11750       
25.05058  17.69554       20.65862  64.42982 18.27572 39.00461 16.08852 
25.42521       24.34835 
1 1 1 -7  42 1  o 47.95284 15.42026 25.51062       17.06920  35.56734       
24.19138  15.53972       24.08794  55.67967 18.38811 44.48387 17.72237 
11.19580       25.53831 
1 1 1 -7  42 2  o 98.52998 9.152693 102.6694       18.12916  119.5783       
25.28208  84.77219       26.01044  104.9791 12.06204 86.50655 15.34794 
18.47253       19.52055 
1 1 1 -7  42 3  o 29.03590 13.09506 -6.355017      16.36655  0.2353803E-01  
22.40565  -13.65200      23.96448  36.68820 15.98894 33.25874 15.32036 
3.429459       22.14407 
1 1 1 -7  42 4  o 154.5676 6.927330 247.3253       21.77387  275.8115       
31.51278  221.3011       30.12020  161.6329 9.631204 144.3213 10.33138 
17.31157       14.12436 
1 1 1 -7  42 5  o 90.39046 9.518591 86.76983       17.23334  84.82035       
25.64873  88.37420       23.26807  86.71221 15.09401 89.56787 13.16794 
-2.855659      20.03057 
1 1 1 -7  42 6  o 129.7581 3.588377 172.0413       9.468563  172.2775       
10.10253  170.3347       27.15644  129.8032 3.827307 126.3076 10.67276 
3.495651       11.33826 
1 1 1 -7  42 7  o 70.86380 5.766350 52.05024       8.237473  61.77578       
8.836311  -12.49472      22.76383  77.26418 5.663406 32.59385 14.98348 
44.67034       16.01808 
1 1 1 -7  42 8  o 93.43559 5.305449 90.04324       10.03902  89.80112       
10.90759  91.38448       25.67210  93.18531 5.784697 90.25082 14.47753 
2.934494       15.59044 
1 1 1 -7  42 9  o 86.59139 5.974586 77.70350       10.45608  76.84686       
11.58752  81.45860       24.26060  85.90751 6.685625 84.98997 14.56112 
0.9175415      16.02260 
1 1 1 -7  42 10 o 39.16108 11.51919 16.81773       9.785523  18.15788       
11.25350  12.66269       19.81522  40.70107 12.44328 40.57692 16.10285 
0.1241455      20.35036 
1 1 1 -7  42 11 o 22.53391 10.56453 -11.19162      12.20393  -25.72865      
15.73851  10.73004       19.32691  22.29104 10.84919 39.19519 15.78462 
-16.90415      19.15356 
1 1 1 -7  42 12 o 52.09377 13.02536 30.80364       13.76181  47.39719       
18.20678  8.688064       21.01903  64.28194 14.29757 39.09608 16.18585 
25.18586       21.59634 
1 1 1 -7  42 13 o 69.11952 10.91950 52.45837       14.83836  68.02920       
20.40190  34.97228       21.62027  77.57239 13.41906 54.31140 17.34306 
23.26099       21.92836 
1 1 1 -7  42 14 o 66.26630 17.58453 54.25876       24.08831  24.57604       
33.33932  86.67826       34.84240  50.49406 20.58696 81.36837 20.93607 
-30.87431      29.36226 
1 1 1 -7  42 15 o 121.6113 7.284148 156.1346       17.93081  170.1494       
24.60502  140.2627       26.18463  125.1892 9.741793 112.0875 11.65842 
13.10168       15.19280 
1 1 1 -7  42 16 o 40.49890 15.35704 17.64001       17.40401  18.64293       
28.45739  17.04075       21.99749  44.52659 18.66522 41.71498 16.82564 
2.811611       25.12952 
1 1 1 -7  42 17 o 37.29031 14.39073 14.93338       15.45862  8.828726       
22.06251  20.82082       21.66644  36.96041 15.98708 42.32574 16.82517 
-5.365334      23.20933 
1 1 1 -7  42 18 o 23.79691 11.32955 -12.82589      15.07000  0.2126197      
23.04255  -22.57107      19.92101  33.32282 15.22791 25.34474 12.30543 
7.978086       19.57838 
1 1 1 -7  43 1  o 34.60262 14.41867 5.299758       16.83517  15.73120       
24.23190  -4.433217      23.40658  44.33686 17.73809 35.51825 15.86703 
8.818615       23.79922 
1 1 1 -7  43 2  o 33.35028 13.78716 5.300178       15.21910  23.06547       
20.53696  -16.34016      22.66637  46.89778 16.87628 31.24927 14.56751 
15.64850       22.29397 
1 1 1 -7  43 3  o 57.31377 14.33415 37.61573       16.66335  27.53371       
23.61355  47.61617       23.51782  50.47005 18.10319 63.25617 17.62585 
-12.78612      25.26650 
1 1 1 -7  43 4  o 50.23690 15.61215 28.68919       17.63284  48.45506       
24.97894  9.056771       24.89448  63.58228 18.31936 41.76700 17.47967 
21.81528       25.32069 
1 1 1 -7  43 5  o 27.69471 12.51162 -6.059865      15.01519  -48.01196      
21.82079  31.66926       20.69341  23.81504 11.81645 52.58593 16.98575 
-28.77090      20.69164 
1 1 1 -7  43 6  o 111.2748 3.736624 126.6478       8.455275  132.0690       
8.980765  84.34824       25.08619  113.6037 3.887492 86.21726 14.84388 
27.38641       15.34449 
1 1 1 -7  43 7  o 77.46149 5.544743 62.12393       8.676350  64.25138       
9.210637  45.36592       25.85059  78.71879 5.794607 61.40346 18.87383 
17.31533       19.74333 
1 1 1 -7  43 8  f 82.91470 5.984354 71.35316       10.02241  71.84763       
10.84218  68.44931       26.27468  83.06139 6.470023 75.92552 17.39131 
7.135864       18.55583 
1 1 1 -7  43 9  o 79.91171 6.635849 66.63934       10.68591  72.21270       
11.98932  45.10602       23.56630  83.03345 7.170874 61.34246 17.82857 
21.69099       19.21664 
1 1 1 -7  43 10 o 67.03911 8.480771 47.87161       11.30292  44.76246       
12.51053  61.68425       26.36895  64.27821 9.887934 71.38578 18.13029 
-7.107574      20.65136 
1 1 1 -7  43 11 o 50.74472 12.69960 29.23501       13.07359  19.49795       
16.88337  43.81707       20.66117  43.09435 15.32337 60.73640 16.36133 
-17.64206      22.41648 
1 1 1 -7  43 12 o 42.24109 13.76815 19.77150       13.57888  25.72393       
18.00296  11.91621       20.68129  47.55571 15.87034 40.16017 16.27375 
7.395535       22.73110 
1 1 1 -7  43 13 o 102.0307 7.657202 109.9587       15.77151  93.46233       
21.39113  129.6069       23.34535  91.75383 11.73330 108.9764 10.67151 
-17.22258      15.86037 
1 1 1 -7  43 14 o 73.25108 16.89987 66.64465       24.66132  84.89622       
35.52135  49.66103       34.26529  78.39140 21.59405 60.34727 21.78801 
18.04412       30.67606 
1 1 1 -7  43 15 o 88.60368 10.58646 87.70248       18.69684  112.8712       
23.74335  46.62259       30.33373  99.44144 11.98283 57.71755 20.53765 
41.72389       23.77779 
1 1 1 -7  43 16 o 92.27505 9.763094 95.27517       18.04166  92.34328       
28.78352  97.17249       23.15481  82.96889 17.60499 90.20363 12.99834 
-7.234741      21.88361 
1 1 1 -7  43 17 o 40.59188 14.38641 20.89297       14.87014  9.727744       
21.65097  30.86243       20.45876  36.25750 15.76000 46.83305 16.84505 
-10.57555      23.06802 
1 1 1 -7  43 18 o 37.84219 14.28818 18.32831       15.02485  3.834404       
22.59148  29.82377       20.11941  33.48470 15.21485 44.78917 16.60925 
-11.30447      22.52462 
1 1 1 -7  44 1  o 139.2049 7.791972 203.3816       21.96877  199.0844       
31.66424  207.3700       30.50523  135.1777 11.63224 138.5212 10.91796 
-3.343506      15.95339 
1 1 1 -7  44 2  o 72.28291 12.73117 58.50672       18.02993  62.54799       
25.36806  54.38146       25.63031  72.12160 17.47955 66.74367 18.32527 
5.377937       25.32489 
1 1 1 -7  44 3  o 69.33716 12.25334 53.55243       16.64524  29.81744       
23.23426  78.57886       23.85798  51.36930 18.00313 82.90755 14.68872 
-31.53824      23.23513 
1 1 1 -7  44 4  o 27.48608 12.59362 -8.621672      15.89988  1.263922       
24.12095  -16.21751      21.14371  37.90954 16.55353 29.87259 13.97335 
8.036945       21.66273 
1 1 1 -7  44 5  o 55.13127 14.38507 35.11016       16.29757  63.64881       
25.55814  15.55385       21.15709  72.82933 17.47956 42.56012 16.71839 
30.26921       24.18759 
1 1 1 -7  44 6  o 70.38216 4.399716 51.01963       6.265472  47.91307       
6.502795  91.26504       23.40554  68.13032 4.722772 90.44349 13.10798 
-22.31317      13.93283 
1 1 1 -7  44 7  o 153.9277 3.975250 242.7261       12.44322  246.7964       
13.55256  220.8724       31.40292  155.1154 4.296502 143.0629 10.87567 
12.05258       11.69359 
1 1 1 -7  44 8  o 150.4637 4.282890 232.2282       13.10448  229.3365       
14.49661  245.1519       30.64671  149.3654 4.772709 151.3722 10.01259 
-2.006714      11.09192 
1 1 1 -7  44 9  o 34.46703 11.61617 12.34991       9.645806  9.753696       
10.57686  25.17929       23.51198  32.64365 12.05504 48.56323 17.96572 
-15.91958      21.63541 
1 1 1 -7  44 10 o 86.31254 6.821882 78.00139       11.87614  71.87382       
13.34230  101.3756       26.05888  82.35714 8.070394 94.51736 13.97966 
-12.16022      16.14194 
1 1 1 -7  44 11 o 40.34860 12.09676 18.23031       10.71107  17.90914       
12.56825  19.08258       20.47365  40.34391 13.25057 43.77576 16.64278 
-3.431850      21.27345 
1 1 1 -7  44 12 o 63.09411 11.41465 44.65437       14.10633  51.46999       
19.20969  36.67767       20.78162  66.00257 14.69042 54.76974 16.93707 
11.23283       22.42036 
1 1 1 -7  44 13 o 33.81450 14.21787 5.754561       16.59352  6.710480       
19.42904  3.177700       31.89968  36.14828 15.30169 41.56725 18.54965 
-5.418964      24.04644 
1 1 1 -7  44 14 o 118.9435 8.600727 152.8376       20.66282  146.3574       
39.67533  155.2494       24.20440  105.1535 19.26426 118.5499 10.13768 
-13.39639      21.76888 
1 1 1 -7  44 15 o 35.16918 14.68823 9.198025       17.52721  -11.25272      
21.64107  48.18778       29.88129  30.15879 14.11660 56.78812 20.36503 
-26.62933      24.77929 
1 1 1 -7  44 16 o 83.30598 9.806565 79.10927       16.29473  73.78502       
23.57007  83.98354       22.55208  74.05969 16.10900 81.49901 14.11913 
-7.439316      21.42077 
1 1 1 -7  44 17 o 64.34840 12.25564 51.74366       15.45141  65.14794       
23.59921  41.68566       20.44238  66.03639 17.34866 52.54185 16.87310 
13.49454       24.20078 
1 1 1 -7  45 1  o 54.65320 15.14899 35.22464       17.42049  21.41060       
23.68721  51.49803       25.70943  46.29554 17.82837 64.29630 18.60277 
-18.00076      25.76652 
1 1 1 -7  45 2  o 37.01740 14.88367 9.954291       17.15364  17.34912       
24.54713  2.896858       23.98060  44.64208 17.85561 38.13751 16.58171 
6.504574       24.36752 
1 1 1 -7  45 3  o 89.02691 10.35066 85.99821       18.38899  78.21832       
25.04891  95.09212       27.08182  81.72630 15.64196 90.58242 15.24354 
-8.856117      21.84116 
1 1 1 -7  45 4  o 94.75275 9.989814 96.87261       18.95857  72.45819       
27.89045  117.8434       25.84874  76.90388 18.13001 102.9334 12.61289 
-26.02956      22.08580 
1 1 1 -7  45 5  o 103.3177 9.176023 114.0174       19.07819  120.9612       
27.17564  107.2695       26.78976  103.9283 13.15305 97.26105 13.94392 
6.667229       19.16861 
1 1 1 -7  45 6  o 105.2519 9.600391 118.8390       20.32194  160.8189       
31.05863  87.41197       26.87279  120.1684 12.91238 86.33842 15.89140 
33.82999       20.47599 
1 1 1 -7  45 7  o 174.6643 3.870706 312.6263       13.74820  319.3908       
15.18481  281.8657       32.38089  176.4094 4.232884 162.1601 9.866501 
14.24927       10.73616 
1 1 1 -7  45 8  o 118.4722 4.809036 144.4744       11.58580  150.3475       
12.68953  115.0513       28.40247  120.7421 5.168156 100.3403 14.32644 
20.40175       15.23012 
1 1 1 -7  45 9  o 54.67509 9.653263 32.75708       10.34043  33.45419       
11.30483  29.18638       25.58537  54.93158 10.50304 50.75233 18.74797 
4.179249       21.48954 
1 1 1 -7  45 10 o 77.51379 7.667576 63.73386       11.92768  73.70076       
13.55926  29.63457       25.08006  83.20309 8.117311 50.64609 18.58581 
32.55701       20.28110 
1 1 1 -7  45 11 o 109.5462 6.082789 125.2227       13.49708  124.9083       
14.87694  126.6854       32.09040  109.0928 6.739038 103.1483 15.80245 
5.944496       17.17941 
1 1 1 -7  45 12 o 45.43233 13.73365 24.36723       13.76420  25.82057       
18.99315  22.75975       19.97498  46.66284 16.28158 44.86554 16.56698 
1.797306       23.22831 
1 1 1 -7  45 13 o 42.68512 15.09823 21.28050       16.37024  27.02965       
19.89877  9.241694       28.79494  46.91854 16.64066 41.20995 18.03806 
5.708595       24.54145 
1 1 1 -7  45 14 o 55.36420 14.50164 38.63450       16.52121  35.42442       
35.01862  39.55357       18.73760  50.74186 20.94016 55.01649 15.87084 
-4.274635      26.27497 
1 1 1 -7  45 15 o 33.85957 14.93669 4.978324       20.09585  21.45708       
26.78145  -16.25578      30.40107  42.70722 18.01536 33.30204 15.92005 
9.405182       24.04166 
1 1 1 -7  45 16 o 76.64285 10.28495 69.09558       15.62525  54.38710       
23.37048  80.98527       21.01207  59.20902 17.89493 79.45575 13.48666 
-20.24673      22.40800 
1 1 1 -7  45 17 o 34.77885 13.84117 14.77461       14.67834  4.190774       
22.13201  23.08569       19.61228  32.62447 14.91470 39.91431 15.96177 
-7.289845      21.84551 
1 1 1 -7  46 1  o 91.40379 11.09445 92.10542       20.19889  57.67747       
28.11574  128.8282       29.03765  66.84451 19.48677 106.2105 13.76842 
-39.36604      23.86008 
1 1 1 -7  46 2  o 37.97053 14.98498 12.08193       17.07126  5.285065       
22.43868  21.42237       26.30432  37.83929 16.24310 46.82745 18.56267 
-8.988159      24.66599 
1 1 1 -7  46 3  o 113.3248 8.320270 136.3843       19.04001  150.4779       
27.76810  123.8783       26.15731  116.5810 11.87893 105.2669 12.46124 
11.31401       17.21602 
1 1 1 -7  46 4  o 88.24095 10.83394 85.43816       19.03214  98.79292       
27.86095  73.75393       26.06022  91.72884 15.48765 77.97993 16.92024 
13.74891       22.93822 
1 1 1 -7  46 5  o 97.97292 10.30505 104.4140       20.22312  83.74288       
30.00546  121.6195       27.37485  82.00909 18.44002 103.6866 13.28888 
-21.67747      22.72946 
1 1 1 -7  46 6  o 74.99558 12.42125 63.44367       18.28015  51.90107       
25.50242  75.64168       26.21645  64.14820 18.51841 79.01371 16.83161 
-14.86551      25.02468 
1 1 1 -7  46 7  o 63.48466 6.478807 42.38713       8.246811  42.48168       
8.692925  41.53623       26.07809  63.43447 6.847503 57.49482 19.09671 
5.939655       20.28726 
1 1 1 -7  46 8  o 121.8847 4.708863 153.0755       11.67123  150.7079       
12.80312  164.7172       28.39063  120.7580 5.213727 122.0112 11.58138 
-1.253174      12.70084 
1 1 1 -7  46 9  o 86.75104 6.500549 78.97115       11.38432  80.64265       
12.73263  72.30907       25.41966  87.35080 7.233107 76.74344 16.75797 
10.60736       18.25232 
1 1 1 -7  46 10 o 60.85049 9.757609 40.87020       11.66619  38.97772       
13.06746  48.30177       25.89497  58.60677 11.37482 60.70552 18.92835 
-2.098747      22.08323 
1 1 1 -7  46 11 o 50.25709 11.95725 29.37892       12.04288  26.65816       
13.12777  43.82890       30.25382  47.39004 13.15604 56.73385 20.47456 
-9.343811      24.33699 
1 1 1 -7  46 12 o 43.18342 12.39660 22.08121       11.45709  31.42145       
14.02116  3.313753       19.87504  50.96450 13.36437 34.27468 14.99463 
16.68982       20.08595 
1 1 1 -7  46 13 o 62.16140 12.75549 46.49866       15.58332  75.42630       
21.33850  13.43954       22.81146  78.56297 13.86334 39.41795 16.62713 
39.14503       21.64841 
1 1 1 -7  46 14 o 43.46785 15.00722 24.61794       16.11583  59.60253       
34.85817  15.10731       18.17485  58.18135 21.80540 37.69457 15.26237 
20.48678       26.61607 
1 1 1 -7  46 15 o 47.39932 17.20107 34.12884       21.39614  46.74931       
28.54829  17.95463       32.31869  51.86510 19.66822 40.81206 18.40424 
11.05304       26.93613 
1 1 1 -7  46 16 o 64.03979 15.03580 58.23219       19.24591  48.50664       
23.32412  78.98217       34.06882  53.33015 18.06283 61.17865 21.76579 
-7.848499      28.28455 
1 1 1 -7  47 1  o 68.96995 13.70857 55.72659       18.54934  76.33930       
24.80260  29.56426       27.94267  79.30360 15.93288 50.34961 19.37099 
28.95398       25.08170 
1 1 1 -7  47 2  o 37.84914 15.40453 10.90656       18.62564  12.54434       
25.10671  8.901956       27.77643  41.85781 17.53848 41.67680 17.98277 
0.1810150      25.11929 
1 1 1 -7  47 3  o 91.19235 10.89756 91.98006       19.80844  112.9546       
28.53862  72.48161       27.51610  98.10497 14.76248 75.61741 18.12930 
22.48756       23.37953 
1 1 1 -7  47 4  o 79.81426 11.46596 71.25686       18.07545  70.88458       
26.79639  71.56767       24.48483  75.03063 17.82623 76.70930 16.20416 
-1.678673      24.09044 
1 1 1 -7  47 5  o 100.5366 9.919814 110.1206       20.01613  120.9719       
29.79288  101.1930       27.02350  101.4626 14.88191 92.72836 14.83083 
8.734276       21.01011 
1 1 1 -7  47 6  o 90.03449 11.34455 90.36050       20.30941  105.9500       
29.86293  76.94528       27.70229  93.56974 16.28603 78.15840 17.82469 
15.41134       24.14444 
1 1 1 -7  47 7  o 110.7119 4.528024 126.3418       10.19423  129.4964       
10.89181  104.0544       28.95075  111.9978 4.782328 92.89259 15.89749 
19.10519       16.60123 
1 1 1 -7  47 8  o 22.18945 9.882457 -2.290816      9.005671  1.084102       
9.621111  -26.16737      25.59054  24.96656 10.67444 30.15266 14.46527 
-5.186094      17.97742 
1 1 1 -7  47 9  o 168.5923 4.564217 293.4696       15.64787  288.5356       
17.42570  314.0159       35.55994  166.8308 5.136444 168.8332 10.40816 
-2.002441      11.60659 
1 1 1 -7  47 10 o 143.4333 5.102613 213.5649       14.88312  206.7405       
16.52326  242.9113       34.26412  140.7183 5.774228 146.5280 11.59388 
-5.809738      12.95221 
1 1 1 -7  47 11 f 49.46202 11.90397 28.94550       11.82867  28.52328       
12.96996  31.03279       28.83786  48.57685 12.90926 49.08019 19.44227 
-0.5033417     23.33776 
1 1 1 -7  47 12 f 59.03933 12.27830 41.81720       14.26071  41.81720       
14.26071  0.000000       0.000000  59.03933 12.27830 ?        ?        
0.000000       12.27830 
1 1 1 -7  47 13 o 25.09939 11.43383 -3.646380      12.86212  8.893802       
19.74131  -12.89608      16.95462  35.17530 15.16891 25.52582 12.11337 
9.649488       19.41211 
1 1 1 -7  47 14 o 29.13147 12.92122 2.340555       15.24006  14.64911       
34.15515  -0.7192057     17.02928  40.12732 18.41218 29.05970 13.20633 
11.06762       22.65868 
1 1 1 -7  47 15 o 30.58179 14.07231 0.7194986      20.14647  -8.077585      
26.60754  12.53936       30.84194  31.20657 14.91147 37.34772 17.26602 
-6.141150      22.81375 
1 1 1 -7  48 1  o 43.46046 16.01908 21.59863       18.66033  38.32405       
25.95064  3.691407       26.85181  53.83361 19.01301 38.63651 17.14355 
15.19711       25.60070 
1 1 1 -7  48 2  o 33.86364 14.53367 4.497544       17.95805  -17.10942      
24.29297  30.53114       26.66557  31.12817 14.69041 49.87594 18.98592 
-18.74777      24.00570 
1 1 1 -7  48 3  o 97.90289 10.34495 106.0532       20.28371  87.73051       
29.42919  122.6342       27.99549  82.50552 18.04313 102.2958 13.81101 
-19.79030      22.72220 
1 1 1 -7  48 4  o 38.96664 15.21268 14.64391       17.43038  -24.81448      
24.91481  52.46992       24.39401  29.82735 14.29962 63.27318 18.06495 
-33.44583      23.03956 
1 1 1 -7  48 5  o 162.4888 7.289838 279.0770       24.08755  296.2771       
35.00239  263.6035       33.19900  163.7711 10.56653 154.3611 10.64135 
9.410095       14.99633 
1 1 1 -7  48 6  o 114.1362 9.081719 141.4569       20.90430  170.3080       
30.26051  115.1203       28.91187  122.1268 12.35462 97.79443 15.01835 
24.33234       19.44704 
1 1 1 -7  48 7  o 25.46443 10.09016 4.604532       7.769251  4.756999       
8.160993  3.129799       25.38117  25.97867 10.32638 37.61838 16.68080 
-11.63971      19.61844 
1 1 1 -7  48 8  o 103.4070 5.316818 111.5359       11.14246  111.3050       
12.24573  112.6468       26.86126  103.0167 5.869857 97.16219 13.99898 
5.854477       15.17982 
1 1 1 -7  48 9  o 30.04333 11.72711 7.765483       10.35675  3.811404       
11.20017  31.09280       27.20409  27.95367 11.71345 49.03371 19.04330 
-21.08005      22.35737 
1 1 1 -7  48 10 o 82.86711 7.534627 74.14786       12.55810  75.94289       
13.88088  66.05340       29.47646  83.36373 8.298491 66.61800 20.08881 
16.74574       21.73535 
1 1 1 -7  48 11 o 58.95669 10.61112 40.41095       12.25390  39.06042       
13.41401  47.22122       30.12237  57.00391 11.95367 54.72201 20.31695 
2.281902       23.57263 
1 1 1 -7  48 12 f 42.70577 13.79360 23.59589       13.64653  23.59589       
13.64653  0.000000       0.000000  42.70577 13.79360 ?        ?        
0.000000       13.79360 
1 1 1 -7  48 13 o 25.62678 11.07606 2.500302       10.57310  -7.678276      
13.86362  16.65121       16.34651  24.01929 11.26062 36.89101 14.63023 
-12.87172      18.46200 
1 1 1 -7  48 14 o 85.58955 9.846967 87.20567       16.82623  146.2658       
41.51110  75.59410       18.40613  84.54241 23.36656 76.86138 12.18242 
7.681030       26.35161 
1 1 1 -7  48 15 o 44.94689 17.54246 37.79552       23.17302  24.67200       
34.82823  48.22011       31.04098  38.78386 18.07245 46.25251 19.44679 
-7.468651      26.54791 
1 1 1 -7  49 1  o 55.90761 16.21207 40.98176       19.50640  48.21995       
27.95297  34.11136       27.23353  57.57970 19.77113 50.22282 19.17056 
7.356884       27.53921 
1 1 1 -7  49 2  o 67.89557 14.46398 56.86662       19.35875  74.61977       
28.66925  41.98801       26.24580  73.28939 19.05790 54.77106 19.13776 
18.51833       27.00847 
1 1 1 -7  49 3  o 56.44603 16.08661 41.22562       19.36168  54.40874       
28.30663  29.63525       26.54163  61.47942 19.86691 48.37455 18.80367 
13.10487       27.35456 
1 1 1 -7  49 4  o 76.70613 13.16827 69.92740       19.80062  59.63976       
27.91685  80.34198       28.08855  64.79744 19.55246 77.43460 18.15344 
-12.63716      26.68044 
1 1 1 -7  49 5  o 70.60957 14.22968 60.95173       19.72603  80.29036       
30.08181  46.36275       26.12784  75.82819 19.42249 57.42564 19.11689 
18.40256       27.25232 
1 1 1 -7  49 6  o 35.55219 15.03876 8.325424       18.74594  8.546559       
28.86343  8.164098       24.65316  40.32460 17.83904 38.41129 16.75490 
1.913311       24.47362 
1 1 1 -7  49 7  o 61.69686 7.219994 41.05716       8.887091  43.33876       
9.460008  23.91362       25.93113  63.26824 7.498772 45.08935 18.23956 
18.17889       19.72088 
1 1 1 -7  49 8  o 47.80899 10.33439 26.46972       9.754312  20.34286       
10.45452  67.66617       27.10911  41.24032 11.84267 68.84017 18.82408 
-27.59985      22.23949 
1 1 1 -7  49 9  o 38.48060 12.29860 17.79063       10.87048  15.51507       
11.84414  29.94892       27.37765  36.51773 12.85049 46.94118 18.82801 
-10.42345      22.79537 
1 1 1 -7  49 10 o 35.99886 12.90178 15.22140       11.99126  15.51576       
13.19450  13.82473       28.74110  36.46722 13.46492 40.19324 17.79005 
-3.726021      22.31121 
1 1 1 -7  49 11 o 49.76822 12.93111 31.79622       13.20588  31.79622       
13.20588  0.000000       0.000000  49.76822 12.93111 ?        ?        
0.000000       12.93111 
1 1 1 -7  49 12 o 50.39169 12.87665 33.38071       13.24412  33.38071       
13.24412  0.000000       0.000000  50.39169 12.87665 ?        ?        
0.000000       12.87665 
1 1 1 -7  49 13 o 19.80694 9.578702 -13.34975      11.76736  -19.19987      
12.64986  24.24378       32.06710  19.15604 9.407610 39.86721 18.11958 
-20.71117      20.41623 
1 1 1 -7  49 14 o 22.32609 10.46508 -5.418534      11.96542  -25.26808      
17.53475  11.87877       16.36867  21.72924 10.74792 32.32592 13.87472 
-10.59669      17.55066 
1 1 1 -7  50 1  o 48.81728 16.28096 32.56105       18.94770  56.50383       
26.63632  8.035036       26.95878  60.96182 19.22718 38.15787 17.03865 
22.80395       25.69047 
1 1 1 -7  50 2  o 73.18443 13.80481 66.57639       19.79139  49.78695       
29.42796  80.44172       26.74282  56.30101 20.20789 76.31577 17.59265 
-20.01476      26.79291 
1 1 1 -7  50 3  o 39.33232 15.66214 16.95927       18.80432  15.99090       
28.14629  17.73995       25.27197  41.60335 18.02625 41.49119 17.50123 
0.1121597      25.12447 
1 1 1 -7  50 4  o 66.76358 15.03401 57.36403       19.91987  37.77957       
28.95553  74.96088       27.44688  50.69337 19.65822 72.52901 18.53883 
-21.83563      27.02099 
1 1 1 -7  50 5  o 65.38557 15.46868 55.92305       20.24625  32.86236       
29.95078  75.32785       27.47430  48.36106 19.58857 72.59205 18.54437 
-24.23099      26.97417 
1 1 1 -7  50 6  o 31.22748 13.76428 2.501343       17.03050  -1.317346      
26.41829  5.216706       22.27725  35.18612 16.16269 35.27681 15.63576 
-0.9069443E-01 22.48799 
1 1 1 -7  50 7  o 97.48844 5.092729 99.72964       10.06109  104.6281       
10.78857  67.03837       27.87074  99.70716 5.340310 66.22988 19.42867 
33.47728       20.14924 
1 1 1 -7  50 8  o 29.27075 11.13482 8.497338       9.167934  5.688728       
9.938969  24.52132       23.74001  27.57996 11.24208 43.18805 17.45843 
-15.60809      20.76491 
1 1 1 -7  50 9  f 20.85820 9.733092 -6.577680      10.15814  -10.27736      
11.12528  11.96868       24.90913  20.55497 9.771284 37.66152 16.62091 
-17.10655      19.28037 
1 1 1 -7  50 10 o 131.3461 5.558965 183.2766       14.84782  182.7649       
16.40248  185.5986       34.94036  130.5029 6.180706 117.2375 14.99971 
13.26540       16.22321 
1 1 1 -7  50 11 o 22.09651 10.39749 -7.443645      12.00729  -7.443645      
12.00729  0.000000       0.000000  22.09651 10.39749 ?        ?        
0.000000       10.39749 
1 1 1 -7  50 12 o 63.84801 9.584641 49.03362       12.06015  53.67145       
13.26146  26.85810       28.99820  66.21448 10.17443 39.88726 17.75125 
26.32721       20.46035 
1 1 1 -7  50 13 o 35.52348 12.89425 17.93709       12.02409  13.88760       
12.98499  42.29999       31.84973  32.52219 12.99417 42.58322 18.79361 
-10.06103      22.84838 
1 1 1 -7  51 1  o 34.21467 14.72704 9.485444       18.53751  47.46838       
27.71176  -21.27663      24.93892  52.80623 19.51054 28.63582 13.87162 
24.17041       23.93915 
1 1 1 -7  51 2  o 27.46431 12.92733 -9.532631      18.58778  4.778735       
26.79304  -22.81181      25.80875  36.01663 16.44398 28.98034 14.05580 
7.036283       21.63261 
1 1 1 -7  51 3  o 89.73536 11.72888 97.01877       20.89073  87.03574       
30.70878  105.6188       28.50237  73.87569 19.96608 87.26263 16.66992 
-13.38693      26.01020 
1 1 1 -7  51 4  o 30.01544 13.55163 -0.1756994E-01 17.58342  -2.220711      
27.44029  1.517290       22.90350  34.50682 16.06676 33.51172 15.26275 
0.9951057      22.16061 
1 1 1 -7  51 5  o 37.23582 15.53965 14.64502       19.59714  21.61615       
28.71363  8.566241       26.81297  42.01046 18.20484 37.22552 16.77734 
4.784931       24.75672 
1 1 1 -7  51 6  o 51.66383 16.72702 39.40159       20.05893  27.00887       
30.12778  49.26923       26.88380  43.76788 18.80569 54.32930 19.33424 
-10.56142      26.97160 
1 1 1 -7  51 7  o 80.97239 5.814230 70.11446       9.509979  69.34529       
10.10392  76.08578       28.15235  80.22713 6.242380 68.46314 19.35826 
11.76398       20.33985 
1 1 1 -7  51 8  o 76.64816 6.857401 64.31657       10.57548  62.72870       
11.37844  74.39075       28.66027  75.13471 7.549293 65.75645 19.80418 
9.378265       21.19428 
1 1 1 -7  51 9  o 29.45923 11.79224 8.733223       10.71572  4.466546       
11.59397  33.73810       28.06722  27.22845 11.68167 44.04519 18.50387 
-16.81674      21.88275 
1 1 1 -7  51 10 o 63.16344 10.30999 48.87366       12.78573  48.87366       
12.78573  0.000000       0.000000  63.16344 10.30999 ?        ?        
0.000000       10.30999 
1 1 1 -7  51 11 o 34.80616 13.04347 16.75475       12.47216  16.75475       
12.47216  0.000000       0.000000  34.80616 13.04347 ?        ?        
0.000000       13.04347 
1 1 1 -7  51 12 o 30.29551 11.90522 11.60898       10.73247  5.943971       
11.68589  42.13783       27.12795  26.95611 11.64749 43.05629 18.14539 
-16.10018      21.56199 
1 1 1 -7  51 13 o 23.20039 10.64574 -0.5120279     11.41960  4.093382       
12.30264  -29.18268      30.69607  25.86616 11.53302 26.70748 13.37029 
-0.8413181     17.65716 
1 1 1 -7  52 1  o 40.79879 15.74654 24.93148       18.51036  -5.307363      
26.84240  52.34975       25.55988  31.78602 15.12965 53.57188 18.87483 
-21.78586      24.19020 
1 1 1 -7  52 2  o 56.76543 16.24476 48.93647       19.70225  74.74752       
30.17454  29.75435       26.01275  62.87598 20.52556 42.75025 17.87756 
20.12573       27.21958 
1 1 1 -7  52 3  o 37.46430 15.43921 18.02418       19.00350  19.20648       
28.57142  17.08619       25.44882  39.24358 17.53090 38.08323 16.80387 
1.160351       24.28379 
1 1 1 -7  52 4  o 24.50074 11.84685 -16.91101      17.98290  -15.88391      
27.83472  -17.64684      23.55983  30.41417 14.71409 27.92157 13.51518 
2.492603       19.97910 
1 1 1 -7  52 5  o 37.14223 15.54429 17.33787       19.68714  -3.366241      
29.29385  34.39162       26.58631  33.43653 15.88341 44.74948 18.33031 
-11.31295      24.25455 
1 1 1 -7  52 6  o 64.30643 15.60622 60.34799       20.20140  76.27327       
30.56662  47.99757       26.91811  62.83199 20.66565 50.60249 19.12021 
12.22950       28.15406 
1 1 1 -7  52 7  o 81.14628 5.662099 70.97372       9.284681  63.44434       
9.792443  137.9808       29.21269  76.12218 6.384969 98.73636 15.02311 
-22.61417      16.32365 
1 1 1 -7  52 8  o 41.91485 11.30265 22.92012       9.854088  23.85016       
10.58768  16.89789       26.94200  42.30871 11.83965 36.68657 16.64877 
5.622139       20.42936 
1 1 1 -7  52 9  o 64.44565 9.028424 49.64462       11.50722  49.64314       
12.53497  49.65256       29.01771  63.35463 10.06627 47.00585 19.19031 
16.34879       21.67020 
1 1 1 -7  52 10 o 38.22266 12.96632 21.56126       12.01916  21.56126       
12.01916  0.000000       0.000000  38.22266 12.96632 ?        ?        
0.000000       12.96632 
1 1 1 -7  52 11 o 48.04824 11.79081 32.24087       11.43441  30.83599       
12.48278  39.56641       28.50446  45.43852 12.90518 40.31753 17.78720 
5.120991       21.97563 
1 1 1 -7  52 12 o 27.95754 11.56851 9.499147       10.72938  0.8598553E-01  
11.65785  61.63284       27.43531  23.37544 10.73719 47.89577 18.96659 
-24.52033      21.79493 
1 1 1 -7  53 1  o 23.21124 11.34286 -17.64513      17.70810  -1.903092      
26.31041  -30.68143      23.94277  30.71963 14.71873 24.60776 12.23792 
6.111872       19.14178 
1 1 1 -7  53 2  o 33.47937 14.47253 13.73951       18.05813  10.33899       
27.12303  16.44703       24.20196  34.09608 15.90827 35.40702 15.95035 
-1.310947      22.52746 
1 1 1 -7  53 3  o 37.58075 15.62850 21.93736       19.72286  14.69029       
29.20204  28.01591       26.74439  35.71959 16.61243 39.58652 17.35425 
-3.866928      24.02380 
1 1 1 -7  53 4  o 44.66217 16.39480 34.58419       19.51753  98.31783       
30.70484  -8.626934      25.28252  70.93100 20.27301 29.37969 14.16669 
41.55131       24.73237 
1 1 1 -7  53 5  o 50.11699 16.49490 43.09027       19.47249  65.42416       
29.38783  25.61017       25.99904  54.08670 20.07035 38.65105 17.02305 
15.43565       26.31736 
1 1 1 -7  53 6  o 34.98841 15.02858 17.20197       19.22978  6.569416       
27.67489  27.12776       26.73928  33.07607 15.63108 38.74648 17.15404 
-5.670414      23.20758 
1 1 1 -7  53 7  o 51.59144 8.358774 31.59839       8.469412  33.78444       
8.952934  12.98426       26.12503  53.18694 8.568795 33.95186 15.76450 
19.23508       17.94279 
1 1 1 -7  53 8  o 24.39093 10.54581 3.871050       9.592097  5.560724       
10.27336  -7.616222      26.78672  25.85949 11.04260 29.05029 14.14221 
-3.190804      17.94272 
1 1 1 -7  53 9  o 49.23275 13.95647 38.30200       14.61361  38.30200       
14.61361  0.000000       0.000000  49.23275 13.95647 ?        ?        
0.000000       13.95647 
1 1 1 -7  53 10 o 23.35434 10.69419 0.4204596      11.44199  0.4204596      
11.44199  0.000000       0.000000  23.35434 10.69419 ?        ?        
0.000000       10.69419 
1 1 1 -7  54 1  o 47.76857 19.45936 65.40208       29.75558  65.40208       
29.75558  0.000000       0.000000  47.76857 19.45936 ?        ?        
0.000000       19.45936 
1 1 1 -7  54 2  o 27.12778 12.77287 0.2928579      18.17193  20.57989       
28.18963  -14.13144      23.76991  34.39941 16.10470 26.21680 12.87937 
8.182610       20.62133 
1 1 1 -7  54 3  o 43.08718 15.81279 35.03916       18.15481  42.49604       
27.76029  29.46646       23.99819  41.26762 17.89150 37.70382 16.48624 
3.563797       24.32903 
1 1 1 -7  54 4  o 25.96092 12.43706 -5.456234      18.77187  -5.632143      
30.26134  -5.346204      23.93319  29.79218 14.61476 28.06030 13.59190 
1.731880       19.95823 
1 1 1 -7  54 5  o 41.83635 16.18472 34.84713       19.59047  16.66761       
29.95476  48.43436       25.89644  33.67204 16.01459 44.47674 18.14002 
-10.80470      24.19768 
1 1 1 -7  54 6  o 32.36635 14.45356 15.38500       19.40258  -9.882381      
31.74700  30.44991       24.51354  29.16601 14.43268 37.44683 16.50921 
-8.280828      21.92843 
1 1 1 -7  54 7  o 30.10230 10.53118 12.28577       7.948687  10.27422       
8.325185  33.02868       26.73392  28.11917 10.63126 37.20901 16.76286 
-9.089836      19.84986 
1 1 1 -7  54 8  o 42.89462 11.96910 27.39780       10.83676  27.39780       
10.83676  0.000000       0.000000  42.89462 11.96910 ?        ?        
0.000000       11.96910 
1 1 1 -7  54 9  f 39.47492 14.01572 28.26881       14.11979  28.26881       
14.11979  0.000000       0.000000  39.47492 14.01572 ?        ?        
0.000000       14.01572 
1 1 1 -7  55 1  o 31.40798 15.06541 20.11576       27.73673  20.11576       
27.73673  0.000000       0.000000  31.40798 15.06541 ?        ?        
0.000000       15.06541 
1 1 1 -7  55 2  o 28.43338 13.96857 1.798053       27.96473  1.798053       
27.96473  0.000000       0.000000  28.43338 13.96857 ?        ?        
0.000000       13.96857 
1 1 1 -7  55 3  o 23.31931 11.44602 -12.01644      18.64592  6.317410       
28.83992  -25.18421      24.44126  29.45276 14.41036 23.71445 11.88049 
5.738314       18.67632 
1 1 1 -7  55 4  o 26.04528 12.39503 0.8471689      17.99982  -31.36489      
29.62792  19.69174       22.66131  24.78962 12.50555 32.09830 14.82544 
-7.308674      19.39542 
1 1 1 -7  55 5  o 25.75800 12.36601 -1.062397      18.77749  16.04413       
28.68914  -13.88283      24.83636  31.08846 15.01562 25.36644 12.58967 
5.722025       19.59511 
1 1 1 -7  55 6  o 44.27852 16.54953 45.92232       20.05246  46.48184       
32.04422  45.56219       25.70815  36.64015 17.15907 39.21445 17.10732 
-2.574303      24.23002 
1 1 1 -7  55 7  o 23.89708 9.846774 6.394472       7.728576  6.394472       
7.728576  0.000000       0.000000  23.89708 9.846774 ?        ?        
0.000000       9.846774 
1 1 1 -7  55 8  o 29.20151 11.57640 13.22983       10.23104  13.22983       
10.23104  0.000000       0.000000  29.20151 11.57640 ?        ?        
0.000000       11.57640 
1 1 1 -7  56 2  o 36.73346 16.91710 55.51945       29.19754  55.51945       
29.19754  0.000000       0.000000  36.73346 16.91710 ?        ?        
0.000000       16.91710 
1 1 1 -7  56 3  o 28.72100 14.15990 14.68162       29.58472  14.68162       
29.58472  0.000000       0.000000  28.72100 14.15990 ?        ?        
0.000000       14.15990 
1 1 1 -7  56 4  o 31.10144 15.09827 29.22290       29.96096  29.22290       
29.96096  0.000000       0.000000  31.10144 15.09827 ?        ?        
0.000000       15.09827 
1 1 1 -7  56 5  o 25.42112 12.75958 -9.867875      28.84864  -9.867875      
28.84864  0.000000       0.000000  25.42112 12.75958 ?        ?        
0.000000       12.75958 
1 1 1 -6  0  1  o 77.11140 8.869785 62.90197       13.43095  62.90197       
13.43095  62.90197       13.43095  77.11140 8.869785 77.11140 8.869785 
-0.000000      0.000000 
1 1 1 -6  0  2  o 475.2771 6.505243 2299.714       62.84611  2299.714       
62.84611  2299.714       62.84611  475.2771 6.505243 475.2771 6.505243 
-0.000000      0.000000 
1 1 1 -6  0  3  o 156.9077 4.661998 251.0820       14.84566  251.0820       
14.84566  251.0820       14.84566  156.9077 4.661998 156.9077 4.661998 
0.000000       0.000000 
1 1 1 -6  0  4  o 512.2655 9.718413 2675.398       101.1554  2675.398       
101.1554  2675.398       101.1554  512.2655 9.718413 512.2655 9.718413 
0.000000       0.000000 
1 1 1 -6  0  5  o 117.8079 7.437730 142.9353       17.65549  142.9353       
17.65549  142.9353       17.65549  117.8079 7.437730 117.8079 7.437730 
0.000000       0.000000 
1 1 1 -6  0  6  o 315.6352 5.313339 1014.363       34.08213  1014.363       
34.08213  1014.363       34.08213  315.6352 5.313339 315.6352 5.313339 
0.000000       0.000000 
1 1 1 -6  0  7  o 332.3352 5.530019 1124.540       37.34936  1124.540       
37.34936  1124.540       37.34936  332.3352 5.530019 332.3352 5.530019 
0.000000       0.000000 
1 1 1 -6  0  8  o 161.1227 5.401275 264.9691       17.65212  264.9691       
17.65212  264.9691       17.65212  161.1227 5.401275 161.1227 5.401275 
0.000000       0.000000 
1 1 1 -6  0  9  f 176.9186 5.423878 319.2720       19.47197  319.2720       
19.47197  319.2720       19.47197  176.9186 5.423878 176.9186 5.423878 
0.000000       0.000000 
1 1 1 -6  0  10 o 454.0692 6.636898 2098.744       61.25329  2098.744       
61.25329  2098.744       61.25329  454.0692 6.636898 454.0692 6.636898 
0.000000       0.000000 
1 1 1 -6  0  11 o 398.5583 6.310605 1616.975       51.11741  1616.975       
51.11741  1616.975       51.11741  398.5583 6.310605 398.5583 6.310605 
0.000000       0.000000 
1 1 1 -6  0  12 o 608.8219 8.129818 3773.348       100.6116  3773.348       
100.6116  3773.348       100.6116  608.8219 8.129818 608.8219 8.129818 
0.000000       0.000000 
1 1 1 -6  0  13 o 25.99419 16.36370 3.131313       18.22024  3.131313       
18.22024  3.131313       18.22024  25.99419 16.36370 25.99419 16.36370 
0.000000       0.000000 
1 1 1 -6  0  14 o 85.13569 12.93589 78.80109       20.86303  78.80109       
20.86303  78.80109       20.86303  85.13569 12.93589 85.13569 12.93589 
0.000000       0.000000 
1 1 1 -6  0  15 o 554.1470 11.06956 3134.821       124.6280  3134.821       
124.6280  3134.821       124.6280  554.1470 11.06956 554.1470 11.06956 
-0.000000      0.000000 
1 1 1 -6  0  16 o 350.2441 6.642859 1250.454       47.27426  1250.454       
47.27426  1250.454       47.27426  350.2441 6.642859 350.2441 6.642859 
0.000000       0.000000 
1 1 1 -6  0  17 o 265.5462 6.689971 719.8155       36.07385  719.8155       
36.07385  719.8155       36.07385  265.5462 6.689971 265.5462 6.689971 
-0.000000      0.000000 
1 1 1 -6  0  18 o 88.38612 12.66800 84.87118       21.41247  84.87118       
21.41247  84.87118       21.41247  88.38612 12.66800 88.38612 12.66800 
0.000000       0.000000 
1 1 1 -6  0  19 o 128.1250 9.172237 170.5095       23.61655  170.5095       
23.61655  170.5095       23.61655  128.1250 9.172237 128.1250 9.172237 
-0.000000      0.000000 
1 1 1 -6  0  20 o 190.4255 7.783998 372.6478       30.02803  372.6478       
30.02803  372.6478       30.02803  190.4255 7.783998 190.4255 7.783998 
0.000000       0.000000 
1 1 1 -6  0  21 f 151.7616 13.03958 243.8452       39.55828  243.8452       
39.55828  243.8452       39.55828  151.7616 13.03958 151.7616 13.03958 
-0.000000      0.000000 
1 1 1 -6  0  22 o 113.6729 11.95698 138.1811       26.93966  138.1811       
26.93966  138.1811       26.93966  113.6729 11.95698 113.6729 11.95698 
0.000000       0.000000 
1 1 1 -6  0  23 o 26.90748 17.62366 -1.177640      23.97879  -1.177640      
23.97879  -1.177640      23.97879  26.90748 17.62366 26.90748 17.62366 
0.000000       0.000000 
1 1 1 -6  0  24 o 28.78189 18.71637 2.098204       26.34579  2.098204       
26.34579  2.098204       26.34579  28.78189 18.71637 28.78189 18.71637 
0.000000       0.000000 
1 1 1 -6  0  25 o 61.25866 24.31903 61.25718       29.22857  61.25718       
29.22857  61.25718       29.22857  61.25866 24.31903 61.25866 24.31903 
0.000000       0.000000 
1 1 1 -6  0  26 o 30.99016 21.06725 2.130941       40.30782  2.130941       
40.30782  2.130941       40.30782  30.99016 21.06725 30.99016 21.06725 
0.000000       0.000000 
1 1 1 -6  1  1  o 190.1979 3.753123 368.0060       14.51610  358.9639       
17.72601  386.4158       25.29313  187.8213 4.641034 194.8029 6.384923 
-6.981583      7.893443 
1 1 1 -6  1  2  o 784.4321 7.840202 6269.796       125.0645  6246.931       
152.6798  6316.424       218.0310  782.5881 9.593935 785.6559 13.64692 
-3.067749      16.68178 
1 1 1 -6  1  3  o 302.4764 4.145633 930.8008       25.49963  914.6224       
30.95287  964.9727       44.98481  299.7927 5.077249 307.7996 7.186980 
-8.006866      8.799497 
1 1 1 -6  1  4  o 109.0410 4.196052 120.9664       9.304265  128.7861       
11.45780  105.8264       15.94307  112.4957 5.008575 101.6186 7.774182 
10.87709       9.247904 
1 1 1 -6  1  5  o 477.0542 9.314029 2321.223       90.35594  2321.223       
90.35594  0.000000       0.000000  477.0542 9.314029 ?        ?        
0.000000       9.314029 
1 1 1 -6  1  6  o 98.58857 4.244983 98.89222       8.510479  85.79042       
11.89704  112.6228       12.17919  91.56227 6.430335 105.0263 5.724144 
-13.46404      8.609008 
1 1 1 -6  1  7  o 87.05637 5.533486 77.45080       9.745180  63.68189       
16.35019  85.03732       12.13652  78.29523 10.53671 91.14736 6.592324 
-12.85213      12.42904 
1 1 1 -6  1  8  o 298.0225 4.399790 903.5823       26.66443  898.5322       
32.66099  913.6753       46.17324  297.1453 5.405167 299.5139 7.580922 
-2.368622      9.310542 
1 1 1 -6  1  9  o 304.7960 3.910315 944.9320       24.23664  942.8257       
34.24712  947.0453       34.30453  304.3997 5.532589 305.0803 5.529501 
-0.6805115     7.822079 
1 1 1 -6  1  10 o 724.9424 6.476686 5347.959       95.47897  5321.008       
134.4497  5375.378       135.6132  722.8158 9.147041 726.4951 9.179475 
-3.679260      12.95882 
1 1 1 -6  1  11 f 479.2762 4.885156 2336.508       47.61192  2332.244       
67.24625  2340.795       67.42094  478.7428 6.907397 479.6194 6.912683 
-0.8765869     9.772273 
1 1 1 -6  1  12 o 323.4464 4.241156 1064.035       27.89575  1070.268       
39.48168  1057.821       39.41949  324.3444 5.986016 322.4521 6.011661 
1.892303       8.483658 
1 1 1 -6  1  13 o 588.4916 6.567821 3524.214       78.59827  3435.566       
94.29809  3725.966       142.2577  580.9282 7.982317 604.5751 11.57108 
-23.64685      14.05729 
1 1 1 -6  1  14 o 371.5419 4.633819 1404.314       35.01050  1393.939       
49.22685  1414.932       49.80281  370.0709 6.541324 372.8456 6.568610 
-2.774658      9.270144 
1 1 1 -6  1  15 o 73.64108 14.31098 57.38488       20.65882  65.99107       
28.68938  48.11647       29.77271  78.58524 18.29484 67.86375 20.12772 
10.72149       27.19975 
1 1 1 -6  1  16 o 219.4626 4.786454 490.2145       21.36121  496.3287       
30.19865  484.0916       30.21998  220.7171 6.728221 217.9733 6.817725 
2.743805       9.578639 
1 1 1 -6  1  17 o 413.5227 4.928693 1741.147       41.44600  1703.191       
57.71309  1781.568       59.55738  408.7058 6.944039 417.9932 7.006723 
-9.287445      9.864779 
1 1 1 -6  1  18 o 71.98592 10.58426 54.22017       15.03127  47.16759       
20.85345  61.84698       21.68582  66.22414 15.72023 76.19590 14.52588 
-9.971756      21.40390 
1 1 1 -6  1  19 o 268.9291 4.749746 736.7543       25.97525  750.5464       
36.84670  723.1289       36.62342  271.1827 6.681672 266.1707 6.766235 
5.011963       9.509295 
1 1 1 -6  1  20 o 263.0527 4.945070 705.2540       26.45249  711.6843       
37.40237  698.8188       37.41658  263.9386 6.968589 261.5301 7.035437 
2.408478       9.902454 
1 1 1 -6  1  21 o 196.5545 7.640095 395.3936       30.53748  417.9502       
42.71062  371.8030       43.67870  201.2452 10.47277 189.5217 11.38619 
11.72350       15.47011 
1 1 1 -6  1  22 o 94.66616 9.631860 93.07931       18.28371  99.27428       
26.12685  87.13376       25.59548  96.82163 13.64843 90.38906 14.40882 
6.432571       19.84676 
1 1 1 -6  1  23 o 105.9023 8.870605 116.1179       18.92740  91.78536       
27.16419  139.0788       26.38747  92.45673 14.95889 115.3397 11.39959 
-22.88297      18.80742 
1 1 1 -6  1  24 o 100.8370 9.871733 106.2819       19.98291  97.79412       
28.58067  114.3993       27.95009  94.89423 15.33380 103.4386 13.61878 
-8.544365      20.50845 
1 1 1 -6  1  25 o 102.4093 11.79909 112.0537       24.12256  41.17433       
41.26637  148.8459       29.73130  63.10279 23.71042 117.8238 12.60430 
-54.72104      26.85242 
1 1 1 -6  1  26 o 80.68007 16.96203 75.61904       26.94574  97.91751       
40.00610  57.10346       36.45503  88.44640 22.25999 68.01600 22.57813 
20.43040       31.70613 
1 1 1 -6  2  1  o 391.5390 4.081279 1559.684       32.49547  1470.573       
43.99371  1666.676       48.20563  380.0798 5.691994 404.6148 5.858744 
-24.53506      8.168456 
1 1 1 -6  2  2  o 122.8230 3.875401 153.4647       9.679387  138.5113       
11.72093  185.5316       17.16408  116.6667 4.940419 134.9902 6.252692 
-18.32345      7.968933 
1 1 1 -6  2  3  o 377.9024 4.603062 1453.102       35.37349  1444.358       
43.21382  1470.858       61.58248  376.6951 5.641327 379.9288 7.970830 
-3.233643      9.765178 
1 1 1 -6  2  4  o 130.4100 3.947960 173.0133       10.46972  167.9824       
12.80801  183.1450       18.17594  128.4810 4.902205 134.1065 6.664930 
-5.625549      8.273627 
1 1 1 -6  2  5  o 100.8162 4.612247 103.4233       9.455712  88.96336       
16.74713  110.1903       11.45656  92.97561 8.968960 103.9044 5.441041 
-10.92877      10.49034 
1 1 1 -6  2  6  o 284.2707 3.652858 822.0510       21.11622  858.5911       
30.79018  789.6038       29.01455  290.4460 5.213093 278.5379 5.122479 
11.90808       7.308634 
1 1 1 -6  2  7  o 178.6208 4.111003 324.5897       14.93246  315.2288       
25.75982  329.3272       18.32554  175.9220 7.200642 179.8946 5.009417 
-3.972595      8.771744 
1 1 1 -6  2  8  o 189.4325 4.252508 365.0571       16.38140  368.8110       
20.11223  357.6584       28.23579  190.3791 5.195047 187.4018 7.409258 
2.977280       9.049067 
1 1 1 -6  2  9  o 321.6158 3.980324 1052.110       26.03198  1070.794       
37.27524  1034.321       36.37098  324.3964 5.650579 318.8256 5.609838 
5.570801       7.962369 
1 1 1 -6  2  10 o 262.1564 3.912532 698.9931       20.85786  688.3014       
29.28724  709.9974       29.71229  260.1044 5.537061 264.1722 5.530922 
-4.067780      7.826247 
1 1 1 -6  2  11 o 122.6556 4.969069 153.0299       12.39406  116.5144       
16.99796  194.4823       18.11061  106.7012 7.889812 138.2541 6.441750 
-31.55289      10.18554 
1 1 1 -6  2  12 o 437.3370 4.724651 1945.429       42.01820  1985.703       
60.20519  1907.184       58.66995  441.7574 6.701911 432.9371 6.664070 
8.820343       9.451214 
1 1 1 -6  2  13 o 249.0360 5.074043 630.9026       25.69613  629.9044       
31.41986  632.9189       44.65332  248.8081 6.209953 249.3086 8.807753 
-0.5005341     10.77683 
1 1 1 -6  2  14 o 94.50355 7.758368 91.55128       14.77817  71.63008       
20.62647  112.5632       21.18363  82.83352 12.64612 104.6059 10.08335 
-21.77238      16.17401 
1 1 1 -6  2  15 o 391.9575 6.719035 1564.387       53.55466  1673.409       
78.59568  1469.896       73.17046  405.0799 9.541278 379.6571 9.477478 
25.42279       13.44837 
1 1 1 -6  2  16 o 70.91656 10.38399 52.45618       14.53122  51.59256       
21.44485  53.18935       19.75901  69.51034 15.55923 70.76900 14.22341 
-1.258667      21.08068 
1 1 1 -6  2  17 o 433.3546 5.004810 1912.258       44.10445  1882.249       
61.72028  1943.570       63.04712  429.6280 7.064540 436.5634 7.101768 
-6.935455      10.01713 
1 1 1 -6  2  18 o 184.5667 5.111338 347.0162       19.18400  381.8439       
27.92121  315.8730       26.40296  193.4375 7.098102 175.9097 7.380937 
17.52780       10.24018 
1 1 1 -6  2  19 o 177.2010 5.363492 320.0447       19.32703  332.0137       
27.28972  308.0004       27.37559  180.2812 7.443843 173.6048 7.754437 
6.676407       10.74905 
1 1 1 -6  2  20 o 181.5875 5.599731 336.3028       20.67781  326.6938       
28.82370  346.4917       29.68081  178.6982 7.931914 184.0334 7.930995 
-5.335129      11.21677 
1 1 1 -6  2  21 o 259.2279 7.160225 687.2131       37.74504  658.7547       
52.41901  717.8574       54.39492  253.0593 10.18627 264.1859 10.12505 
-11.12662      14.36234 
1 1 1 -6  2  22 o 74.67403 12.19507 59.14977       17.87916  43.27963       
25.14451  75.37949       25.42777  63.21673 18.42813 83.63228 15.52294 
-20.41555      24.09476 
1 1 1 -6  2  23 o 121.9912 7.986714 153.3596       19.70353  135.1879       
27.50932  172.5024       28.23486  113.4962 12.10602 128.7051 10.89011 
-15.20890      16.28343 
1 1 1 -6  2  24 o 158.5301 6.881813 257.8921       22.18534  254.4346       
31.80056  261.1704       30.96572  156.3510 10.05523 158.5588 9.649622 
-2.207794      13.93639 
1 1 1 -6  2  25 o 48.78398 17.32936 23.93272       21.58804  29.72247       
38.31751  21.24033       26.12979  57.57563 22.53386 49.11860 18.77117 
8.457039       29.32800 
1 1 1 -6  2  26 o 57.24415 19.45529 37.65377       27.05975  79.91290       
39.30739  -0.4144416     37.30742  79.27553 23.02106 45.59111 20.21948 
33.68442       30.63979 
1 1 1 -6  3  1  o 223.8107 3.290132 509.5161       14.97427  469.5225       
20.45747  555.6750       21.97781  214.8031 4.683386 233.6830 4.624937 
-18.87996      6.582108 
1 1 1 -6  3  2  o 498.9770 5.477283 2534.228       55.57726  2564.092       
68.75411  2477.925       94.40601  501.7710 6.738165 492.8889 9.418877 
8.882080       11.58094 
1 1 1 -6  3  3  o 200.6053 3.742558 409.3725       15.26730  401.6521       
18.67401  424.9358       26.51357  198.6792 4.622041 204.2877 6.382263 
-5.608536      7.880136 
1 1 1 -6  3  4  o 314.1828 3.668188 1004.139       23.43610  952.9026       
32.13353  1062.365       34.25545  305.9905 5.164153 323.0849 5.213886 
-17.09445      7.338466 
1 1 1 -6  3  5  o 539.0587 5.048319 2957.338       55.33939  2927.709       
77.59966  2988.000       78.94101  536.1033 7.118032 541.5881 7.167738 
-5.484802      10.10163 
1 1 1 -6  3  6  o 369.2125 4.660271 1387.146       34.98960  1424.703       
61.92152  1369.529       42.40921  373.8701 8.144593 366.7888 5.685815 
7.081360       9.932920 
1 1 1 -6  3  7  o 269.5481 4.213843 739.1856       23.09756  716.4230       
39.19400  751.2971       28.58947  265.2090 7.267414 271.7062 5.174343 
-6.497162      8.921273 
1 1 1 -6  3  8  o 219.2954 4.227778 489.2210       18.85355  514.6505       
23.57992  444.1509       31.39187  224.8943 5.155995 208.8389 7.391870 
16.05540       9.012438 
1 1 1 -6  3  9  o 99.59377 5.160143 101.1868       10.41486  114.0112       
14.91960  88.99800       14.54520  105.6000 6.987204 93.17056 7.747216 
12.42943       10.43266 
1 1 1 -6  3  10 o 640.8817 5.887129 4178.980       76.72429  4241.936       
109.9246  4119.175       107.1381  645.4683 8.374683 636.0694 8.283010 
9.398926       11.77895 
1 1 1 -6  3  11 o 485.7443 4.926013 2400.013       48.65805  2337.610       
67.50944  2467.480       70.19485  479.2923 6.926480 492.4216 7.009979 
-13.12930      9.854742 
1 1 1 -6  3  12 o 528.8152 5.248364 2844.658       56.43900  2911.043       
81.19589  2782.599       78.50567  534.8235 7.465728 522.8967 7.383013 
11.92676       10.49981 
1 1 1 -6  3  13 o 539.4180 6.228112 2960.756       68.31770  2896.234       
82.36938  3102.978       122.2917  533.4094 7.593705 551.7892 10.89864 
-18.37988      13.28325 
1 1 1 -6  3  14 o 184.2451 4.999358 345.3690       18.73103  334.3471       
26.48904  356.3921       26.49032  181.2213 7.187957 187.1077 6.962161 
-5.886414      10.00692 
1 1 1 -6  3  15 o 460.4713 5.872853 2158.376       54.99247  2109.646       
66.70697  2261.745       97.15568  455.1110 7.207796 470.8308 10.14733 
-15.71982      12.44671 
1 1 1 -6  3  16 o 243.9845 4.702519 605.8754       23.33159  660.1917       
33.86851  556.8177       32.18735  254.5665 6.542494 233.7721 6.770816 
20.79439       9.415317 
1 1 1 -6  3  17 o 134.9112 8.928088 186.7396       24.35542  186.7396       
24.35542  0.000000       0.000000  134.9112 8.928088 ?        ?        
0.000000       8.928088 
1 1 1 -6  3  18 f 278.6437 4.686438 790.7092       26.55483  803.1479       
37.56224  778.2811       37.54618  280.6082 6.582634 276.2163 6.684438 
4.391815       9.381513 
1 1 1 -6  3  19 o 122.7504 6.694298 154.2411       16.64701  156.1835       
23.18403  152.1739       23.91798  123.1373 9.327904 121.4615 9.766098 
1.675827       13.50505 
1 1 1 -6  3  20 o 102.6957 7.963500 108.5419       16.50054  133.5219       
24.11511  86.55064       22.62653  113.4936 10.57037 90.72617 12.60457 
22.76742       16.45016 
1 1 1 -6  3  21 o 41.70259 15.94861 12.85593       18.87099  21.20495       
24.01261  -0.6285458     30.51678  49.48448 18.18198 43.88726 18.89296 
5.597225       26.22076 
1 1 1 -6  3  22 o 76.43840 11.62254 61.70418       17.49693  61.25681       
25.45229  62.10503       24.09247  74.86102 17.09482 75.58676 16.16355 
-0.7257385     23.52644 
1 1 1 -6  3  23 o 95.16748 9.558848 94.22399       18.24884  77.54865       
25.15973  112.7352       26.50857  84.75048 15.15493 103.2972 12.90090 
-18.54676      19.90239 
1 1 1 -6  3  24 o 68.44430 14.11024 51.14398       18.98647  49.20462       
26.42682  53.21302       27.29611  66.29808 18.75896 68.80035 18.92026 
-2.502266      26.64347 
1 1 1 -6  3  25 o 52.51902 17.69818 29.56269       22.39077  -7.110501      
39.38377  47.07758       27.21740  45.91388 20.54136 64.00116 19.30457 
-18.08728      28.18890 
1 1 1 -6  3  26 o 37.86262 16.87454 -4.269386      26.30666  -40.87696      
36.22172  36.59358       38.26913  35.76988 17.17319 58.71622 22.64709 
-22.94635      28.42198 
1 1 1 -6  4  1  o 58.26623 5.042991 34.81034       5.916341  27.84372       
8.429912  41.57271       8.305416  51.61671 8.313554 63.56032 6.517956 
-11.94361      10.56404 
1 1 1 -6  4  2  o 403.1814 4.135705 1653.837       33.90795  1600.171       
46.81842  1713.040       49.17447  396.4662 5.807097 410.2027 5.895080 
-13.73651      8.274923 
1 1 1 -6  4  3  o 316.1104 3.654912 1016.498       23.49455  1058.269       
33.97161  978.2026       32.52800  322.4621 5.180672 310.0251 5.159518 
12.43701       7.311634 
1 1 1 -6  4  4  o 386.5667 4.057128 1520.302       31.89294  1454.439       
43.77674  1594.802       46.55855  377.9909 5.695223 395.8028 5.784545 
-17.81189      8.117668 
1 1 1 -6  4  5  o 339.2957 3.831265 1171.158       26.43456  1091.528       
35.75854  1267.116       39.25364  327.4716 5.369759 352.8219 5.471079 
-25.35034      7.665965 
1 1 1 -6  4  6  o 163.0635 4.146900 270.5266       13.75092  256.1230       
24.93408  276.8220       16.48434  158.5389 7.734035 164.9288 4.915000 
-6.389938      9.163652 
1 1 1 -6  4  7  o 205.3317 4.062551 428.9150       16.96314  467.3406       
29.79496  410.4866       20.63366  214.2244 6.839471 200.8421 5.052079 
13.38228       8.503051 
1 1 1 -6  4  8  o 561.6478 6.105791 3210.783       69.73606  3174.300       
84.61046  3288.065       123.1440  558.3026 7.452517 567.7488 10.66610 
-9.446228      13.01175 
1 1 1 -6  4  9  o 267.7668 3.818781 729.2622       20.79375  720.1548       
29.14643  738.7025       29.67428  266.0443 5.387409 269.4476 5.415699 
-3.403259      7.638977 
1 1 1 -6  4  10 o 263.2551 5.549935 705.0692       29.71092  705.0692       
29.71092  0.000000       0.000000  263.2551 5.549935 ?        ?        
0.000000       5.549935 
1 1 1 -6  4  11 o 469.9646 4.836045 2246.581       46.21756  2308.393       
66.63071  2189.264       64.16216  476.2905 6.879408 463.8418 6.802329 
12.44864       9.674603 
1 1 1 -6  4  12 o 970.0258 8.330587 9578.531       164.3275  9770.065       
236.7055  9400.343       228.3103  979.0795 11.88882 960.4136 11.69003 
18.66595       16.67336 
1 1 1 -6  4  13 o 105.0236 7.823930 112.9066       16.58964  119.9340       
20.42876  99.29784       28.42855  108.1072 9.385716 97.52073 14.80015 
10.58645       17.52530 
1 1 1 -6  4  14 o 155.4926 5.456100 246.0193       17.25216  256.6544       
24.65749  235.8201       24.14700  158.7604 7.637569 151.9727 7.840226 
6.787766       10.94539 
1 1 1 -6  4  15 f 113.8268 7.931087 132.6579       18.24343  139.2744       
22.77148  120.8005       30.48395  116.4506 9.704447 107.7059 14.26942 
8.744644       17.25667 
1 1 1 -6  4  16 o 215.9118 4.842344 474.5107       21.26098  485.5983       
30.19273  463.6050       29.94396  218.3045 6.801243 213.2966 6.903572 
5.007813       9.691037 
1 1 1 -6  4  17 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -6  4  18 o 371.4143 4.827366 1405.034       36.46031  1411.251       
51.83232  1398.944       51.29717  371.9103 6.853477 370.2928 6.812346 
1.617523       9.663240 
1 1 1 -6  4  19 o 217.1788 5.021619 480.6171       22.17750  505.6355       
31.46010  455.9029       31.26823  222.5387 6.951894 211.2693 7.278058 
11.26939       10.06474 
1 1 1 -6  4  20 o 211.1685 5.189403 454.6199       22.28425  415.2145       
30.69827  498.5150       32.39991  201.5161 7.491224 220.8516 7.214262 
-19.33553      10.40019 
1 1 1 -6  4  21 o 158.4711 7.343851 256.9191       23.66603  246.1515       
29.49661  276.3750       39.64955  154.5284 9.431847 163.0978 12.03981 
-8.569427      15.29434 
1 1 1 -6  4  22 o 91.20383 10.15568 86.68436       18.51548  81.45631       
26.20523  91.89616       26.16450  87.04577 15.36613 92.88692 14.31141 
-5.841148      20.99844 
1 1 1 -6  4  23 o 93.24959 10.24763 90.82265       19.11170  81.40404       
27.16611  100.0522       26.89202  86.59810 16.01644 96.86359 14.06352 
-10.26549      21.31453 
1 1 1 -6  4  24 o 172.1695 6.654171 304.0582       23.29709  236.1498       
32.82479  372.9879       33.07070  150.2937 10.81238 190.1463 8.552715 
-39.85260      13.78610 
1 1 1 -6  4  25 o 177.8851 7.721098 327.2736       27.92994  285.2385       
50.15269  346.1709       33.62700  161.4243 15.46764 182.3646 9.067679 
-20.94026      17.92960 
1 1 1 -6  4  26 o 39.86274 17.20127 3.119899       25.41829  7.900447       
37.06746  -1.123308      34.92216  47.86663 20.71339 44.05923 19.55019 
3.807404       28.48253 
1 1 1 -6  5  1  o 431.4282 6.095767 1895.201       53.47962  0.000000       
0.000000  1895.201       53.47962  ?        ?        431.4282 6.095767 
0.000000       6.095767 
1 1 1 -6  5  2  o 459.3340 4.486958 2146.868       41.91139  2257.875       
61.48716  2050.534       57.27959  470.8742 6.421376 448.7487 6.276900 
22.12543       8.979618 
1 1 1 -6  5  3  o 207.9683 3.257106 439.9318       13.77465  434.2196       
19.43430  445.6984       19.52662  206.5726 4.626415 209.2866 4.588114 
-2.713943      6.515712 
1 1 1 -6  5  4  o 559.0211 5.168397 3180.605       58.75374  3076.313       
80.87476  3297.163       85.49858  549.5172 7.237361 568.8768 7.390763 
-19.35956      10.34421 
1 1 1 -6  5  5  o 329.0524 3.779555 1101.500       25.29048  1132.521       
36.30877  1072.267       35.24714  333.5637 5.352805 324.5698 5.340283 
8.993866       7.561160 
1 1 1 -6  5  6  o 115.1069 5.550286 134.8696       12.99177  0.000000       
0.000000  134.8696       12.99177  ?        ?        115.1069 5.550286 
0.000000       5.550286 
1 1 1 -6  5  7  o 249.2375 3.599030 631.8749       18.24107  660.2322       
26.26790  605.4645       25.35011  254.7160 5.071282 243.9211 5.110683 
10.79489       7.199790 
1 1 1 -6  5  8  o 45.60939 10.47449 22.06547       9.510101  45.49372       
11.83423  -20.64819      15.97915  66.20818 9.024882 24.53520 11.67699 
41.67298       14.75807 
1 1 1 -6  5  9  o 153.5405 4.043792 239.7905       12.62592  225.7375       
17.70681  254.3263       18.00852  148.9427 5.846146 158.0983 5.601438 
-9.155548      8.096514 
1 1 1 -6  5  10 o 629.2938 5.809128 4029.088       74.33884  3937.323       
102.9642  4129.004       107.4406  621.8942 8.141765 636.8367 8.296383 
-14.94257      11.62404 
1 1 1 -6  5  11 o 616.9913 5.762430 3872.765       72.29964  3900.590       
102.8474  3845.580       101.6572  619.0300 8.170153 614.6525 8.133121 
4.377502       11.52819 
1 1 1 -6  5  12 o 324.5430 4.290976 1071.281       28.31912  1122.856       
41.18026  1025.006       39.00665  332.2099 6.095720 317.4068 6.043256 
14.80316       8.583632 
1 1 1 -6  5  13 o 170.9025 5.843782 297.1814       20.30925  315.8024       
25.19942  262.6690       34.30643  176.1479 7.034961 160.1971 10.59075 
15.95078       12.71435 
1 1 1 -6  5  14 o 136.4473 8.412509 190.3665       23.22839  0.000000       
0.000000  190.3665       23.22839  ?        ?        136.4473 8.412509 
0.000000       8.412509 
1 1 1 -6  5  15 o 426.0757 5.652494 1847.912       48.97545  1921.546       
61.67517  1722.225       80.57767  434.3541 6.982566 410.8918 9.643525 
23.46228       11.90604 
1 1 1 -6  5  16 o 66.51184 11.14291 46.45394       14.53814  45.79123       
20.47795  47.12739       20.64312  65.43903 15.60752 66.39021 15.56148 
-0.9511719     22.03983 
1 1 1 -6  5  17 o 204.1800 5.049642 424.5480       20.96647  416.8756       
29.86095  432.0084       29.44554  202.1579 7.263758 205.8150 7.035438 
-3.657059      10.11235 
1 1 1 -6  5  18 o 291.3855 4.661798 864.6998       27.62313  873.9745       
39.42734  855.7584       38.71247  292.7011 6.624021 289.6420 6.572610 
3.059082       9.331498 
1 1 1 -6  5  19 o 369.2267 4.910478 1389.059       36.86959  1419.637       
52.31705  1358.889       51.96764  372.8871 6.899450 364.7984 7.005331 
8.088684       9.832450 
1 1 1 -6  5  20 o 79.19811 9.999168 65.40909       15.74498  47.17930       
21.82977  85.17535       22.73111  65.95861 16.35570 89.93145 12.79000 
-23.97284      20.76278 
1 1 1 -6  5  21 o 133.5678 8.014210 183.3848       21.66713  170.1321       
27.00418  207.3365       36.30324  128.1364 10.45463 140.9201 12.80824 
-12.78374      16.53331 
1 1 1 -6  5  22 o 146.7012 6.810001 220.1078       20.31573  239.1964       
28.76188  201.1016       28.69977  152.2635 9.334065 139.3620 10.19786 
12.90150       13.82466 
1 1 1 -6  5  23 o 285.7183 5.284959 833.5513       30.70655  792.3922       
42.41055  878.9011       44.51725  277.9806 7.502534 292.7701 7.477394 
-14.78949      10.59242 
1 1 1 -6  5  24 o 204.0118 6.198411 426.4922       25.71503  374.8437       
35.97546  480.4492       36.77066  190.3416 9.294396 215.8423 8.377481 
-25.50070      12.51271 
1 1 1 -6  5  25 o 60.24277 17.44166 41.31841       22.59345  28.87476       
39.01332  47.59777       27.71382  57.29607 22.64004 64.20675 19.50526 
-6.910675      29.88355 
1 1 1 -6  5  26 f 65.70582 18.66044 51.72931       26.09988  13.20495       
35.07103  99.55045       39.07425  48.63729 20.57166 89.33263 21.71994 
-40.69534      29.91570 
1 1 1 -6  6  1  o 249.7702 3.370776 634.5897       17.12072  638.5714       
24.28595  630.6559       24.13942  250.4978 4.767601 248.9403 4.768481 
1.557434       6.743028 
1 1 1 -6  6  2  o 166.6893 3.209213 282.6231       10.87821  300.0125       
15.59822  266.1568       15.17860  171.7092 4.467145 161.7266 4.615288 
9.982574       6.423104 
1 1 1 -6  6  3  o 401.7983 4.129493 1642.547       33.74087  1658.801       
48.04040  1626.724       47.39964  403.6500 5.852618 399.7301 5.831184 
3.919891       8.261709 
1 1 1 -6  6  4  o 458.6964 4.497322 2140.944       41.94989  2099.573       
58.50556  2184.721       60.18216  454.0715 6.336092 463.1815 6.389475 
-9.109985      8.998414 
1 1 1 -6  6  5  o 274.6583 3.546413 767.3846       19.80767  777.9252       
28.16796  757.0740       27.85914  276.4728 5.010160 272.7417 5.023018 
3.731049       7.094534 
1 1 1 -6  6  6  o 303.3938 5.240113 936.8416       32.32949  0.000000       
0.000000  936.8416       32.32949  ?        ?        303.3938 5.240113 
0.000000       5.240113 
1 1 1 -6  6  7  o 482.3829 4.733779 2367.635       46.43563  2428.326       
66.94818  2311.367       64.46214  488.3476 6.741527 476.4509 6.653269 
11.89673       9.471757 
1 1 1 -6  6  8  o 103.1205 4.674815 108.1856       9.803037  96.08489       
13.76759  120.6298       13.96162  96.89155 7.035467 108.6777 6.345059 
-11.78615      9.474047 
1 1 1 -6  6  9  o 327.0436 4.002675 1087.906       26.61996  1072.340       
37.50303  1103.711       37.79123  324.6355 5.680923 329.3515 5.642610 
-4.715973      8.006993 
1 1 1 -6  6  10 o 411.6665 4.459037 1723.749       37.32828  1716.063       
52.51286  1731.599       53.07191  410.6722 6.288091 412.5251 6.326490 
-1.852905      8.919898 
1 1 1 -6  6  11 o 194.9746 4.191048 386.6392       16.61698  372.7727       
23.31992  400.9424       23.68423  191.4168 5.990946 198.5201 5.866829 
-7.103226      8.385173 
1 1 1 -6  6  12 o 717.5780 6.499669 5239.393       94.84441  5402.950       
137.7978  5092.160       130.7408  728.4097 9.302828 707.1736 9.091463 
21.23615       13.00759 
1 1 1 -6  6  13 o 704.5657 7.451721 5053.251       106.7651  5003.303       
129.6398  5158.538       188.2184  700.8748 9.095918 711.0181 13.01758 
-10.14325      15.88058 
1 1 1 -6  6  14 o 150.1396 5.647023 229.3944       17.24115  182.6930       
24.05369  278.7411       24.72552  133.6079 8.904151 165.4534 7.348833 
-31.84543      11.54510 
1 1 1 -6  6  15 o 198.7786 5.666535 402.2209       22.90544  379.9222       
27.87402  448.5908       40.19554  193.1263 7.097523 209.7094 9.425591 
-16.58310      11.79901 
1 1 1 -6  6  16 o 407.6926 4.858871 1691.950       40.28279  1740.687       
58.19646  1647.119       55.81507  413.2775 6.924738 402.0296 6.827190 
11.24789       9.724326 
1 1 1 -6  6  17 o 291.1042 4.664623 862.8011       27.61319  884.5002       
39.34092  841.7302       38.76728  294.5450 6.568124 287.3275 6.634937 
7.217560       9.336094 
1 1 1 -6  6  18 o 203.1917 5.027562 420.6027       20.77375  427.1778       
29.48730  414.1237       29.27093  204.5790 7.087980 201.4225 7.146231 
3.156479       10.06519 
1 1 1 -6  6  19 o 206.5510 6.023025 435.1824       25.29841  454.2868       
30.81851  395.7113       44.29806  210.8928 7.186185 195.8893 11.16671 
15.00357       13.27918 
1 1 1 -6  6  20 o 226.6397 5.151741 523.6950       23.74332  473.2416       
32.51753  581.3131       34.74976  215.1290 7.433051 238.4786 7.165573 
-23.34961      10.32452 
1 1 1 -6  6  21 o 147.2712 7.466090 222.5257       22.28642  213.4854       
27.67789  239.1941       37.58285  143.8345 9.516553 151.5668 12.29975 
-7.732391      15.55148 
1 1 1 -6  6  22 o 51.65121 15.39954 28.36445       17.39409  62.16820       
25.18388  -2.471505      24.05298  75.43819 16.84264 38.28396 16.62599 
37.15423       23.66639 
1 1 1 -6  6  23 o 87.73227 10.71537 80.76008       18.71964  61.54523       
26.27548  100.5655       26.67621  74.63000 17.59953 97.12063 13.90382 
-22.49063      22.42899 
1 1 1 -6  6  24 o 109.9076 9.170071 125.7870       20.30804  110.7812       
28.60318  141.0403       28.83809  101.3963 14.26661 115.3113 12.49830 
-13.91501      18.96691 
1 1 1 -6  6  25 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -6  6  26 o 77.87103 17.47772 71.47477       26.99726  50.22850       
36.40126  97.44824       40.24763  64.26601 22.53355 87.65014 22.47414 
-23.38412      31.82527 
1 1 1 -6  7  1  o 65.09957 5.087330 43.39597       6.681199  46.28081       
10.85987  41.63912       8.474846  66.88905 8.152624 63.59449 6.651741 
3.294556       10.52193 
1 1 1 -6  7  2  o 258.3589 3.389657 678.9872       17.80864  676.6240       
25.22035  681.3373       25.15023  257.8508 4.809846 258.7488 4.779828 
-0.8979492     6.780957 
1 1 1 -6  7  3  o 200.8243 3.259409 410.2343       13.31087  400.7746       
18.70139  419.9471       18.94991  198.4539 4.634072 203.1471 4.587173 
-4.693146      6.520490 
1 1 1 -6  7  4  o 345.9410 3.837981 1217.505       26.99954  1204.970       
38.01915  1230.258       38.34922  344.0580 5.433994 347.6503 5.424535 
-3.592224      7.678143 
1 1 1 -6  7  5  o 371.9997 4.594446 1408.162       34.75579  1471.209       
61.52194  1378.608       42.12126  379.9333 7.962898 368.0020 5.628591 
11.93134       9.751348 
1 1 1 -6  7  6  o 281.5265 4.172014 806.3518       23.88452  764.3014       
39.78517  830.0467       29.86510  273.9266 7.142258 285.5878 5.142483 
-11.66116      8.800965 
1 1 1 -6  7  7  o 377.6586 4.135738 1450.945       31.76171  1473.870       
45.49266  1429.143       44.36428  380.5273 5.879008 374.7129 5.822149 
5.814453       8.274065 
1 1 1 -6  7  8  o 78.34873 5.696159 62.79778       9.013294  83.07062       
12.92624  43.61325       12.57449  90.04820 7.117043 64.67499 9.873992 
25.37321       12.17161 
1 1 1 -6  7  9  o 265.9130 3.835581 719.1884       20.74064  726.9775       
29.58910  711.6645       29.08089  267.3047 5.443443 264.4757 5.407177 
2.829041       7.672590 
1 1 1 -6  7  10 o 373.2630 4.288234 1417.093       32.54954  1417.469       
45.96762  1416.714       46.09665  373.2498 6.056212 373.1495 6.074842 
0.1002502      8.577960 
1 1 1 -6  7  11 o 80.99900 6.947049 67.25397       11.33204  69.49127       
16.18649  65.10329       15.87005  82.00977 9.906650 79.31869 10.06557 
2.691078       14.12294 
1 1 1 -6  7  12 o 344.7660 4.376269 1208.981       30.68174  1292.978       
44.92398  1135.549       42.00410  356.4800 6.197145 334.0745 6.182966 
22.40549       8.754066 
1 1 1 -6  7  13 o 233.1127 5.191400 552.8498       24.60945  548.8275       
30.14243  560.8911       42.61880  232.2285 6.382802 234.6677 8.930925 
-2.439240      10.97732 
1 1 1 -6  7  14 o 411.9725 4.846652 1726.795       40.60331  1831.838       
60.46344  1640.517       54.79730  424.1672 7.009779 401.4286 6.712733 
22.73853       9.705555 
1 1 1 -6  7  15 o 114.7339 7.775298 134.7623       18.03386  127.4349       
22.15707  149.1425       31.03986  111.3137 9.891479 120.0571 12.91720 
-8.743439      16.26946 
1 1 1 -6  7  16 o 107.0444 7.221659 117.3401       15.62809  104.1500       
21.81694  131.2414       22.39740  100.3333 10.86659 112.9124 9.853214 
-12.57903      14.66862 
1 1 1 -6  7  17 o 141.6533 5.868708 204.4737       16.90521  195.2007       
23.71357  214.0565       24.10644  137.9795 8.492692 144.5480 8.235141 
-6.568497      11.82977 
1 1 1 -6  7  18 o 207.1117 4.928200 436.9719       20.75603  432.2939       
29.65444  441.4646       29.06146  205.7923 7.086133 207.9879 6.871127 
-2.195663      9.870443 
1 1 1 -6  7  19 o 366.7882 5.628953 1371.812       41.98503  1329.695       
50.54280  1465.570       75.41147  360.8577 6.887663 378.0170 9.810128 
-17.15927      11.98660 
1 1 1 -6  7  20 o 160.0142 5.903685 261.2901       19.21025  234.3221       
26.76259  289.9539       27.59115  150.9548 8.755873 168.2978 8.061946 
-17.34305      11.90211 
1 1 1 -6  7  21 o 142.8338 7.667349 209.4761       22.18896  209.7348       
27.88008  209.0291       36.64774  142.5125 9.677678 141.4402 12.88282 
1.072266       16.11287 
1 1 1 -6  7  22 o 166.2377 6.388020 282.4802       21.59470  296.8761       
30.56268  268.1278       30.51641  169.7767 8.883293 161.2113 9.348788 
8.565414       12.89623 
1 1 1 -6  7  23 o 171.2208 6.396817 300.0078       22.27265  284.1684       
32.03868  314.8218       30.98433  165.7248 9.547227 174.9180 8.710765 
-9.193176      12.92389 
1 1 1 -6  7  24 o 95.25209 10.30504 95.35715       19.64249  69.67917       
28.10107  119.8896       27.46712  78.71758 17.95275 105.9834 13.01825 
-27.26583      22.17602 
1 1 1 -6  7  25 o 50.36169 17.45982 26.66765       21.82478  50.47648       
40.27449  16.76934       25.96820  66.42270 23.66165 46.63026 18.45660 
19.79244       30.00866 
1 1 1 -6  7  26 o 156.9673 9.977432 261.8771       31.68243  181.3807       
41.79885  370.5723       48.57146  125.6468 16.77836 184.0764 13.06050 
-58.42962      21.26241 
1 1 1 -6  8  1  o 106.3394 3.976151 115.0465       8.598219  88.73030       
13.58077  132.6520       11.10801  93.04387 7.234580 114.1709 4.784420 
-21.12701      8.673513 
1 1 1 -6  8  2  o 271.2444 3.929063 748.5215       21.67211  750.6378       
36.90519  747.4077       26.77504  271.4730 6.685122 270.9995 4.858590 
0.4735718      8.264185 
1 1 1 -6  8  3  o 285.8238 3.527514 831.0520       20.50306  880.0540       
29.97636  787.9760       28.10539  294.0574 5.012973 278.2516 4.967072 
15.80573       7.057032 
1 1 1 -6  8  4  o 149.7554 3.796148 228.1537       11.56052  195.3740       
18.78178  248.1477       14.66841  138.5004 6.668593 156.1586 4.619188 
-17.65822      8.112153 
1 1 1 -6  8  5  o 340.3557 4.406499 1178.695       30.49847  1237.953       
53.90361  1150.793       36.98825  348.5572 7.604880 336.2415 5.409548 
12.31567       9.332600 
1 1 1 -6  8  6  o 299.6837 3.712826 913.5900       22.62659  846.0944       
30.75520  993.2252       33.40665  288.3337 5.245317 312.3985 5.258629 
-24.06473      7.427417 
1 1 1 -6  8  7  o 688.9015 7.115514 4832.800       99.68156  4720.592       
169.4604  4892.168       123.2623  679.8373 12.25778 692.8495 8.748631 
-13.01227      15.05961 
1 1 1 -6  8  8  o 406.5397 4.329627 1681.267       35.79356  1661.847       
50.29300  1701.199       50.95292  404.0879 6.120406 408.8438 6.128585 
-4.755829      8.661346 
1 1 1 -6  8  9  o 370.0934 4.212544 1393.190       31.70350  1390.062       
44.89666  1396.301       44.77464  369.6061 5.973425 370.4362 5.943842 
-0.8300171     8.426807 
1 1 1 -6  8  10 o 248.9019 3.957723 630.0888       20.03203  622.4432       
28.32021  637.7445       28.33894  247.3511 5.630297 250.3745 5.565985 
-3.023453      7.917098 
1 1 1 -6  8  11 o 542.1130 5.291121 2989.573       58.32959  2924.013       
81.24239  3059.322       83.79795  536.0095 7.453476 548.2667 7.516058 
-12.25720      10.58515 
1 1 1 -6  8  12 o 334.6859 6.138258 1139.721       41.77669  1139.721       
41.77669  0.000000       0.000000  334.6859 6.138258 ?        ?        
0.000000       6.138258 
1 1 1 -6  8  13 o 517.5181 5.285892 2724.871       55.62822  2734.498       
78.82772  2715.320       78.51360  518.2681 7.479510 516.4478 7.475962 
1.820313       10.57512 
1 1 1 -6  8  14 o 121.5514 9.190740 151.4453       22.54973  0.000000       
0.000000  151.4453       22.54973  ?        ?        121.5514 9.190740 
0.000000       9.190740 
1 1 1 -6  8  15 o 263.8328 5.293198 708.5252       28.39869  677.3110       
34.47555  774.4116       50.08800  257.8791 6.574212 275.5476 8.938931 
-17.66855      11.09616 
1 1 1 -6  8  16 o 101.1433 7.506846 104.8910       15.32981  98.50872       
22.25687  110.6515       21.14508  97.44092 11.45070 103.5500 10.17305 
-6.109070      15.31696 
1 1 1 -6  8  17 o 189.7837 5.140509 366.8601       19.83885  359.6822       
27.59806  374.5354       28.53830  187.7573 7.228202 191.5859 7.325090 
-3.828629      10.29096 
1 1 1 -6  8  18 o 370.0593 4.794062 1394.959       36.07667  1344.098       
49.94600  1450.444       52.16665  362.9200 6.767657 376.9964 6.804626 
-14.07639      9.597090 
1 1 1 -6  8  19 o 35.94404 14.66499 5.242772       16.93234  11.34908       
20.53180  -7.739768      29.93763  42.09538 16.48947 41.24204 18.21025 
0.8533401      24.56656 
1 1 1 -6  8  20 o 47.56252 14.61740 23.58301       15.50630  29.42223       
21.86157  17.67095       21.99749  53.66502 17.46858 46.46643 17.34022 
7.198593       24.61370 
1 1 1 -6  8  21 o 35.01944 14.91788 0.5822308      18.66703  -21.24931      
23.27763  39.91918       31.24618  31.52589 14.71861 62.38946 20.90761 
-30.86356      25.56884 
1 1 1 -6  8  22 o 44.31775 15.54218 18.49909       17.31774  40.80183       
25.01857  -2.016792      23.99542  61.51765 18.49778 38.38897 16.63877 
23.12868       24.88004 
1 1 1 -6  8  23 o 292.3752 5.364909 873.2237       31.89732  799.9876       
44.11750  953.4391       46.17185  279.1343 7.772241 304.8529 7.447929 
-25.71860      10.76473 
1 1 1 -6  8  24 o 115.9688 8.740222 139.7853       20.46025  162.1054       
29.06218  117.8511       28.80981  123.9249 11.66980 104.6737 13.87688 
19.25120       18.13152 
1 1 1 -6  8  25 f 108.5582 10.88316 125.4278       23.70178  116.4778       
43.09739  129.3084       28.37884  98.18298 22.11669 109.2119 13.03592 
-11.02891      25.67262 
1 1 1 -6  9  1  o 458.5045 5.153163 2139.630       48.04730  2208.143       
84.31807  2106.686       58.46878  465.3296 8.910632 454.8474 6.321307 
10.48218       10.92512 
1 1 1 -6  9  2  o 382.7074 4.602117 1490.425       35.81590  1479.605       
60.82506  1496.168       44.31271  381.0184 7.850281 383.3617 5.684185 
-2.343292      9.692103 
1 1 1 -6  9  3  o 436.0062 4.985802 1934.746       44.20578  1923.714       
75.45380  1940.512       54.54755  434.3579 8.542439 436.5466 6.144594 
-2.188690      10.52280 
1 1 1 -6  9  4  o 284.8669 4.049065 825.6122       23.45568  757.8250       
38.13567  866.8597       29.74794  272.7618 6.875375 291.8477 5.012440 
-19.08588      8.508545 
1 1 1 -6  9  5  o 379.8484 4.649371 1468.178       35.91335  1479.647       
61.84940  1462.344       44.11160  381.0420 7.981990 379.0174 5.723244 
2.024597       9.821797 
1 1 1 -6  9  6  o 621.6826 5.645722 3933.795       71.37393  3904.943       
100.2945  3963.399       101.5940  619.0789 7.966724 623.6882 8.010305 
-4.609375      11.29751 
1 1 1 -6  9  7  o 158.8118 4.327675 256.5807       13.97619  232.7601       
24.32512  268.3195       17.07612  150.9537 7.952332 162.3851 5.171205 
-11.43134      9.485829 
1 1 1 -6  9  8  o 365.0793 4.115815 1355.745       30.55585  1369.132       
43.54030  1342.755       42.89199  366.7994 5.837292 363.2505 5.806556 
3.548920       8.233473 
1 1 1 -6  9  9  o 477.7838 4.816779 2322.174       46.79932  2330.241       
66.29926  2314.162       66.06980  478.4969 6.813624 476.8432 6.813590 
1.653717       9.635896 
1 1 1 -6  9  10 o 612.1494 5.723245 3812.345       71.24448  3672.347       
97.67446  3971.511       104.1465  600.6360 7.996836 624.6038 8.199522 
-23.96771      11.45345 
1 1 1 -6  9  11 o 288.1975 4.115849 844.7532       24.12132  850.7924       
34.31363  838.8535       33.91525  289.1828 5.835026 287.1474 5.808161 
2.035370       8.232999 
1 1 1 -6  9  12 o 352.6865 4.428303 1265.209       31.75978  1220.025       
44.14391  1313.695       45.72821  346.2661 6.269160 359.3135 6.258342 
-13.04745      8.858285 
1 1 1 -6  9  13 o 447.6958 4.907306 2039.077       44.67633  2111.458       
64.77294  1973.395       61.70258  455.4393 6.993775 440.3050 6.891255 
15.13437       9.818466 
1 1 1 -6  9  14 o 159.4199 7.655766 258.8681       24.81891  0.000000       
0.000000  258.8681       24.81891  ?        ?        159.4199 7.655766 
0.000000       7.655766 
1 1 1 -6  9  15 o 139.9489 6.738605 199.5116       19.17746  195.2020       
23.65757  207.7709       32.75045  138.0977 8.465113 142.1173 11.42896 
-4.019592      14.22249 
1 1 1 -6  9  16 f 129.2952 6.352186 170.3487       16.70156  161.1570       
23.63923  179.5099       23.59995  125.2553 9.348158 132.3014 8.822528 
-7.046028      12.85399 
1 1 1 -6  9  17 o 166.4870 5.471388 282.4053       18.52377  313.3616       
26.51640  252.8988       25.88803  175.2221 7.441733 157.1479 8.128823 
18.07423       11.02076 
1 1 1 -6  9  18 o 112.0166 6.930762 128.5688       15.71000  107.7249       
22.96471  146.9038       21.53839  101.7965 11.28352 119.4829 8.929068 
-17.68643      14.38909 
1 1 1 -6  9  19 o 208.2458 5.984169 442.4293       25.34145  426.4794       
30.77693  476.0090       44.65657  204.2738 7.409028 215.3122 10.19918 
-11.03842      12.60623 
1 1 1 -6  9  20 o 161.6619 5.951240 266.7605       19.56440  254.0648       
27.71157  279.3771       27.62510  157.1873 8.703387 165.1498 8.225729 
-7.962494      11.97546 
1 1 1 -6  9  21 o 78.85027 13.11229 66.16604       20.28650  70.88180       
25.28073  57.63807       33.99665  80.93503 15.92757 72.51620 21.50831 
8.418823       26.76369 
1 1 1 -6  9  22 o 96.17467 9.417610 96.05534       18.18210  115.7344       
25.84313  76.76662       25.58555  104.9307 12.34754 84.31393 15.49352 
20.61681       19.81189 
1 1 1 -6  9  23 o 112.3047 9.007007 130.7760       20.39670  164.2101       
28.63938  96.36282       29.05572  125.2559 11.36763 94.31953 15.70077 
30.93636       19.38394 
1 1 1 -6  9  24 o 72.96134 13.87869 58.14228       19.83927  43.68427       
28.35757  72.00307       27.76571  62.66689 19.84658 80.03127 17.54450 
-17.36438      26.48955 
1 1 1 -6  9  25 o 41.76944 16.92520 11.07039       22.36925  28.38747       
40.24163  3.326755       26.90983  56.99490 22.83869 41.32642 17.76531 
15.66848       28.93461 
1 1 1 -6  10 1  o 383.9464 4.025035 1499.735       31.42618  1512.234       
44.70389  1487.523       44.18728  385.4303 5.703586 382.2698 5.684285 
3.160522       8.052453 
1 1 1 -6  10 2  o 198.6297 3.637996 401.3504       14.69461  363.0900       
23.71745  425.1876       18.72063  188.8376 6.176296 204.4164 4.503531 
-15.57880      7.643849 
1 1 1 -6  10 3  o 300.1035 4.090790 916.2985       24.96489  991.6714       
44.23074  881.0607       30.24269  312.0155 6.971024 294.2276 5.054586 
17.78793       8.610692 
1 1 1 -6  10 4  o 365.9714 4.513625 1362.821       33.59109  1309.546       
55.95650  1392.836       42.00096  358.4949 7.675668 369.9066 5.583618 
-11.41174      9.491715 
1 1 1 -6  10 5  o 161.3855 3.427486 264.9268       11.24842  258.0200       
15.76482  272.0898       16.05447  159.2351 4.868542 163.5201 4.828067 
-4.285049      6.856598 
1 1 1 -6  10 6  o 335.9635 3.865945 1148.185       26.41187  1147.666       
37.37033  1148.704       37.33375  335.8074 5.472493 335.9598 5.464657 
-0.1523438     7.733735 
1 1 1 -6  10 7  o 479.4545 5.471774 2339.246       53.34908  2323.850       
92.63226  2346.887       65.25851  477.4711 9.540339 480.1391 6.683725 
-2.668030      11.64862 
1 1 1 -6  10 8  o 444.9585 4.560759 2014.088       41.26749  1906.302       
56.11700  2141.023       60.89778  432.7849 6.376333 458.6448 6.529404 
-25.85999      9.126376 
1 1 1 -6  10 9  o 124.1593 5.372002 156.8315       13.56335  153.5504       
16.48699  163.7019       23.85730  122.6559 6.634671 126.4311 9.345546 
-3.775223      11.46115 
1 1 1 -6  10 10 o 1012.629 8.627832 10440.01       177.6656  10289.41       
247.7942  10599.33       254.8694  1004.646 12.12905 1019.628 12.29206 
-14.98181      17.26872 
1 1 1 -6  10 11 o 159.0763 4.572962 257.3914       14.79294  248.3839       
20.85812  266.5073       20.98320  156.2373 6.565067 161.8404 6.375781 
-5.603104      9.151540 
1 1 1 -6  10 12 o 336.0185 6.232432 1148.911       42.58652  1148.911       
42.58652  0.000000       0.000000  336.0185 6.232432 ?        ?        
0.000000       6.232432 
1 1 1 -6  10 13 o 394.0751 4.700852 1579.854       37.67099  1544.866       
52.67820  1616.472       53.89219  389.5806 6.649396 398.5069 6.650258 
-8.926361      9.404276 
1 1 1 -6  10 14 o 194.1013 7.036766 383.6782       27.77493  0.000000       
0.000000  383.6782       27.77493  ?        ?        194.1013 7.036766 
0.000000       7.036766 
1 1 1 -6  10 15 o 402.3187 4.874392 1647.430       39.87880  1589.176       
54.78035  1713.108       58.16609  394.9478 6.820774 410.0398 6.975775 
-15.09198      9.756249 
1 1 1 -6  10 16 o 128.8677 6.275858 169.2320       16.44632  170.7699       
23.30657  167.7066       23.21093  128.9988 8.939809 127.8247 8.986629 
1.174095       12.67595 
1 1 1 -6  10 17 o 258.6254 4.703641 681.1552       24.73755  645.5707       
34.22516  720.0811       35.79605  251.5773 6.689946 265.7074 6.624912 
-14.13007      9.415138 
1 1 1 -6  10 18 o 235.8635 4.828285 566.7578       23.15821  581.8146       
32.92712  552.0195       32.57701  238.7478 6.782079 232.5400 6.889096 
6.207870       9.667276 
1 1 1 -6  10 19 o 64.52868 13.81940 44.70972       17.58737  47.41418       
21.03036  38.41813       32.07643  66.19706 15.83542 62.13480 21.18178 
4.062263       26.44671 
1 1 1 -6  10 20 o 262.4552 5.038836 702.3804       26.89285  706.7628       
38.69091  698.2844       37.40609  262.8743 7.237847 261.3344 7.038730 
1.539886       10.09605 
1 1 1 -6  10 21 o 120.8714 8.915704 150.8265       21.75975  141.7127       
27.12444  167.2815       36.44671  116.5265 11.60104 125.8435 14.50787 
-9.317024      18.57586 
1 1 1 -6  10 22 o 114.6769 8.266915 135.6661       19.14910  139.1773       
27.05609  132.1419       27.10582  115.3435 11.69686 112.2617 12.06272 
3.081810       16.80255 
1 1 1 -6  10 23 o 64.76619 14.52671 45.83498       18.66085  41.26859       
25.94313  50.73046       26.86169  61.52390 18.90704 67.52038 18.84554 
-5.996479      26.69514 
1 1 1 -6  10 24 o 67.25696 14.91906 50.11555       19.87063  55.72334       
27.48719  43.97703       28.75851  69.89597 18.88947 62.77392 19.99767 
7.122047       27.50853 
1 1 1 -6  10 25 o 56.00833 17.54537 35.65919       22.22010  -10.43018      
39.49550  57.00288       26.87708  44.55132 20.19429 69.58479 18.62553 
-25.03346      27.47216 
1 1 1 -6  11 1  o 447.3185 6.255045 2037.215       56.89823  2037.215       
56.89823  0.000000       0.000000  447.3185 6.255045 ?        ?        
0.000000       6.255045 
1 1 1 -6  11 2  o 326.0376 4.322324 1081.547       28.65738  1070.458       
34.55056  1105.995       51.30159  324.3114 5.238914 329.4681 7.657131 
-5.156677      9.277816 
1 1 1 -6  11 3  o 155.9916 3.931866 247.5514       12.47244  243.0883       
14.78927  258.5436       23.20998  154.5605 4.705401 159.3147 7.164198 
-4.754166      8.571262 
1 1 1 -6  11 4  o 113.0567 4.254047 130.0435       9.780255  129.7478       
11.70985  130.7259       17.78482  112.9125 5.099854 113.0023 7.786989 
-0.8984375E-01 9.308368 
1 1 1 -6  11 5  o 304.5288 3.682302 943.3507       22.80338  1002.626       
33.30097  891.0168       31.29054  313.8795 5.217259 295.8952 5.200244 
17.98438       7.366297 
1 1 1 -6  11 6  o 357.4326 3.976132 1299.626       28.90057  1316.844       
41.18746  1282.926       40.56287  359.7058 5.630748 355.0439 5.618174 
4.661896       7.954194 
1 1 1 -6  11 7  f 595.8543 6.361098 3613.850       77.07678  3550.663       
132.4524  3646.203       94.77677  589.9826 11.04000 598.3545 7.789184 
-8.371887      13.51122 
1 1 1 -6  11 8  o 655.9794 5.943476 4378.812       79.28338  4362.446       
111.8456  4395.341       112.4038  654.4858 8.403634 656.9475 8.413927 
-2.461670      11.89181 
1 1 1 -6  11 9  o 252.3467 4.522406 647.7256       23.20698  663.7135       
28.45138  615.9427       40.11471  255.4181 5.477724 245.9718 8.019861 
9.446304       9.712036 
1 1 1 -6  11 10 o 266.0224 4.037786 719.7548       21.84303  671.0159       
30.16086  773.5143       31.67624  256.8183 5.775190 275.7397 5.649147 
-18.92145      8.078718 
1 1 1 -6  11 11 o 585.6412 5.585834 3489.256       66.52288  3360.570       
91.13686  3636.003       97.32262  574.5845 7.799893 597.6495 8.007848 
-23.06494      11.17873 
1 1 1 -6  11 12 o 282.6873 8.565561 813.7792       49.23948  0.000000       
0.000000  813.7792       49.23948  ?        ?        282.6873 8.565561 
0.000000       8.565561 
1 1 1 -6  11 13 o 325.3745 4.476023 1077.001       29.61606  1085.763       
41.95790  1068.302       41.80936  326.6105 6.317310 323.9720 6.346212 
2.638458       8.954486 
1 1 1 -6  11 14 f 165.6364 7.658541 279.5119       25.79605  0.000000       
0.000000  279.5119       25.79605  ?        ?        165.6364 7.658541 
0.000000       7.658541 
1 1 1 -6  11 15 o 313.1436 4.647648 998.0157       29.59567  1010.284       
41.64078  985.4926       42.07174  314.9136 6.502436 311.0118 6.652151 
3.901733       9.302300 
1 1 1 -6  11 16 o 208.4149 4.942865 442.2934       20.94879  439.3659       
29.82703  445.1433       29.42911  207.5667 7.066445 208.9390 6.926378 
-1.372375      9.894916 
1 1 1 -6  11 17 f 163.8863 5.417972 273.6830       18.05639  286.8638       
25.18160  259.7341       25.90495  167.6306 7.387178 159.2505 8.025059 
8.380142       10.90743 
1 1 1 -6  11 18 f 301.9022 4.704654 928.5186       28.88320  962.9926       
41.09857  894.8760       40.60003  307.1732 6.579485 296.0821 6.743148 
11.09109       9.421235 
1 1 1 -6  11 19 o 70.57863 12.96047 53.04856       17.91591  48.04698       
21.39516  64.78632       32.77588  66.59824 15.99819 76.86215 20.56588 
-10.26391      26.05566 
1 1 1 -6  11 20 f 159.8954 6.185279 261.1051       20.11160  241.5155       
28.31115  281.0613       28.57489  153.1173 9.134055 165.3506 8.527242 
-12.23332      12.49579 
1 1 1 -6  11 21 o 159.0929 7.319717 259.1287       23.68081  271.9533       
29.70509  236.7669       39.22487  162.4492 9.027718 150.4603 12.94607 
11.98897       15.78292 
1 1 1 -6  11 22 o 149.0564 7.037433 227.5096       21.33125  230.3592       
30.49322  224.7789       29.85092  149.0992 10.11706 147.2993 10.02529 
1.799820       14.24294 
1 1 1 -6  11 23 o 83.09072 11.64462 73.19527       19.13529  66.13677       
26.97102  80.34915       27.15266  77.12643 17.58676 85.66158 16.18046 
-8.535149      23.89773 
1 1 1 -6  11 24 o 114.3536 8.785151 136.2495       20.27299  126.5926       
28.53773  146.0879       28.80481  108.5730 13.19682 117.1324 12.27547 
-8.559380      18.02341 
1 1 1 -6  11 25 o 62.92823 17.19063 46.02579       22.62147  34.73627       
40.28885  51.22363       27.33749  59.01260 23.10348 65.73594 19.22997 
-6.723343      30.05932 
1 1 1 -6  12 1  o 368.6737 3.945683 1382.699       29.58120  1350.191       
41.21331  1417.242       42.48389  364.2221 5.564418 373.1540 5.598669 
-8.931885      7.893532 
1 1 1 -6  12 2  o 225.8000 3.292706 518.5966       15.11919  480.1563       
20.79648  561.6907       22.01941  217.2285 4.707839 234.9530 4.608644 
-17.72447      6.588122 
1 1 1 -6  12 3  o 641.6772 5.746617 4191.277       74.98602  4196.357       
106.1899  4186.224       105.9032  641.7012 8.137649 640.9281 8.125464 
0.7730713      11.49976 
1 1 1 -6  12 4  o 208.6361 3.324888 442.7527       14.10645  442.8463       
19.99874  442.6600       19.90069  208.6191 4.714083 208.5760 4.691940 
0.4316711E-01  6.651081 
1 1 1 -6  12 5  o 355.6679 3.932287 1286.836       28.44077  1302.083       
40.57407  1272.108       39.87762  357.6802 5.578304 353.5411 5.546741 
4.139099       7.866626 
1 1 1 -6  12 6  o 417.7251 4.320502 1775.147       36.70086  1733.099       
51.00339  1820.297       52.85164  412.6404 6.078212 422.8888 6.145835 
-10.24838      8.643839 
1 1 1 -6  12 7  o 455.8117 6.567779 2114.795       60.87731  2221.107       
89.36207  2022.730       83.15924  466.8588 9.412744 445.5473 9.178364 
21.31149       13.14694 
1 1 1 -6  12 8  o 329.4522 4.662114 1104.115       31.23393  1121.993       
38.34354  1068.858       53.84703  332.0703 5.678202 323.9885 8.172985 
8.081757       9.951867 
1 1 1 -6  12 9  o 349.4884 4.869341 1242.468       34.60623  1251.036       
42.29334  1225.111       60.19810  350.6525 5.931215 346.8745 8.534125 
3.777954       10.39282 
1 1 1 -6  12 10 o 808.6490 8.227558 6656.941       135.2952  6780.917       
168.1450  6429.274       227.8577  815.8854 10.13452 793.7550 14.11646 
22.13037       17.37766 
1 1 1 -6  12 11 f 301.7581 4.891842 926.2687       30.01807  902.1870       
36.06720  980.5508       54.14973  297.7769 5.956210 310.3275 8.580737 
-12.55060      10.44536 
1 1 1 -6  12 12 o 614.6124 6.752120 3844.743       84.39037  3769.976       
101.7058  4009.985       151.2004  608.4575 8.219854 627.0149 11.85834 
-18.55743      14.42866 
1 1 1 -6  12 13 o 437.8582 6.923950 1951.947       61.65081  0.000000       
0.000000  1951.947       61.65081  ?        ?        437.8582 6.923950 
0.000000       6.923950 
1 1 1 -6  12 14 o 113.4657 9.803229 132.3311       22.39746  0.000000       
0.000000  132.3311       22.39746  ?        ?        113.4657 9.803229 
0.000000       9.803229 
1 1 1 -6  12 15 o 85.03460 8.808805 74.58154       15.01133  84.09718       
21.12514  64.87605       21.33486  89.87875 11.84692 78.37581 13.89490 
11.50294       18.25974 
1 1 1 -6  12 16 o 172.5419 5.288529 303.2290       18.55585  291.4196       
26.23618  315.0489       26.24769  168.9885 7.634703 175.7298 7.345041 
-6.741348      10.59426 
1 1 1 -6  12 17 o 108.7431 6.897172 121.1541       15.17297  137.8314       
21.58591  104.8670       21.33197  115.6857 9.253142 100.5817 10.58846 
15.10396       14.06187 
1 1 1 -6  12 18 o 34.27547 13.59711 6.602595       14.12335  -3.621447      
19.68056  17.45872       20.27979  34.22793 14.94901 45.47527 16.70907 
-11.24734      22.42021 
1 1 1 -6  12 19 o 38.45828 15.12606 9.157179       17.33918  22.89716       
20.66805  -23.49267      31.86008  48.99435 16.99055 38.14716 17.60505 
10.84719       24.46664 
1 1 1 -6  12 20 o 212.9036 5.514593 462.5544       23.87525  441.2733       
33.95950  483.3542       33.57322  207.5245 8.047120 217.2847 7.598229 
-9.760208      11.06748 
1 1 1 -6  12 21 o 217.2992 6.324028 482.6469       27.94495  509.6805       
35.10568  435.8880       46.16974  223.0096 7.741095 205.0960 11.11148 
17.91357       13.54214 
1 1 1 -6  12 22 o 60.44288 14.92174 39.83912       18.23043  49.18717       
26.22379  31.09588       25.36127  66.81185 18.61073 55.44031 18.83485 
11.37154       26.47850 
1 1 1 -6  12 23 o 26.31409 12.54434 -23.24739      18.60217  10.24339       
26.08430  -57.90915      26.53640  44.62334 18.20342 26.73897 13.22518 
17.88437       22.50045 
1 1 1 -6  12 24 o 75.67960 13.28307 62.43658       19.69659  96.06428       
27.53802  27.21385       28.18356  93.54568 14.98192 53.16555 19.66943 
40.38013       24.72538 
1 1 1 -6  12 25 o 98.22716 11.98827 104.6037       23.44950  107.6124       
42.02674  103.2436       28.25706  92.97415 22.47666 95.99117 14.96372 
-3.017014      27.00210 
1 1 1 -6  13 1  o 374.7006 3.971853 1428.246       30.26418  1422.060       
42.68734  1434.497       42.91360  373.7969 5.615804 375.4275 5.621051 
-1.630585      7.945657 
1 1 1 -6  13 2  o 245.9365 3.343702 615.2119       16.72253  604.5739       
23.49951  626.1254       23.80184  243.7563 4.740797 248.0638 4.718411 
-4.307465      6.688689 
1 1 1 -6  13 3  o 353.5240 3.858668 1271.365       27.74008  1232.496       
38.42146  1313.689       40.09267  347.9952 5.429368 359.2711 5.487713 
-11.27588      7.719652 
1 1 1 -6  13 4  o 356.8469 3.901919 1295.376       28.31468  1292.439       
40.04301  1298.313       40.04300  356.3552 5.525762 357.1649 5.513233 
-0.8096924     7.805753 
1 1 1 -6  13 5  o 180.8767 3.400318 332.7639       12.50701  324.9050       
17.59726  340.7863       17.77931  178.6964 4.842593 183.0133 4.777282 
-4.316910      6.802436 
1 1 1 -6  13 6  o 486.2218 4.740130 2405.223       46.86797  2367.182       
65.50542  2445.120       67.08547  482.2165 6.680112 490.0860 6.731390 
-7.869476      9.483434 
1 1 1 -6  13 7  o 530.9828 7.165035 2870.303       77.36600  0.000000       
0.000000  2870.303       77.36600  ?        ?        530.9828 7.165035 
0.000000       7.165035 
1 1 1 -6  13 8  o 198.2200 3.833861 399.6241       15.45380  404.4763       
21.94699  394.8524       21.76409  199.3888 5.412809 197.0020 5.432734 
2.386795       7.668970 
1 1 1 -6  13 9  o 537.1338 6.056228 2935.545       66.15096  3023.457       
82.47997  2777.036       110.7516  545.0207 7.441904 522.0737 10.43198 
22.94696       12.81437 
1 1 1 -6  13 10 f 553.3538 5.337703 3114.989       60.06324  3053.697       
83.59258  3180.405       86.35947  547.7417 7.504824 558.9827 7.597315 
-11.24103      10.67903 
1 1 1 -6  13 11 o 256.6765 4.190834 670.1096       21.87449  684.7254       
31.08597  655.7739       30.78660  259.4161 5.892724 253.8705 5.963458 
5.545639       8.383736 
1 1 1 -6  13 12 o 324.0613 8.795030 1069.735       57.95834  0.000000       
0.000000  1069.735       57.95834  ?        ?        324.0613 8.795030 
0.000000       8.795030 
1 1 1 -6  13 13 o 253.7682 6.505318 655.6064       33.57045  655.6064       
33.57045  0.000000       0.000000  253.7682 6.505318 ?        ?        
0.000000       6.505318 
1 1 1 -6  13 14 o 115.0862 9.660134 136.1048       22.39863  0.000000       
0.000000  136.1048       22.39863  ?        ?        115.0862 9.660134 
0.000000       9.660134 
1 1 1 -6  13 15 o 442.1808 5.734950 1991.415       51.56808  2022.585       
64.04363  1933.944       86.96130  445.4307 7.070406 435.0361 9.829905 
10.39459       12.10858 
1 1 1 -6  13 16 o 302.1068 5.318455 929.7228       32.67363  928.4830       
40.49847  932.0347       55.30004  301.7533 6.599868 301.9565 9.005950 
-0.2032471     11.16537 
1 1 1 -6  13 17 o 135.5142 6.909093 187.9196       18.97636  226.2435       
23.79221  120.9159       31.45929  148.5882 7.902472 107.1450 14.83678 
41.44318       16.81009 
1 1 1 -6  13 18 o 59.95102 13.50734 38.59900       16.07217  23.76982       
19.71696  67.96487       27.74615  49.23777 16.60780 79.12782 17.68786 
-29.89005      24.26271 
1 1 1 -6  13 19 o 203.8615 7.544544 425.1489       31.27661  425.1489       
31.27661  0.000000       0.000000  203.8615 7.544544 ?        ?        
0.000000       7.544544 
1 1 1 -6  13 20 o 72.12118 15.80615 56.50840       22.54151  73.45479       
34.71899  44.15943       29.63766  81.32027 20.88567 64.37767 20.27904 
16.94260       29.11101 
1 1 1 -6  13 21 o 144.9463 7.809837 215.9944       22.93480  194.1074       
28.80326  253.9121       37.91134  136.7813 10.43403 156.0620 12.03897 
-19.28078      15.93129 
1 1 1 -6  13 22 o 73.85953 14.42126 59.04500       20.88295  47.19973       
26.54067  78.29774       33.83653  65.50217 18.88650 83.61904 20.13889 
-18.11687      27.60933 
1 1 1 -6  13 23 o 39.34426 16.15910 6.839242       20.72962  0.8557801      
25.97178  17.34180       34.40908  40.61397 17.45580 52.12540 21.03699 
-11.51143      27.33606 
1 1 1 -6  13 24 o 135.8110 9.006887 192.4932       24.73374  214.3270       
30.49609  150.5236       42.28118  142.6524 10.58822 115.2204 18.68538 
27.43200       21.47682 
1 1 1 -6  13 25 o 94.72546 15.66008 101.7992       29.11155  64.00843       
44.01624  131.1832       38.81284  71.04463 24.78605 105.5654 18.76786 
-34.52081      31.08988 
1 1 1 -6  14 1  o 445.7371 5.130755 2021.685       46.50626  1963.676       
80.24622  2051.022       57.06706  438.9459 8.990051 448.8757 6.251842 
-9.929810      10.95018 
1 1 1 -6  14 2  o 200.6422 3.836669 409.5056       15.65410  399.4326       
28.66117  413.7879       18.68768  198.0513 7.116472 201.6701 4.556827 
-3.618759      8.450376 
1 1 1 -6  14 3  o 288.7523 3.541969 848.0850       20.79801  836.7772       
29.12985  859.8432       29.70421  286.7664 4.995265 290.6906 5.024995 
-3.924194      7.085425 
1 1 1 -6  14 4  o 57.87729 5.375978 34.38209       6.254995  32.85889       
8.582476  36.10778       9.135170  56.27807 7.701402 59.02836 7.801508 
-2.750290      10.96244 
1 1 1 -6  14 5  o 180.8517 3.397480 332.6658       12.49484  316.1825       
17.35863  350.3887       17.99954  176.2846 4.842279 185.5773 4.769635 
-9.292709      6.796844 
1 1 1 -6  14 6  o 264.4025 5.120746 711.2957       27.53279  711.2957       
27.53279  0.000000       0.000000  264.4025 5.120746 ?        ?        
0.000000       5.120746 
1 1 1 -6  14 7  o 461.0531 4.632280 2162.414       43.43074  2184.271       
61.95287  2141.293       60.90131  463.2607 6.576344 458.6837 6.529229 
4.576996       9.267099 
1 1 1 -6  14 8  o 138.9845 4.201780 196.4765       11.87547  214.6335       
17.27665  180.2140       16.35051  145.2399 5.849544 133.0827 6.041690 
12.15729       8.409470 
1 1 1 -6  14 9  o 304.2770 4.708246 941.7639       29.13263  967.0015       
35.82531  892.4946       50.05570  308.2965 5.714392 296.0792 8.313696 
12.21725       10.08820 
1 1 1 -6  14 10 o 803.6667 7.071177 6573.373       115.5631  6486.215       
161.4572  6664.928       165.4788  797.9477 9.950196 808.8488 10.06059 
-10.90112      14.14998 
1 1 1 -6  14 11 o 449.6673 4.809463 2056.920       43.97838  2087.061       
62.73567  2027.796       61.66772  452.8380 6.812716 446.3635 6.793880 
6.474518       9.621325 
1 1 1 -6  14 12 o 331.7342 5.106172 1119.673       34.44587  1129.744       
42.58843  1100.624       58.57418  333.1655 6.286084 328.6873 8.763386 
4.478271       10.78479 
1 1 1 -6  14 13 o 516.4277 5.317266 2714.157       55.84052  2641.583       
77.35864  2793.112       80.68732  509.2515 7.470078 523.6403 7.577410 
-14.38876      10.64045 
1 1 1 -6  14 14 o 152.5463 6.391451 237.0152       19.82680  248.9453       
36.96906  232.1983       23.49084  155.5805 11.77223 150.7350 7.689167 
4.845444       14.06089 
1 1 1 -6  14 15 o 99.10957 7.428761 100.7383       14.86320  101.8266       
21.56117  99.75275       20.51716  99.16682 10.87003 98.20966 10.43311 
0.9571533      15.06676 
1 1 1 -6  14 16 o 233.3618 4.716994 554.5688       22.38445  555.1203       
31.71868  554.0217       31.59447  233.2951 6.685873 233.0663 6.666229 
0.2288208      9.441372 
1 1 1 -6  14 17 o 128.0434 6.253477 167.2496       16.28284  162.8930       
22.63482  171.9221       23.44118  125.8445 8.902315 129.2910 8.971299 
-3.446510      12.63865 
1 1 1 -6  14 18 o 86.37167 8.749045 77.18030       15.15479  67.66451       
21.33880  86.86436       21.52665  79.80006 13.63968 91.06344 11.91007 
-11.26338      18.10775 
1 1 1 -6  14 19 o 255.3697 4.950573 664.8876       25.70847  652.3662       
35.71385  678.3539       37.03676  252.6185 6.952166 257.5772 7.070892 
-4.958694      9.916155 
1 1 1 -6  14 20 o 273.2792 5.957806 762.7769       33.10887  793.3341       
58.20714  748.1614       40.25550  277.4519 10.31661 270.3373 7.322642 
7.114594       12.65123 
1 1 1 -6  14 21 o 281.1892 5.999952 807.9698       34.30819  817.5588       
43.10780  791.4017       56.66394  282.4545 7.505089 277.0407 10.05800 
5.413818       12.54949 
1 1 1 -6  14 22 o 60.79119 15.17042 40.43881       18.69370  55.47320       
26.96350  26.52418       25.93996  70.65273 18.53574 52.90840 18.97441 
17.74432       26.52549 
1 1 1 -6  14 23 o 160.2688 10.01796 267.5824       32.48595  267.5824       
32.48595  0.000000       0.000000  160.2688 10.01796 ?        ?        
0.000000       10.01796 
1 1 1 -6  14 24 o 79.14886 12.65932 68.07110       19.68876  81.12480       
27.95998  55.23158       27.72966  84.69709 16.82677 68.92999 19.11521 
15.76711       25.46628 
1 1 1 -6  14 25 o 39.28324 16.11117 9.168387       20.57047  28.40518       
35.21348  -0.7967036     25.34447  54.34138 21.49759 38.29800 16.83906 
16.04338       27.30751 
1 1 1 -6  15 1  f 382.6864 4.043130 1489.715       31.46387  1505.334       
65.43716  1485.019       35.88423  384.4028 8.371176 382.0564 4.618752 
2.346375       9.560829 
1 1 1 -6  15 2  o 270.1805 3.440610 742.4653       18.90344  755.0192       
26.97271  730.3469       26.50055  272.4090 4.869133 267.9214 4.864029 
4.487640       6.882386 
1 1 1 -6  15 3  o 106.6161 3.544868 115.6176       7.685535  106.7274       
10.72438  125.0041       11.01960  102.2834 5.172842 110.8413 4.888919 
-8.557961      7.117571 
1 1 1 -6  15 4  o 514.3552 4.877550 2691.773       51.01717  2771.884       
73.93249  2618.951       70.48897  521.7714 6.967927 507.1865 6.834426 
14.58487       9.760194 
1 1 1 -6  15 5  f 192.2438 4.044248 375.9388       15.81035  350.6900       
28.47432  387.1926       19.01005  185.5747 7.545415 195.0827 4.791958 
-9.508011      8.938465 
1 1 1 -6  15 6  o 505.3510 5.658304 2598.661       58.14746  2692.270       
105.0254  2557.283       69.82597  513.9368 10.04924 501.2196 6.850740 
12.71713       12.16223 
1 1 1 -6  15 7  o 507.7537 5.727032 2623.264       59.13358  2569.627       
102.2513  2650.218       72.48425  502.1624 10.01321 510.2655 6.985476 
-8.103149      12.20906 
1 1 1 -6  15 8  o 121.1901 5.309960 149.4175       13.08609  128.1714       
24.17355  158.2246       15.56378  111.6292 10.78332 124.6988 6.137640 
-13.06956      12.40768 
1 1 1 -6  15 9  o 302.4737 8.165889 931.4370       50.22761  0.000000       
0.000000  931.4370       50.22761  ?        ?        302.4737 8.165889 
0.000000       8.165889 
1 1 1 -6  15 10 o 369.3771 4.351044 1387.795       32.68246  1389.603       
46.40387  1386.016       46.03827  369.5468 6.174949 369.0714 6.134190 
0.4753723      8.703923 
1 1 1 -6  15 11 o 724.2693 6.554437 5338.840       96.53547  5523.084       
140.5190  5174.166       132.8473  736.2822 9.385109 712.6786 9.166587 
23.60364       13.11894 
1 1 1 -6  15 12 o 509.1017 5.252445 2637.309       54.37729  2567.356       
75.04822  2714.624       78.89835  502.1216 7.349876 516.3046 7.514679 
-14.18298      10.51147 
1 1 1 -6  15 13 o 290.9473 4.476155 861.2981       26.48323  823.2084       
37.09416  900.8979       37.82233  284.3365 6.415367 297.4618 6.252673 
-13.12524      8.958396 
1 1 1 -6  15 14 o 357.4963 5.335808 1301.163       38.79031  1249.421       
66.44700  1327.913       47.77642  349.8455 9.340017 361.0377 6.507432 
-11.19226      11.38344 
1 1 1 -6  15 15 o 389.6057 4.777235 1545.474       37.84890  1543.618       
53.45292  1547.341       53.60026  389.1078 6.755383 389.5751 6.765879 
-0.4673157     9.560979 
1 1 1 -6  15 16 o 46.42657 13.78765 22.53123       13.96364  30.46818       
19.61096  14.36922       19.88706  54.02270 16.40710 43.47960 16.43311 
10.54309       23.22155 
1 1 1 -6  15 17 o 186.1204 5.095566 353.0245       19.28581  334.3558       
26.57363  373.8007       28.03340  180.9235 7.222780 191.3001 7.206248 
-10.37659      10.20287 
1 1 1 -6  15 18 o 87.31356 8.877169 78.91984       15.54265  77.07169       
21.00547  81.15600       23.10556  85.54642 12.43920 87.59802 13.39668 
-2.051598      18.28127 
1 1 1 -6  15 19 o 109.4010 7.396018 123.0163       16.35731  118.1781       
23.04034  127.9330       23.22625  106.5687 10.78009 111.0031 10.41110 
-4.434326      14.98671 
1 1 1 -6  15 20 o 122.4347 8.904070 154.7996       22.01711  122.3506       
36.33539  173.6262       27.67674  106.3724 17.39939 129.2999 10.61987 
-22.92749      20.38431 
1 1 1 -6  15 21 o 96.70376 10.95296 97.89272       21.15922  84.96929       
26.63484  120.0018       34.83743  88.79237 15.30359 105.3635 16.82545 
-16.57112      22.74413 
1 1 1 -6  15 22 o 107.1566 9.281400 119.2867       20.02505  111.9046       
28.68632  126.3032       27.96678  102.3288 14.16550 109.2676 12.83052 
-6.938774      19.11240 
1 1 1 -6  15 23 o 108.3870 9.210521 122.4971       20.10845  147.7243       
28.54257  97.63744       28.33387  118.1109 12.05257 94.59517 15.24777 
23.51578       19.43602 
1 1 1 -6  15 24 o 81.54064 14.41497 73.67097       23.02795  71.70644       
28.38142  77.45620       39.39586  78.72742 18.10559 79.55070 23.03140 
-0.8232880     29.29604 
1 1 1 -6  15 25 o 92.24052 12.38806 93.51226       22.64947  106.5775       
40.62595  87.61983       27.28296  91.75592 22.04753 87.17674 15.97889 
4.579178       27.22900 
1 1 1 -6  16 1  o 311.6243 4.293868 987.8562       27.21018  970.6389       
48.72934  995.6569       32.80011  308.7278 7.761816 312.8189 5.156213 
-4.091064      9.318386 
1 1 1 -6  16 2  o 253.4513 3.372036 653.3483       17.37954  697.2317       
25.33023  614.3142       23.88973  261.7847 4.758209 245.7252 4.780904 
16.05949       6.745191 
1 1 1 -6  16 3  o 56.29726 5.010233 32.50267       5.675883  36.65078       
7.896530  28.06882       8.163971  59.63667 6.623230 51.89458 7.992765 
7.742088       10.38034 
1 1 1 -6  16 4  o 617.0461 5.583612 3874.526       70.06229  3856.548       
98.67902  3892.801       99.49206  615.3579 7.885797 618.2398 7.913708 
-2.881897      11.17196 
1 1 1 -6  16 5  o 357.4705 3.942636 1299.787       28.66014  1293.005       
40.46251  1306.617       40.60097  356.4663 5.581911 358.3382 5.571753 
-1.871918      7.886835 
1 1 1 -6  16 6  o 178.0920 3.574054 322.5813       12.94366  290.8865       
17.89848  357.3293       18.74075  169.0886 5.205354 187.4138 4.917381 
-18.32523      7.160751 
1 1 1 -6  16 7  o 284.2469 3.791172 821.7606       21.91395  812.1307       
30.92091  831.4784       31.06158  282.5327 5.381856 285.8796 5.343046 
-3.346924      7.583701 
1 1 1 -6  16 8  o 244.0555 3.808281 605.7926       18.90032  564.7814       
26.25727  649.8898       27.22727  235.6133 5.480227 252.7481 5.297425 
-17.13486      7.622047 
1 1 1 -6  16 9  o 460.7724 5.498240 2160.001       51.51831  2097.750       
61.56206  2305.478       94.10944  454.0202 6.667861 475.7334 9.727878 
-21.71320      11.79373 
1 1 1 -6  16 10 o 357.3227 4.313064 1298.714       31.33992  1258.855       
43.65836  1341.089       45.01548  351.7273 6.103937 363.0341 6.097658 
-11.30679      8.627831 
1 1 1 -6  16 11 o 302.7344 4.293431 932.2717       26.43125  902.0886       
36.93017  963.9694       37.84550  297.7245 6.099796 307.7692 6.046968 
-10.04462      8.589140 
1 1 1 -6  16 12 o 478.6314 7.101589 2332.815       69.12070  0.000000       
0.000000  2332.815       69.12070  ?        ?        478.6314 7.101589 
0.000000       7.101589 
1 1 1 -6  16 13 o 333.8546 5.285161 1134.484       35.88120  1179.637       
65.94280  1115.493       42.76645  340.0255 9.536839 330.9699 6.354235 
9.055603       11.45983 
1 1 1 -6  16 14 o 190.4148 5.714550 369.2578       22.12759  310.2697       
38.40585  398.5687       27.07259  173.8330 10.92008 197.7655 6.731748 
-23.93248      12.82828 
1 1 1 -6  16 15 o 141.8737 6.631257 205.2323       19.13151  291.1801       
36.07521  171.6019       22.56617  168.2975 10.59503 129.3203 8.630610 
38.97728       13.66536 
1 1 1 -6  16 16 o 203.5787 5.655234 422.4516       23.41177  444.1697       
41.33314  412.1924       28.40823  208.2296 9.761227 200.9628 6.951479 
7.266891       11.98351 
1 1 1 -6  16 17 o 274.8982 5.404542 770.4423       30.21219  701.7943       
50.54823  808.5952       37.68389  261.6278 9.501027 281.4385 6.584470 
-19.81067      11.55962 
1 1 1 -6  16 18 o 167.3738 6.353540 286.0553       21.62493  283.9710       
36.80589  287.1542       26.72399  165.7130 10.98445 167.5079 7.845392 
-1.794815      13.49846 
1 1 1 -6  16 19 o 222.9723 5.905308 507.6497       26.77595  488.0215       
45.95732  517.7365       32.94528  217.6586 10.38311 224.9449 7.202209 
-7.286209      12.63648 
1 1 1 -6  16 20 o 271.9792 7.289459 757.6107       40.31646  0.000000       
0.000000  757.6107       40.31646  ?        ?        271.9792 7.289459 
0.000000       7.289459 
1 1 1 -6  16 21 o 61.78772 18.62620 41.41488       25.34351  36.41359       
38.92291  45.09574       33.39178  62.60202 23.12417 65.25830 21.60613 
-2.656281      31.64731 
1 1 1 -6  16 22 o 71.97707 16.05845 57.05495       22.90729  66.25900       
42.03051  53.16568       27.32178  76.53056 24.15403 68.99760 18.91047 
7.532959       30.67610 
1 1 1 -6  16 23 o 144.3041 8.721840 216.2323       25.47374  155.7728       
43.66655  247.4226       31.36362  117.8728 18.85263 153.8723 10.07908 
-35.99950      21.37778 
1 1 1 -6  16 24 o 45.88390 18.52682 14.74166       26.70119  21.18035       
36.23612  7.092165       39.49658  52.82164 21.49101 49.48905 21.39842 
3.332596       30.32748 
1 1 1 -6  16 25 f 97.90836 11.56074 104.5317       22.57338  87.11134       
40.94878  112.1365       27.05556  81.17683 23.47481 100.1860 13.63410 
-19.00921      27.14692 
1 1 1 -6  17 1  o 47.45528 6.030903 23.28673       5.688491  14.10894       
16.76501  24.48084       6.047239  41.52245 15.20200 48.64510 6.258315 
-7.122650      16.43981 
1 1 1 -6  17 2  o 185.7392 3.211009 350.8669       12.12820  351.6971       
17.17113  350.0405       17.13268  185.9344 4.541378 185.4959 4.541918 
0.4384460      6.422861 
1 1 1 -6  17 3  o 132.0036 4.727304 177.2729       12.68969  0.000000       
0.000000  177.2729       12.68969  ?        ?        132.0036 4.727304 
0.000000       4.727304 
1 1 1 -6  17 4  o 216.7486 4.739535 477.9452       20.89025  477.9452       
20.89025  0.000000       0.000000  216.7486 4.739535 ?        ?        
0.000000       4.739535 
1 1 1 -6  17 5  o 480.9870 4.689465 2353.505       45.86782  2296.645       
63.79568  2414.351       65.99395  475.0192 6.604328 487.0353 6.663344 
-12.01611      9.381754 
1 1 1 -6  17 6  o 551.4162 5.184939 3093.421       58.13994  3186.046       
84.31203  3009.441       80.28063  559.4372 7.411170 543.7244 7.260734 
15.71277       10.37515 
1 1 1 -6  17 7  o 568.9847 5.326576 3293.661       61.63113  3293.888       
87.20180  3293.435       87.11744  568.8362 7.538533 568.7975 7.531751 
0.3863525E-01  10.65630 
1 1 1 -6  17 8  o 659.7326 5.987342 4428.649       80.32550  4428.628       
113.6237  4428.671       113.5712  659.4921 8.472425 659.4958 8.468465 
-0.3662109E-02 11.97902 
1 1 1 -6  17 9  o 125.9199 5.554272 161.3195       14.22241  162.9711       
17.24741  157.8103       25.14124  126.3647 6.736232 124.0480 10.05302 
2.316620       12.10124 
1 1 1 -6  17 10 o 309.1128 4.161026 971.9114       26.15585  952.5856       
36.49209  992.3291       37.50877  305.9646 5.865110 312.2803 5.906591 
-6.315704      8.323901 
1 1 1 -6  17 11 o 225.2525 4.943666 516.2324       22.64489  505.9114       
27.82603  536.4716       38.96620  222.9499 6.137516 229.4864 8.349871 
-6.536469      10.36289 
1 1 1 -6  17 12 o 303.6638 4.348691 938.1595       26.85363  889.7706       
37.30296  990.2097       38.68846  295.6341 6.204938 311.8805 6.100168 
-16.24640      8.701339 
1 1 1 -6  17 13 o 518.1146 6.096296 2733.705       64.23080  2716.439       
110.3413  2742.554       78.99401  515.6795 10.52220 518.7463 7.488377 
-3.066833      12.91482 
1 1 1 -6  17 14 o 370.5550 5.394283 1398.346       40.64787  1346.589       
69.62975  1425.103       50.06402  363.0422 9.431621 373.9385 6.583762 
-10.89633      11.50223 
1 1 1 -6  17 15 o 87.30241 8.034511 78.48927       14.10379  81.78044       
20.19122  75.35340       19.70907  88.56413 11.48143 84.90823 11.72778 
3.655899       16.41231 
1 1 1 -6  17 16 o 243.9187 4.661284 606.0378       23.12076  608.1501       
33.04944  604.0131       32.35694  244.1134 6.657652 243.2974 6.540012 
0.8160095      9.332528 
1 1 1 -6  17 17 o 132.7460 6.002779 179.7984       16.20411  208.7035       
22.82912  150.4488       23.00403  142.6214 7.902295 120.7595 9.442820 
21.86183       12.31313 
1 1 1 -6  17 18 o 209.4483 5.014566 447.2881       21.35806  476.2458       
30.57701  419.6984       29.84596  215.8424 6.966374 202.5792 7.245015 
13.26323       10.05090 
1 1 1 -6  17 19 o 51.06628 14.18780 28.01302       15.26128  40.70262       
21.08958  14.06306       22.11212  61.17456 16.55142 44.39931 17.18962 
16.77524       23.86279 
1 1 1 -6  17 20 f 114.8521 9.119674 136.5315       21.12423  197.9598       
36.46980  105.5167       25.91397  137.2453 13.23116 99.87738 13.07275 
37.36797       18.60001 
1 1 1 -6  17 21 o 45.14451 16.46682 18.12501       19.64464  9.364821       
25.05923  32.09164       31.64147  43.80241 17.85234 58.00611 20.93806 
-14.20370      27.51561 
1 1 1 -6  17 22 o 70.09388 13.78191 53.36087       18.94431  71.64983       
27.77074  37.44226       25.90869  80.27867 17.50465 59.01271 19.00022 
21.26596       25.83449 
1 1 1 -6  17 23 o 60.97996 15.32411 41.50289       18.97987  47.03552       
27.33008  36.34887       26.37838  64.36756 19.32862 57.81541 19.20650 
6.552151       27.24858 
1 1 1 -6  17 24 o 42.55501 16.70518 14.33761       21.11038  6.744848       
25.78745  29.76403       36.75708  41.78569 17.65501 56.06281 22.03183 
-14.27712      28.23298 
1 1 1 -6  17 25 o 70.43530 13.35734 56.14092       18.43199  87.95997       
28.22192  32.47277       24.34025  86.43011 16.66125 53.04261 18.43578 
33.38749       24.84905 
1 1 1 -6  18 1  o 600.7556 5.466219 3672.144       66.77844  3692.911       
137.0955  3665.684       76.46246  601.7813 11.20297 600.1613 6.265112 
1.619995       12.83582 
1 1 1 -6  18 2  o 370.6502 3.953916 1397.375       29.80184  1452.840       
43.22028  1347.101       41.14836  377.8620 5.624747 363.8548 5.561258 
14.00723       7.909827 
1 1 1 -6  18 3  o 641.3879 5.749995 4186.098       74.99627  4091.399       
103.9626  4288.846       108.2913  633.8472 8.065683 648.9436 8.206066 
-15.09644      11.50629 
1 1 1 -6  18 4  o 557.1733 5.170671 3158.469       58.58529  3207.451       
83.84138  3111.732       81.89706  561.2965 7.345387 552.8636 7.284485 
8.432861       10.34497 
1 1 1 -6  18 5  o 415.9482 4.289109 1759.871       36.27921  1781.838       
51.82092  1738.755       50.80720  418.4476 6.089933 413.3604 6.044285 
5.087189       8.580249 
1 1 1 -6  18 6  o 295.0188 3.745962 885.2224       22.47318  883.3651       
31.76165  887.0843       31.80213  294.6644 5.300588 295.2842 5.296202 
-0.6198120     7.493062 
1 1 1 -6  18 7  o 311.6865 3.875168 988.0823       24.56178  980.4620       
34.55256  995.8661       34.92160  310.4341 5.473427 312.8627 5.488946 
-2.428589      7.751576 
1 1 1 -6  18 8  o 425.8447 4.492560 1844.617       38.90421  1872.419       
55.68051  1818.099       54.38025  428.9501 6.383296 422.6855 6.326630 
6.264648       8.987365 
1 1 1 -6  18 9  f 46.85694 12.32297 23.20823       11.89867  20.18874       
14.18270  30.38451       21.86458  44.72223 14.01869 54.97174 17.42882 
-10.24951      22.36711 
1 1 1 -6  18 10 o 266.6947 4.133968 723.4934       22.41986  709.2668       
31.50241  738.0947       31.91455  264.0027 5.867917 269.3160 5.827403 
-5.313293      8.269889 
1 1 1 -6  18 11 o 291.8308 4.881650 866.5381       28.97005  842.1309       
35.28820  916.9922       50.73636  287.6385 6.032968 300.0070 8.316420 
-12.36850      10.27422 
1 1 1 -6  18 12 o 112.6258 6.310084 129.5623       14.39371  119.7545       
20.38286  139.3182       20.32880  107.9512 9.378284 116.5812 8.636387 
-8.629997      12.74909 
1 1 1 -6  18 13 o 189.9696 5.432319 367.4393       20.98557  348.9273       
34.82355  377.9957       26.29692  184.6462 9.304192 192.6095 6.713913 
-7.963348      11.47365 
1 1 1 -6  18 14 o 486.2637 5.971126 2409.280       59.04450  2559.056       
107.4208  2344.440       70.67888  500.0217 10.56448 479.4347 7.249512 
20.58704       12.81264 
1 1 1 -6  18 15 o 195.7767 4.899104 390.4051       19.50425  423.5224       
27.87517  358.6399       27.30016  203.7513 6.727688 187.4540 7.161747 
16.29724       9.826108 
1 1 1 -6  18 16 o 81.63182 8.712597 68.97118       14.23957  64.14901       
19.68834  74.26025       20.61949  77.87127 12.88363 84.01353 12.44564 
-6.142258      17.91317 
1 1 1 -6  18 17 o 246.8246 4.704910 620.8443       23.61518  626.5300       
33.31807  615.1045       33.47630  247.6785 6.615156 245.3942 6.708442 
2.284317       9.421437 
1 1 1 -6  18 18 o 142.3828 6.150194 207.0392       17.80729  192.1757       
24.24702  224.4428       26.23716  136.5917 8.775816 147.6561 8.777557 
-11.06441      12.41211 
1 1 1 -6  18 19 o 71.70641 11.22507 54.36644       15.83115  51.31647       
21.88252  57.71585       22.93156  68.57094 15.98752 72.78833 15.93440 
-4.217392      22.57224 
1 1 1 -6  18 20 o 212.2910 6.353404 460.9680       27.42771  463.4416       
46.22071  459.6236       34.07583  211.4210 10.78659 211.6340 7.917891 
-0.2130432     13.38071 
1 1 1 -6  18 21 o 255.8756 6.127681 669.7742       31.88427  678.6643       
40.32656  654.9492       52.07585  257.1118 7.712903 251.6868 10.17477 
5.424957       12.76772 
1 1 1 -6  18 22 o 82.60213 11.66884 72.53696       19.05492  59.00386       
27.58742  84.88377       26.35057  72.36755 18.63423 88.25831 15.23241 
-15.89075      24.06783 
1 1 1 -6  18 23 f 86.88129 11.34710 80.58169       19.56876  85.43990       
27.73646  75.76672       27.61276  87.51432 16.18152 81.87997 17.13386 
5.634346       23.56715 
1 1 1 -6  18 24 o 97.81976 11.91544 103.7940       23.21245  88.61720       
27.72158  139.3997       42.46083  88.10416 16.06476 108.0227 20.06831 
-19.91856      25.70630 
1 1 1 -6  19 1  o 511.5814 5.553918 2662.899       57.77842  2767.001       
107.1096  2620.175       68.61811  521.0641 10.10848 507.3839 6.650445 
13.68021       12.09999 
1 1 1 -6  19 2  o 118.5292 4.158704 142.9044       10.02386  110.9611       
20.36816  153.1135       11.51479  103.8971 9.754660 122.6844 4.615465 
-18.78735      10.79147 
1 1 1 -6  19 3  o 368.0501 3.950265 1377.817       29.56546  1326.020       
40.71875  1435.576       42.99804  361.0025 5.546676 375.6156 5.629291 
-14.61307      7.902818 
1 1 1 -6  19 4  o 339.4151 3.826378 1171.733       26.41013  1202.626       
37.88496  1142.526       36.83623  343.8028 5.418837 335.1026 5.405624 
8.700165       7.654056 
1 1 1 -6  19 5  o 541.9506 5.093232 2988.064       56.13123  2975.379       
79.10288  3000.930       79.66319  540.6447 7.194969 542.9594 7.215042 
-2.314697      10.18943 
1 1 1 -6  19 6  o 614.8788 5.619672 3846.755       70.26709  3912.518       
100.8350  3784.673       97.97218  619.8972 7.999084 609.6953 7.902027 
10.20190       11.24399 
1 1 1 -6  19 7  o 334.2196 3.980710 1136.140       27.05477  1151.851       
38.56339  1120.911       37.96606  336.4656 5.636157 331.9164 5.624907 
4.549194       7.962779 
1 1 1 -6  19 8  o 360.9050 4.876395 1325.052       35.78848  1274.643       
61.97314  1350.274       43.83682  353.7787 8.614309 364.2789 5.917708 
-10.50024      10.45110 
1 1 1 -6  19 9  o 151.5951 5.186974 233.8131       15.99008  221.7591       
19.10236  262.0321       29.22749  147.6119 6.363765 160.1268 9.012507 
-12.51495      11.03281 
1 1 1 -6  19 10 f 269.5599 4.137493 739.1536       22.68004  778.5573       
32.97593  703.7823       31.24302  276.5865 5.862928 262.9701 5.842453 
13.61646       8.276968 
1 1 1 -6  19 11 o 276.4728 4.901410 777.7945       27.55655  787.7059       
34.20154  759.4546       46.52393  278.1721 6.046173 272.9892 8.380686 
5.182983       10.33403 
1 1 1 -6  19 12 o 282.2438 4.341961 810.5871       24.92079  849.8121       
36.00686  774.5214       34.52637  288.8834 6.129305 275.7877 6.156367 
13.09567       8.687304 
1 1 1 -6  19 13 o 751.5118 7.847245 5760.564       119.9235  5864.232       
210.4536  5710.716       145.9350  755.8103 13.69280 747.6685 9.598401 
8.141846       16.72190 
1 1 1 -6  19 14 o 143.5576 6.464730 210.1143       18.87244  219.8276       
34.09811  205.8248       22.65964  145.9542 11.58367 141.7732 7.890985 
4.181061       14.01603 
1 1 1 -6  19 15 o 357.4521 4.644211 1301.385       33.75835  1359.284       
48.77671  1248.153       46.76955  365.0023 6.571515 349.7627 6.575644 
15.23962       9.296445 
1 1 1 -6  19 16 o 65.12131 10.69687 44.69136       13.67349  54.76505       
19.43027  34.80834       19.24552  71.58187 13.84898 57.00444 15.96630 
14.57743       21.13568 
1 1 1 -6  19 17 o 139.8436 8.398935 201.0623       23.77392  0.000000       
0.000000  201.0623       23.77392  ?        ?        139.8436 8.398935 
0.000000       8.398935 
1 1 1 -6  19 18 o 174.8219 6.321904 312.2829       22.47477  316.9579       
27.40592  302.6826       39.27347  175.9237 7.660702 170.8208 11.37092 
5.102951       13.71073 
1 1 1 -6  19 19 o 354.8734 4.978377 1284.921       35.92632  1297.152       
50.78849  1272.672       50.82652  355.9503 7.016563 352.5503 7.089537 
3.400085       9.974652 
1 1 1 -6  19 20 o 183.0716 5.935724 342.6209       22.09766  329.7317       
31.23621  355.5342       31.26542  179.0699 8.577967 186.0190 8.265242 
-6.949081      11.91200 
1 1 1 -6  19 21 o 39.29415 15.66210 9.214685       18.82098  2.155912       
25.29027  17.97678       28.17687  40.79097 17.36987 49.48703 19.33577 
-8.696056      25.99201 
1 1 1 -6  19 22 o 41.07052 15.64346 13.46502       18.10996  20.24576       
25.43094  6.488392       25.79565  48.85349 18.55443 42.63435 17.81369 
6.219135       25.72148 
1 1 1 -6  19 23 o 93.57374 10.05948 92.58658       18.84113  118.0635       
27.18910  69.05037       26.13302  104.5120 13.07957 77.94378 16.96888 
26.56827       21.42471 
1 1 1 -6  19 24 o 43.37467 16.48286 17.31501       20.07640  37.85458       
24.83690  -21.40492      34.10115  56.96990 18.62306 38.23495 17.83879 
18.73495       25.78838 
1 1 1 -6  20 1  o 322.5879 4.408882 1058.541       28.92198  1103.968       
53.84078  1040.116       34.28927  329.2695 8.040969 319.7379 5.273667 
9.531647       9.616067 
1 1 1 -6  20 2  o 84.02997 12.28944 73.54933       20.37918  73.54933       
20.37918  0.000000       0.000000  84.02997 12.28944 ?        ?        
0.000000       12.28944 
1 1 1 -6  20 3  o 154.0858 3.206807 241.4616       10.04817  230.0430       
13.97908  253.6681       14.45329  150.3803 4.571264 157.9147 4.500833 
-7.534393      6.415134 
1 1 1 -6  20 4  o 404.9140 4.188701 1667.700       34.49004  1653.542       
48.51914  1682.161       49.03754  403.1127 5.918821 406.5856 5.930964 
-3.472870      8.379067 
1 1 1 -6  20 5  o 388.1673 4.136969 1532.581       32.65522  1526.496       
46.09639  1538.711       46.26700  387.3227 5.852516 388.8694 5.850812 
-1.546692      8.275503 
1 1 1 -6  20 6  o 149.9740 3.784114 228.7651       11.54069  241.1992       
16.30985  216.2970       16.33217  153.9742 5.208953 145.8042 5.508360 
8.170013       7.581242 
1 1 1 -6  20 7  o 322.0332 3.933913 1054.805       25.76184  1083.569       
37.01095  1027.770       35.88081  326.3378 5.577137 317.8253 5.551653 
8.512543       7.869264 
1 1 1 -6  20 8  o 374.4839 4.952218 1426.716       37.71242  1376.154       
65.33740  1451.976       46.18188  367.5649 8.741306 377.7331 6.012223 
-10.16818      10.60930 
1 1 1 -6  20 9  o 136.6539 5.518011 190.0250       15.33402  198.6571       
18.71749  172.4079       26.73956  139.6997 6.588717 129.6400 10.22596 
10.05963       12.16477 
1 1 1 -6  20 10 o 348.2773 4.320597 1234.003       30.59992  1220.026       
43.21214  1248.062       43.33778  346.2000 6.138006 350.1585 6.086261 
-3.958496      8.643939 
1 1 1 -6  20 11 o 207.3362 5.086152 437.4989       21.44450  428.1592       
26.24610  456.2551       37.19387  205.0604 6.294069 211.5477 8.645926 
-6.487305      10.69427 
1 1 1 -6  20 12 o 316.6568 4.396695 1020.417       28.31174  999.4412       
39.93043  1041.623       40.14815  313.2443 6.268583 319.7947 6.173662 
-6.550446      8.798252 
1 1 1 -6  20 13 o 442.8271 5.616491 1997.430       50.57673  1932.564       
85.01867  2032.958       62.92144  434.8233 9.615016 446.5385 6.929284 
-11.71518      11.85173 
1 1 1 -6  20 14 o 302.3322 5.218720 931.1794       32.08484  969.5202       
57.61238  913.9420       38.62972  307.8644 9.202480 299.3820 6.345189 
8.482452       11.17797 
1 1 1 -6  20 15 o 130.6662 5.907340 174.1221       15.69664  189.9508       
22.39428  158.8353       22.00757  136.0548 8.131380 124.2722 8.764747 
11.78259       11.95576 
1 1 1 -6  20 16 o 104.9107 7.125487 112.9922       15.11135  148.6618       
22.01318  81.20293       20.78134  120.0846 9.081686 87.97126 11.92395 
32.11333       14.98858 
1 1 1 -6  20 17 o 123.2466 6.366654 155.5690       15.90201  141.0202       
22.16606  170.9972       22.82614  116.8112 9.411358 128.8274 8.765216 
-12.01623      12.86090 
1 1 1 -6  20 18 o 284.1917 5.624175 824.5790       32.50287  828.7709       
39.45963  815.7331       57.32158  284.6389 6.817219 281.4104 10.01674 
3.228516       12.11650 
1 1 1 -6  20 19 o 280.2154 5.011796 801.3285       28.55860  766.2007       
39.19192  841.0972       41.70062  273.5124 7.046413 286.5359 7.156688 
-13.02350      10.04341 
1 1 1 -6  20 20 o 188.5443 5.788499 363.3901       22.19375  349.1070       
31.13743  378.1399       31.64206  184.2808 8.309047 191.8399 8.111001 
-7.559097      11.61157 
1 1 1 -6  20 21 o 109.7055 9.562456 125.2975       21.11956  132.2933       
27.03048  114.3340       33.83864  112.0006 12.05816 102.2935 16.85434 
9.707138       20.72361 
1 1 1 -6  20 22 o 33.85184 14.48052 0.7750862      17.72113  -50.53243      
25.22100  50.80456       24.90490  26.70294 13.14726 67.05052 17.92153 
-40.34758      22.22683 
1 1 1 -6  20 23 o 161.2225 6.794712 268.1248       22.27657  264.5079       
31.78701  271.6155       31.22807  158.5795 9.906774 160.8706 9.589466 
-2.291077      13.78775 
1 1 1 -6  20 24 o 91.70544 11.97586 92.14252       21.80001  97.17870       
26.95657  82.62288       37.06164  92.53954 14.82520 80.33468 22.02761 
12.20486       26.55188 
1 1 1 -6  21 1  f 254.0140 7.695996 656.9465       39.75336  656.9465       
39.75336  0.000000       0.000000  254.0140 7.695996 ?        ?        
0.000000       7.695996 
1 1 1 -6  21 2  o 433.3092 5.104602 1910.193       44.97915  1872.420       
79.26108  1928.135       54.62701  428.7253 9.091372 435.2794 6.171460 
-6.554077      10.98817 
1 1 1 -6  21 3  f 449.4733 9.270233 2058.173       84.73172  0.000000       
0.000000  2058.173       84.73172  ?        ?        449.4733 9.270233 
0.000000       9.270233 
1 1 1 -6  21 4  o 32.10414 8.265056 10.89318       5.427973  11.68774       
7.143174  9.807467       8.349952  33.58633 9.831142 32.12547 10.80786 
1.460865       14.61031 
1 1 1 -6  21 5  f 488.6495 4.751376 2429.063       47.21373  2461.839       
67.44456  2397.567       66.11585  491.8074 6.743735 485.3483 6.698856 
6.459076       9.505400 
1 1 1 -6  21 6  o 284.9860 3.724479 826.0505       21.58442  834.9470       
30.69268  817.3457       30.36000  286.4709 5.268693 283.4354 5.267400 
3.035553       7.450142 
1 1 1 -6  21 7  o 218.1280 3.739462 483.9369       16.58716  509.2852       
23.84935  460.1875       23.08489  223.7319 5.242002 212.6717 5.337855 
11.06027       7.481395 
1 1 1 -6  21 8  o 488.9199 5.694237 2432.534       56.61411  2235.296       
93.93945  2545.032       70.94556  468.2888 9.864676 499.9931 6.977660 
-31.70435      12.08303 
1 1 1 -6  21 9  o 250.2020 4.665782 636.9082       23.73923  630.3344       
28.68639  651.1923       42.28563  248.8701 5.668286 252.8243 8.224747 
-3.954163      9.988791 
1 1 1 -6  21 10 o 530.4420 5.256372 2863.521       56.69901  2878.437       
80.23529  2848.643       80.13381  531.5767 7.422464 528.8146 7.451796 
2.762146       10.51771 
1 1 1 -6  21 11 o 613.5101 5.808323 3832.286       72.46427  3865.041       
103.2680  3800.513       101.7097  615.6994 8.247943 610.5494 8.192001 
5.149963       11.62486 
1 1 1 -6  21 12 o 160.6509 4.912837 262.7362       16.04970  317.7281       
23.63568  215.6829       21.86321  176.5793 6.582289 145.2536 7.426601 
31.32568       9.923756 
1 1 1 -6  21 13 o 206.0425 4.599281 432.2343       19.27073  418.3712       
27.40108  445.8017       27.10717  202.5628 6.652065 209.1219 6.374310 
-6.559097      9.213132 
1 1 1 -6  21 14 o 309.1841 5.242738 974.0620       32.96301  960.9883       
57.37099  980.5047       40.27426  306.4195 9.207136 310.0442 6.387818 
-3.624756      11.20605 
1 1 1 -6  21 15 o 325.8603 4.583150 1081.765       30.37016  1064.241       
42.56828  1099.931       43.34194  322.8950 6.482961 328.2625 6.492854 
-5.367584      9.175289 
1 1 1 -6  21 16 o 248.9403 4.628182 631.5534       23.42919  622.5051       
32.26279  641.6495       34.07954  246.8878 6.426150 250.6096 6.687204 
-3.721786      9.274379 
1 1 1 -6  21 17 o 240.0467 4.767219 587.5025       23.27085  605.7629       
32.95829  569.3489       32.86181  243.4304 6.657919 235.9637 6.848492 
7.466690       9.551426 
1 1 1 -6  21 18 o 143.0415 7.229685 210.0665       20.96149  223.5611       
25.31913  180.6663       37.37194  147.3119 8.487933 130.7567 14.28750 
16.55516       16.61859 
1 1 1 -6  21 19 o 99.54063 8.448501 102.5641       16.93988  78.82317       
23.12098  130.0768       24.88992  85.83491 13.70735 111.5223 11.12357 
-25.68736      17.65291 
1 1 1 -6  21 20 o 80.52885 10.66268 68.28764       17.03160  83.22401       
24.43034  54.16394       23.75644  88.02098 14.12652 70.00471 16.88364 
18.01627       22.01399 
1 1 1 -6  21 21 f 31.05358 14.10082 -10.16179      19.36325  11.31612       
24.53647  -45.62077      31.52675  44.09847 17.77608 32.67287 15.77111 
11.42561       23.76377 
1 1 1 -6  21 22 o 67.73959 16.04923 51.45061       21.76875  42.69012       
25.61523  74.22780       41.30324  61.60553 18.76051 78.93561 23.77457 
-17.33008      30.28510 
1 1 1 -6  21 23 o 33.90235 15.10299 -4.923736      21.04852  -15.98544      
25.06696  21.52238       38.75891  33.61814 15.55026 53.76996 22.09115 
-20.15182      27.01535 
1 1 1 -6  21 24 o 81.71678 13.31383 75.02676       21.36227  72.40919       
26.81423  79.57458       35.34425  77.77586 17.39023 78.64861 21.48884 
-0.8727417     27.64399 
1 1 1 -6  22 1  o 80.21794 13.03882 67.37228       20.53924  67.37228       
20.53924  0.000000       0.000000  80.21794 13.03882 ?        ?        
0.000000       13.03882 
1 1 1 -6  22 2  o 568.7502 7.639188 3293.589       88.35278  3163.052       
121.0137  3442.608       129.2966  556.9949 10.68395 581.0491 10.94266 
-24.05426      15.29341 
1 1 1 -6  22 3  o 525.7261 7.240464 2813.716       77.40649  2811.076       
109.6314  2816.340       109.3079  525.1500 10.26597 525.6465 10.22602 
-0.4965820     14.49005 
1 1 1 -6  22 4  o 442.7478 4.436549 1994.054       39.94415  1979.961       
56.15332  2008.489       56.83190  441.0786 6.260485 444.2428 6.291009 
-3.164185      8.875274 
1 1 1 -6  22 5  o 471.4238 4.650632 2260.836       44.58358  2307.624       
64.05479  2216.871       62.09238  476.1509 6.615392 466.6994 6.542590 
9.451508       9.304240 
1 1 1 -6  22 6  f 556.1063 5.233459 3146.510       59.18314  3154.772       
83.97723  3138.358       83.42073  556.6468 7.418745 555.2000 7.388787 
1.446838       10.47053 
1 1 1 -6  22 7  o 301.8168 3.906698 926.5755       23.97754  941.3941       
34.21692  912.2780       33.60997  304.1599 5.532067 299.4199 5.519961 
4.740051       7.814969 
1 1 1 -6  22 8  o 710.1088 7.372263 5135.075       106.4577  5227.562       
188.6030  5091.830       128.9670  715.3123 12.96587 706.8480 8.972246 
8.464294       15.76753 
1 1 1 -6  22 9  o 157.4641 9.482431 253.7500       30.22193  0.000000       
0.000000  253.7500       30.22193  ?        ?        157.4641 9.482431 
0.000000       9.482431 
1 1 1 -6  22 10 o 503.4425 5.841942 2580.364       59.80790  2585.107       
73.64045  2571.173       102.5102  503.7382 7.188861 501.9134 10.04355 
1.824768       12.35122 
1 1 1 -6  22 11 o 292.6618 6.108451 872.3632       36.35370  872.3632       
36.35370  0.000000       0.000000  292.6618 6.108451 ?        ?        
0.000000       6.108451 
1 1 1 -6  22 12 o 283.1055 4.887097 816.0367       28.13525  807.2365       
47.26405  820.8667       35.01500  281.2191 8.264846 283.8376 6.066424 
-2.618591      10.25228 
1 1 1 -6  22 13 o 217.1478 4.549296 480.1391       20.08866  495.9526       
28.86926  465.2941       27.97133  220.5334 6.437392 213.6080 6.439381 
6.925339       9.105253 
1 1 1 -6  22 14 o 380.4629 5.402521 1475.457       41.79845  1486.864       
74.11252  1470.136       50.61668  380.9210 9.567649 379.5530 6.557976 
1.367920       11.59944 
1 1 1 -6  22 15 o 134.7444 5.806510 185.2303       15.91027  197.9340       
22.33012  172.1312       22.67487  138.8622 7.940761 129.3405 8.671218 
9.521744       11.75779 
1 1 1 -6  22 16 o 138.8737 5.769255 196.8391       16.29263  194.0097       
22.24055  200.1160       23.93517  137.4050 7.994152 139.4676 8.479648 
-2.062546      11.65379 
1 1 1 -6  22 17 o 105.3950 7.328121 114.2646       15.60828  118.0863       
21.72428  110.1869       22.43999  106.5986 10.14405 102.7639 10.90480 
3.834641       14.89351 
1 1 1 -6  22 18 o 245.3848 5.736344 615.1920       28.62426  611.8882       
34.73028  622.1894       50.54459  244.4410 6.986873 245.5312 10.12317 
-1.090195      12.30020 
1 1 1 -6  22 19 o 74.72961 13.41145 60.06225       19.63182  60.76767       
22.97589  58.15413       37.78776  74.55391 15.65324 72.45720 22.90614 
2.096710       27.74374 
1 1 1 -6  22 20 o 220.0343 6.457148 495.8889       28.89233  554.2721       
35.62886  383.7607       49.37592  232.3182 7.541665 191.1537 12.77584 
41.16449       14.83572 
1 1 1 -6  22 21 o 180.0734 7.290959 333.3547       26.69842  297.9052       
32.87025  402.0850       45.76912  169.3004 9.586952 195.8462 11.54331 
-26.54582      15.00526 
1 1 1 -6  22 22 o 39.52639 15.32393 11.90636       17.59129  -9.227358      
25.12199  32.23805       24.64068  36.02362 16.23730 54.80135 18.56560 
-18.77772      24.66437 
1 1 1 -6  22 23 o 81.86943 11.29747 72.55771       18.30741  56.38064       
26.07501  88.28509       25.71004  68.95976 18.29342 88.69300 14.77459 
-19.73324      23.51463 
1 1 1 -6  22 24 o 37.83783 15.18769 10.61823       17.82850  35.31958       
24.83751  -15.63680      25.60671  54.46464 18.63868 33.38123 15.53533 
21.08341       24.26411 
1 1 1 -6  23 1  o 122.2945 7.306290 152.8219       18.08693  136.7932       
24.88517  170.7711       26.33383  115.3220 10.73481 129.0311 10.11725 
-13.70918      14.75110 
1 1 1 -6  23 2  o 600.2836 7.953176 3669.741       97.08419  3596.728       
135.1477  3747.592       139.5538  593.8128 11.19200 606.1160 11.32230 
-12.30316      15.92028 
1 1 1 -6  23 3  o 239.1184 5.534405 581.8137       26.91134  590.3141       
38.15051  573.3948       37.96693  240.7674 7.792042 237.2883 7.868243 
3.479050       11.07362 
1 1 1 -6  23 4  o 129.5536 3.494072 170.7084       9.205190  175.9065       
12.81773  165.1720       13.22818  131.4933 4.793537 127.4130 5.105459 
4.080276       7.003121 
1 1 1 -6  23 5  o 603.9000 5.532790 3711.038       67.94548  3746.653       
96.82652  3676.488       95.36889  606.5475 7.850152 600.8466 7.805337 
5.700928       11.07015 
1 1 1 -6  23 6  o 676.5314 6.069640 4658.326       83.50305  4713.822       
119.3023  4605.028       116.9162  680.2044 8.624973 672.3206 8.551590 
7.883850       12.14578 
1 1 1 -6  23 7  o 475.5703 6.751266 2302.642       65.29070  2302.642       
65.29070  0.000000       0.000000  475.5703 6.751266 ?        ?        
0.000000       6.751266 
1 1 1 -6  23 8  o 169.0784 9.349206 292.3679       32.02022  292.3679       
32.02022  0.000000       0.000000  169.0784 9.349206 ?        ?        
0.000000       9.349206 
1 1 1 -6  23 9  o 270.3690 4.117335 743.7107       22.63730  728.9265       
31.35409  759.8084       32.71735  267.5888 5.762020 273.1910 5.889254 
-5.602203      8.239186 
1 1 1 -6  23 10 o 206.3238 4.962885 433.2895       20.82260  416.3596       
25.53476  466.8931       35.97472  202.1924 6.210340 213.9749 8.267671 
-11.78244      10.34034 
1 1 1 -6  23 11 o 305.5747 4.299985 950.3341       26.71996  923.4757       
37.47004  978.1232       38.11364  301.0765 6.120062 309.8637 6.048649 
-8.787201      8.604726 
1 1 1 -6  23 12 o 296.0945 4.924392 892.8113       29.65067  886.1638       
50.04544  896.4070       36.80620  294.5592 8.354884 296.5663 6.103062 
-2.007080      10.34657 
1 1 1 -6  23 13 o 190.7015 4.676097 370.4023       18.13381  336.2244       
25.28408  406.6042       26.02200  181.5125 6.849979 199.6535 6.409325 
-18.14104      9.380920 
1 1 1 -6  23 14 o 68.41690 11.45645 49.43348       15.37560  19.70608       
28.16004  62.06029       18.35278  51.03359 19.49063 76.69320 12.17453 
-25.65961      22.98051 
1 1 1 -6  23 15 o 131.2425 5.870091 175.7878       15.66646  203.2892       
22.49239  149.8736       21.83373  140.7078 7.892647 120.5604 8.969980 
20.14741       11.94799 
1 1 1 -6  23 16 o 60.24370 13.07235 39.06797       15.55450  37.65887       
18.88875  42.03657       27.41627  58.93666 15.53902 62.76211 19.46117 
-3.825451      24.90378 
1 1 1 -6  23 17 o 101.1117 8.945699 105.8890       18.20379  95.26493       
21.62309  131.7414       33.73050  95.30875 11.38179 111.0995 15.33910 
-15.79077      19.10061 
1 1 1 -6  23 18 o 40.37928 15.47525 12.21411       17.79086  -7.846165      
21.03786  62.57523       33.33350  33.57552 15.01781 74.75066 21.03935 
-41.17514      25.84935 
1 1 1 -6  23 19 o 181.9942 5.806971 338.7137       21.49110  335.9985       
30.85153  341.2732       29.95434  180.6996 8.395916 182.1913 8.085012 
-1.491684      11.65585 
1 1 1 -6  23 20 o 169.0306 6.296033 292.6577       21.64132  285.0710       
30.91081  299.9518       30.30896  165.8916 9.198967 170.3167 8.780978 
-4.425003      12.71718 
1 1 1 -6  23 21 o 119.4999 9.457767 148.9897       22.79525  177.7103       
29.90084  109.1326       35.22400  129.8424 11.44133 98.71577 18.21807 
31.12659       21.51284 
1 1 1 -6  23 22 o 58.10529 14.72018 37.87410       17.41337  40.00808       
24.92084  35.83813       24.34183  59.40484 18.57647 56.72483 18.43134 
2.680012       26.16867 
1 1 1 -6  23 23 f 149.2325 7.041816 231.1057       21.36976  223.2095       
30.42312  238.7959       30.02365  144.6158 10.41487 149.9375 9.902719 
-5.321640      14.37127 
1 1 1 -6  23 24 o 47.61504 16.69408 25.69896       19.97923  52.52108       
34.30657  11.93326       24.57706  63.22313 21.89200 41.96834 17.44901 
21.25479       27.99514 
1 1 1 -6  24 1  o 817.9183 10.13951 6822.388       168.6468  6797.426       
237.6655  6847.705       239.3486  815.2087 14.33659 818.2015 14.38531 
-2.992859      20.30948 
1 1 1 -6  24 2  o 415.8274 6.385043 1760.131       53.99187  1702.112       
74.70176  1823.589       78.12531  408.6871 8.988526 423.0094 9.082185 
-14.32230      12.77809 
1 1 1 -6  24 3  o 126.9159 6.941654 164.4848       17.84767  178.4668       
24.95506  149.8446       25.53578  131.9956 9.357759 120.7600 10.50320 
11.23563       14.06715 
1 1 1 -6  24 4  o 178.1684 3.375962 322.8652       12.23149  310.1596       
16.78403  337.2554       17.86215  174.6008 4.727144 182.0654 4.824530 
-7.464584      6.754404 
1 1 1 -6  24 5  o 476.4626 4.706988 2309.704       45.60614  2307.569       
64.28673  2311.867       64.70898  476.0919 6.640169 476.5316 6.677616 
-0.4397583     9.417132 
1 1 1 -6  24 6  o 284.0576 3.795127 820.7751       21.92220  809.9201       
30.75244  831.9907       31.25911  282.1115 5.360525 285.9288 5.376099 
-3.817261      7.591948 
1 1 1 -6  24 7  o 362.2701 4.177980 1335.165       30.77870  1342.196       
43.65284  1328.214       43.40354  363.1187 5.911702 361.2225 5.908794 
1.896179       8.358354 
1 1 1 -6  24 8  o 319.7582 4.816475 1040.473       31.31861  955.2443       
54.10854  1083.412       38.40598  306.0914 8.692872 326.2284 5.789294 
-20.13702      10.44423 
1 1 1 -6  24 9  o 63.42452 9.250351 41.90179       11.57960  42.67280       
15.86245  41.02217       16.94295  63.45687 12.73522 62.07306 13.78172 
1.383808       18.76491 
1 1 1 -6  24 10 o 83.25552 8.389820 71.43105       14.01061  64.66655       
17.24234  84.57795       24.03756  78.75568 11.07199 89.81667 13.58515 
-11.06098      17.52556 
1 1 1 -6  24 11 o 272.1904 4.252680 754.1100       23.53894  726.2557       
32.79127  783.7225       33.81030  266.9701 6.040100 277.3359 5.995033 
-10.36575      8.510184 
1 1 1 -6  24 12 o 529.8775 6.143240 2862.602       66.19489  2840.186       
112.5385  2874.461       81.85171  526.4132 10.51291 530.5934 7.586028 
-4.180237      12.96415 
1 1 1 -6  24 13 o 115.3718 7.017780 136.4134       16.38636  116.8540       
19.55152  182.5850       30.03926  106.4376 9.121161 132.8215 11.22682 
-26.38388      14.46503 
1 1 1 -6  24 14 o 301.4033 6.369802 927.4916       39.04140  955.0079       
56.94388  903.0841       53.63070  305.1666 9.176110 296.8336 8.884827 
8.332947       12.77267 
1 1 1 -6  24 15 o 55.61945 12.04325 33.18069       13.22685  34.53604       
18.75889  31.84065       18.65274  56.61064 15.73037 54.57200 15.86160 
2.038639       22.33909 
1 1 1 -6  24 16 o 150.8626 5.530177 232.3364       16.96571  255.6903       
24.12038  209.4688       23.86789  157.9984 7.507236 142.6643 8.262481 
15.33412       11.16365 
1 1 1 -6  24 17 o 51.03382 13.36923 28.16413       14.04045  24.27240       
20.08374  31.88437       19.63622  49.36407 16.76101 54.54936 16.38434 
-5.185291      23.43881 
1 1 1 -6  24 18 o 196.4680 5.433375 394.3878       21.70766  387.4323       
29.76322  402.2927       31.72959  194.2925 7.533079 197.8956 7.884549 
-3.603149      10.90474 
1 1 1 -6  24 19 o 28.58422 13.13586 -11.99498      17.47601  -23.77623      
30.19459  -6.060450      21.43023  36.35771 16.90360 34.48303 15.30727 
1.874680       22.80448 
1 1 1 -6  24 20 o 39.97651 15.21631 12.60022       17.12709  25.69312       
23.95052  -1.102114      24.50160  51.32702 18.25080 38.76545 16.80765 
12.56157       24.81107 
1 1 1 -6  24 21 o 85.93707 12.50944 79.39523       21.21949  46.74828       
26.44172  138.4549       35.56429  64.21574 18.94860 112.2883 16.03000 
-48.07261      24.81956 
1 1 1 -6  24 22 o 103.0257 10.32183 112.6639       21.33400  121.0758       
35.75446  108.0132       26.58514  102.9324 17.72084 99.41097 13.50003 
3.521431       22.27732 
1 1 1 -6  24 23 o 114.0925 8.651384 137.5810       19.92278  138.1402       
29.95577  137.1374       26.67830  111.4045 13.49843 112.0645 11.88836 
-0.6599808     17.98724 
1 1 1 -6  24 24 o 51.43266 15.45866 31.60734       17.47575  19.56852       
25.18830  42.78099       24.26635  45.39056 18.11035 58.32034 18.34619 
-12.92978      25.77921 
1 1 1 -6  25 1  o 50.74176 14.50457 26.98169       15.71632  39.47433       
21.82452  13.52498       22.65099  61.11931 16.96138 45.08253 17.41357 
16.03678       24.30886 
1 1 1 -6  25 2  o 811.7676 10.10304 6721.830       166.7766  6428.546       
226.3496  7070.150       246.6746  792.6708 14.04221 831.0791 14.59589 
-38.40826      20.25398 
1 1 1 -6  25 3  o 274.9334 5.744430 769.3513       32.11633  744.4733       
44.80632  795.6390       46.05825  270.3105 8.151262 279.4484 8.105027 
-9.137817      11.49498 
1 1 1 -6  25 4  o 239.1289 3.501190 581.6392       17.02547  542.1909       
23.12028  628.3726       25.16475  230.8336 4.925412 248.5008 4.979815 
-17.66721      7.004159 
1 1 1 -6  25 5  o 223.9598 3.603454 510.2057       16.41120  514.3965       
23.02992  505.8820       23.39222  224.8323 5.037118 222.9593 5.159343 
1.873032       7.210505 
1 1 1 -6  25 6  o 112.6750 4.658415 129.1817       10.67375  123.2891       
14.55863  136.0303       15.69532  109.8407 6.547615 115.3817 6.718396 
-5.541016      9.381264 
1 1 1 -6  25 7  o 436.6415 4.565176 1940.031       40.53535  1984.355       
58.14719  1898.128       56.53795  441.4276 6.477655 431.7343 6.439796 
9.693329       9.134057 
1 1 1 -6  25 8  o 230.9671 4.801156 542.9210       22.55004  516.4628       
40.37891  554.9127       27.18408  225.0135 8.824592 233.4568 5.726071 
-8.443314      10.51957 
1 1 1 -6  25 9  o 408.4450 5.240596 1698.468       43.52770  1673.697       
52.94505  1750.126       76.45827  405.3224 6.423522 414.0679 9.080328 
-8.745483      11.12268 
1 1 1 -6  25 10 o 164.7261 9.359785 278.1491       31.22364  0.000000       
0.000000  278.1491       31.22364  ?        ?        164.7261 9.359785 
0.000000       9.359785 
1 1 1 -6  25 11 o 31.73941 13.10637 2.997033       13.73073  -6.270215      
16.88941  21.06153       23.58044  30.45473 13.55075 49.54416 18.04577 
-19.08943      22.56707 
1 1 1 -6  25 12 o 224.4944 8.233867 515.2620       37.58900  515.2620       
37.58900  0.000000       0.000000  224.4944 8.233867 ?        ?        
0.000000       8.233867 
1 1 1 -6  25 13 o 178.0511 4.734173 323.0318       17.14116  332.5904       
24.54135  313.9269       23.95192  180.4732 6.687044 175.3330 6.717773 
5.140244       9.478662 
1 1 1 -6  25 14 o 216.5965 5.317341 478.5059       23.42056  468.7841       
42.02914  482.8843       28.20574  213.6128 9.675465 217.4356 6.379042 
-3.822800      11.58908 
1 1 1 -6  25 15 o 58.95213 11.52486 37.11245       13.32097  34.62809       
18.44142  39.82304       19.26280  56.60181 15.54576 60.53900 15.56158 
-3.937187      21.99621 
1 1 1 -6  25 16 o 173.6400 5.173314 307.7149       18.26712  302.9050       
25.35301  312.9077       26.34263  171.9679 7.249878 174.7552 7.412720 
-2.787262      10.36866 
1 1 1 -6  25 17 o 201.9042 5.108422 416.1997       20.97411  425.3682       
29.66903  407.0400       29.65471  203.7119 7.162021 199.2392 7.319265 
4.472687       10.24042 
1 1 1 -6  25 18 o 123.7411 6.961436 157.4951       17.44602  149.2495       
24.56377  165.8882       24.78249  119.6593 10.19191 126.3316 9.721410 
-6.672310      14.08477 
1 1 1 -6  25 19 o 37.12495 15.19562 6.127505       18.25340  19.25066       
28.78825  -2.695470      23.60498  50.23232 19.56730 37.51777 16.37918 
12.71455       25.51778 
1 1 1 -6  25 20 o 50.98946 16.28305 27.71421       19.05800  46.82029       
32.08481  17.29815       23.69002  65.03606 21.16211 46.42553 17.84213 
18.61054       27.67989 
1 1 1 -6  25 21 o 133.2350 8.729042 184.9393       23.51955  164.3981       
29.69681  219.5048       38.52283  124.3026 11.89357 142.9666 13.40710 
-18.66396      17.92226 
1 1 1 -6  25 22 o 114.8563 8.359282 138.1954       19.39034  143.6815       
27.50686  132.7765       27.33809  115.4396 11.88748 110.6824 12.35705 
4.757141       17.14669 
1 1 1 -6  25 23 o 47.28185 15.54680 25.37410       17.29987  58.63024       
25.12963  -4.585821      23.85177  69.37014 17.74309 35.47147 15.91931 
33.89867       23.83783 
1 1 1 -6  26 1  o 259.1432 5.877198 683.6939       30.97145  688.1230       
43.48976  679.1360       44.11748  259.8201 8.231194 258.1039 8.405521 
1.716187       11.76458 
1 1 1 -6  26 2  o 482.9822 6.983443 2376.004       68.58863  2328.383       
95.43468  2426.879       98.64278  477.7072 9.824106 487.6854 9.946589 
-9.978180      13.98026 
1 1 1 -6  26 3  f 310.3752 5.923565 980.7037       37.38709  923.4485       
50.93584  1047.582       55.05018  300.9961 8.321683 320.5772 8.444514 
-19.58112      11.85581 
1 1 1 -6  26 4  o 351.5292 4.447636 1257.341       31.79378  1255.568       
39.66195  1260.528       53.18152  351.2115 5.553334 351.7502 7.434897 
-0.5386658     9.279937 
1 1 1 -6  26 5  o 609.8363 6.421847 3787.155       79.63879  3766.285       
97.78433  3828.268       137.2473  607.9132 7.909997 612.2263 11.02403 
-4.313049      13.56825 
1 1 1 -6  26 6  o 160.4027 7.186846 262.1358       23.44237  0.000000       
0.000000  262.1358       23.44237  ?        ?        160.4027 7.186846 
0.000000       7.186846 
1 1 1 -6  26 7  o 47.19967 10.49473 23.65120       9.812333  18.55475       
13.39156  29.55949       14.41878  42.94822 13.64243 52.71119 13.41725 
-9.762978      19.13474 
1 1 1 -6  26 8  o 245.9267 4.775558 615.6108       23.88258  615.2367       
43.84079  615.7686       28.47931  245.5338 8.780428 245.9017 5.695299 
-0.3678894     10.46577 
1 1 1 -6  26 9  o 278.9366 4.773574 792.1019       27.07700  831.5628       
33.84863  721.9764       45.12272  285.7119 5.825876 265.9586 8.343146 
19.75336       10.17590 
1 1 1 -6  26 10 o 212.0178 4.295052 457.6024       18.51791  455.0250       
25.97637  460.2657       26.40547  211.2952 6.045572 212.5031 6.110507 
-1.207870      8.595769 
1 1 1 -6  26 11 o 305.1635 4.330309 948.2399       26.87218  889.2634       
36.89816  1014.850       39.21346  295.3039 6.144464 315.4725 6.112546 
-20.16855      8.667045 
1 1 1 -6  26 12 o 286.2396 4.331167 834.4946       25.21077  843.4580       
35.88073  825.7549       35.43035  287.5253 6.136684 284.4939 6.124224 
3.031403       8.669776 
1 1 1 -6  26 13 o 65.06884 9.670526 44.39483       12.40687  39.70665       
16.87309  49.91329       18.30633  60.69333 13.96175 68.23441 13.66951 
-7.541077      19.53935 
1 1 1 -6  26 14 o 208.1030 5.438787 441.9058       23.01611  473.5801       
42.08265  428.3874       27.49239  214.6133 9.642619 204.7221 6.603837 
9.891174       11.68721 
1 1 1 -6  26 15 o 220.8488 5.304546 497.8026       23.82290  486.1443       
29.10271  521.4801       41.47496  218.0285 6.564002 225.2261 9.055572 
-7.197632      11.18434 
1 1 1 -6  26 16 o 175.5352 5.936131 314.9595       21.18943  325.8182       
35.28398  308.8343       26.50020  177.4641 9.815365 173.5446 7.509078 
3.919495       12.35830 
1 1 1 -6  26 17 o 110.3159 8.094005 125.7602       18.03063  129.0635       
29.82381  123.8573       22.63588  110.1981 13.59713 108.9215 10.34367 
1.276543       17.08431 
1 1 1 -6  26 18 o 172.7895 5.731966 305.4262       20.14060  301.3215       
28.80449  309.3527       28.17226  171.0599 8.280576 173.4001 7.989525 
-2.340195      11.50654 
1 1 1 -6  26 19 o 154.7994 7.350182 246.2884       23.13763  275.4114       
39.21415  230.7347       28.65769  161.8526 11.99985 149.0099 9.507043 
12.84271       15.30948 
1 1 1 -6  26 20 o 152.4909 6.780117 238.9734       21.02484  201.4454       
29.58046  277.2888       29.88917  138.5849 10.57619 163.3558 9.032706 
-24.77097      13.90847 
1 1 1 -6  26 21 f 47.06038 15.65431 23.47438       17.52134  78.22457       
25.47870  -25.64828      24.13378  83.66324 15.54817 30.52065 14.47454 
53.14259       21.24283 
1 1 1 -6  26 22 o 42.23971 15.35055 17.61846       17.04889  7.304050       
24.05700  28.02562       24.16492  40.64017 17.10521 51.05042 18.31311 
-10.41025      25.05910 
1 1 1 -6  26 23 o 69.48691 13.71118 55.58716       18.68640  59.21882       
25.72404  51.52980       27.18997  69.01197 18.10441 63.71526 19.31202 
5.296711       26.47119 
1 1 1 -6  27 1  o 398.4743 9.061084 1620.145       73.42296  1620.145       
73.42296  0.000000       0.000000  398.4743 9.061084 ?        ?        
0.000000       9.061084 
1 1 1 -6  27 2  f 499.5366 7.220247 2542.690       73.34504  2622.562       
104.9142  2466.339       102.5764  506.7820 10.18032 491.4388 10.26424 
15.34326       14.45661 
1 1 1 -6  27 3  o 35.71864 14.48061 5.360075       16.38288  35.44392       
22.68930  -27.40891      23.68023  58.43564 17.62571 30.57100 14.45085 
27.86464       22.79238 
1 1 1 -6  27 4  f 165.1877 6.613141 277.9462       22.21451  267.1054       
30.67389  289.9036       32.21487  161.5174 9.379338 168.2825 9.452095 
-6.765091      13.31593 
1 1 1 -6  27 5  o 278.5949 3.776666 789.6468       21.39602  786.8963       
29.88629  792.5388       30.64507  278.0279 5.286062 279.0156 5.401081 
-0.9876709     7.557389 
1 1 1 -6  27 6  o 356.5085 4.128903 1293.294       29.93340  1306.800       
42.59876  1280.121       42.07062  358.2259 5.847747 354.5516 5.835097 
3.674316       8.261023 
1 1 1 -6  27 7  o 225.6081 3.928124 517.9200       18.02151  501.9711       
25.09958  534.8911       25.89140  222.0222 5.559281 229.1871 5.555383 
-7.164917      7.859255 
1 1 1 -6  27 8  o 346.0328 4.989080 1219.158       35.10664  1167.702       
62.44082  1242.943       42.45187  338.1088 9.081567 349.2863 5.976732 
-11.17758      10.87181 
1 1 1 -6  27 9  o 373.6441 5.090847 1421.877       38.68117  1370.594       
46.39594  1538.785       70.05059  366.6932 6.221938 388.0421 8.877314 
-21.34885      10.84063 
1 1 1 -6  27 10 o 167.8565 4.534910 286.9249       15.47955  292.2727       
21.95386  281.6375       21.82945  169.2860 6.377324 166.1708 6.460060 
3.115128       9.077590 
1 1 1 -6  27 11 o 125.9995 5.997309 161.9319       15.36657  160.5146       
24.94495  162.7986       19.50738  124.7228 9.917144 125.9835 7.650586 
-1.260719      12.52522 
1 1 1 -6  27 12 o 253.8638 4.342461 656.5334       22.41754  683.1111       
32.15615  631.4022       31.26886  258.7079 6.112277 248.7127 6.182478 
9.995178       8.693847 
1 1 1 -6  27 13 o 108.4298 7.017973 120.7227       15.39135  117.9834       
25.50296  122.2921       19.30304  106.1843 12.02263 108.8334 8.797135 
-2.649094      14.89743 
1 1 1 -6  27 14 o 232.9929 6.355977 554.8860       30.11456  0.000000       
0.000000  554.8860       30.11456  ?        ?        232.9929 6.355977 
0.000000       6.355977 
1 1 1 -6  27 15 o 147.3638 6.205407 222.0408       18.59570  232.4747       
23.38389  204.0910       30.67077  150.3743 7.672539 140.0824 10.85155 
10.29189       13.29000 
1 1 1 -6  27 16 o 127.6455 6.177481 166.6961       16.03498  170.2776       
22.05836  162.6827       23.35056  128.3855 8.497053 125.2986 9.229282 
3.086929       12.54510 
1 1 1 -6  27 17 o 240.9773 4.935135 593.0538       24.18392  583.6832       
33.86294  602.8085       34.54986  238.5399 6.980914 242.4079 7.008872 
-3.868027      9.892293 
1 1 1 -6  27 18 o 55.17962 13.79257 33.33534       15.43422  16.01985       
21.96459  50.22452       21.69251  44.92052 17.19986 67.31858 16.06894 
-22.39806      23.53818 
1 1 1 -6  27 19 o 130.0258 8.304957 175.1250       21.84465  172.3369       
37.15433  176.5980       27.00531  126.5503 14.71216 129.9353 10.30500 
-3.385078      17.96221 
1 1 1 -6  27 20 o 151.8688 6.629993 237.1484       20.47544  241.1866       
29.43292  233.3613       28.50276  151.9630 9.573478 149.5306 9.421756 
2.432419       13.43209 
1 1 1 -6  27 21 o 42.82972 15.73085 17.32237       17.97225  47.88705       
25.31899  -13.71817      25.51533  64.09912 18.43648 34.67441 15.91155 
29.42471       24.35326 
1 1 1 -6  27 22 o 57.33344 15.17278 38.22073       17.96545  55.40086       
26.04501  22.62666       24.81367  67.51656 18.44629 47.89626 18.29510 
19.62030       25.98031 
1 1 1 -6  27 23 o 72.04282 12.94404 59.39629       18.26618  68.94528       
26.88767  51.21210       24.89215  74.11610 18.01550 63.53284 18.28239 
10.58326       25.66717 
1 1 1 -6  28 1  o 376.6487 6.363951 1445.354       48.74328  1368.428       
66.93092  1532.227       71.12711  366.1200 8.989840 387.4061 9.028536 
-21.28610      12.74094 
1 1 1 -6  28 2  o 277.5351 5.936495 784.4999       33.50422  752.1979       
46.66980  818.8521       48.12808  271.5253 8.452288 283.3115 8.353777 
-11.78619      11.88389 
1 1 1 -6  28 3  o 335.4702 6.080461 1146.279       41.48029  1131.982       
58.71690  1160.521       58.60722  333.0707 8.669127 337.2602 8.545444 
-4.189484      12.17285 
1 1 1 -6  28 4  o 225.1917 6.064080 516.5253       27.76954  518.0664       
39.28209  514.9858       39.26205  225.3293 8.572854 224.6564 8.594146 
0.6729126      12.13891 
1 1 1 -6  28 5  o 96.66003 4.877743 95.35251       9.556815  84.10349       
12.27827  112.6421       15.22203  90.59982 6.712106 104.8755 7.180732 
-14.27573      9.829307 
1 1 1 -6  28 6  o 484.4856 4.830432 2389.571       47.59027  2521.699       
70.05807  2276.362       64.84899  497.3753 6.926639 472.5920 6.747851 
24.78333       9.670152 
1 1 1 -6  28 7  o 104.3762 5.452076 111.2639       11.53201  80.61904       
15.74533  146.7241       16.93726  88.40376 8.878471 119.7543 6.985373 
-31.35059      11.29702 
1 1 1 -6  28 8  o 77.49872 10.82826 62.70038       16.59885  98.35152       
27.71331  42.75612       20.72816  96.65348 14.55116 63.11727 16.09866 
33.53621       21.70030 
1 1 1 -6  28 9  o 165.0163 8.019366 278.1991       26.91028  278.1991       
26.91028  0.000000       0.000000  165.0163 8.019366 ?        ?        
0.000000       8.019366 
1 1 1 -6  28 10 o 364.9464 5.018775 1357.136       37.24588  1359.067       
62.68937  1356.082       46.30464  364.4789 8.458049 364.5878 6.245555 
-0.1089172     10.51406 
1 1 1 -6  28 11 o 218.6565 4.828619 487.2487       21.47023  465.4106       
35.00310  500.4209       27.18483  213.2588 8.071387 221.4484 6.036744 
-8.189606      10.07917 
1 1 1 -6  28 12 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -6  28 13 o 143.5260 5.299466 210.2060       15.46728  184.9191       
21.19205  239.0318       22.62643  134.1137 7.804228 152.8074 7.281487 
-18.69370      10.67361 
1 1 1 -6  28 14 o 246.7174 5.297341 621.3713       26.57720  639.0849       
47.85106  613.4692       31.96015  249.1325 9.445170 244.9162 6.417116 
4.216324       11.41887 
1 1 1 -6  28 15 o 139.0111 6.490681 197.7867       18.34811  183.6762       
22.24085  227.8517       32.46467  133.4468 8.236059 147.9499 10.86661 
-14.50311      13.63510 
1 1 1 -6  28 16 o 115.8895 6.490308 137.9907       15.23389  132.7766       
21.48821  143.2593       21.60016  113.0160 9.436255 117.5055 9.110792 
-4.489510      13.11676 
1 1 1 -6  28 17 o 123.3962 8.157376 157.4802       20.35385  135.1738       
23.53236  223.7279       40.55424  113.7002 10.28925 145.0368 13.92116 
-31.33661      17.31090 
1 1 1 -6  28 18 o 105.2529 7.934603 114.7393       16.85796  114.4598       
23.50996  115.0350       24.18592  104.1662 11.27888 104.3246 11.59676 
-0.1584930     16.17708 
1 1 1 -6  28 19 o 104.5055 9.688116 114.3663       20.35462  115.2568       
34.08332  113.8726       25.37695  101.9841 17.03548 103.3718 12.31455 
-1.387680      21.02036 
1 1 1 -6  28 20 o 127.9438 7.889612 169.9819       20.42690  196.4604       
29.35681  145.1298       28.44095  136.4467 10.66501 116.4940 12.18610 
19.95270       16.19393 
1 1 1 -6  28 21 o 69.06654 13.57760 53.27728       18.38981  64.67982       
26.12825  42.08377       25.88766  74.34288 17.56245 60.01070 18.95803 
14.33218       25.84273 
1 1 1 -6  28 22 o 79.30828 11.66416 69.49824       18.24958  71.28859       
26.65712  67.91894       25.03664  76.80416 17.46286 75.38059 16.76618 
1.423569       24.20860 
1 1 1 -6  28 23 o 78.46245 13.26497 71.18964       20.41061  61.72371       
25.79189  87.05040       33.38596  69.39469 18.09138 80.64226 20.35649 
-11.24757      27.23389 
1 1 1 -6  29 1  o 537.1287 7.534974 2943.267       82.30223  2987.988       
118.1752  2901.146       114.6889  540.2593 10.75654 532.4049 10.59322 
7.854431       15.09700 
1 1 1 -6  29 2  o 408.0123 6.545765 1696.751       54.31066  1627.795       
75.02085  1772.689       78.72684  399.1566 9.242453 416.5316 9.294444 
-17.37500      13.10762 
1 1 1 -6  29 3  o 361.3363 6.274687 1330.443       46.10575  1333.426       
65.84579  1327.573       64.57941  361.3303 8.961324 360.5638 8.807662 
0.7665710      12.56504 
1 1 1 -6  29 4  o 359.3773 6.308233 1316.122       46.10095  1232.789       
63.74501  1407.504       66.75208  347.4073 9.023100 371.2435 8.842081 
-23.83615      12.63324 
1 1 1 -6  29 5  o 511.5121 6.733920 2667.390       70.04470  2667.390       
70.04470  0.000000       0.000000  511.5121 6.733920 ?        ?        
0.000000       6.733920 
1 1 1 -6  29 6  o 331.0618 4.552108 1115.844       30.64595  1102.609       
50.05881  1123.778       38.75781  328.7286 7.488445 332.1096 5.738870 
-3.381012      9.434587 
1 1 1 -6  29 7  f 234.8514 4.475837 561.5701       21.37562  575.7676       
34.43186  552.6671       27.26616  237.5513 7.127735 232.8777 5.757643 
4.673645       9.162700 
1 1 1 -6  29 8  o 106.1072 8.826267 115.9380       18.87185  109.6352       
31.07568  119.6206       23.75363  101.8155 15.49820 107.4179 11.03094 
-5.602348      19.02304 
1 1 1 -6  29 9  o 182.0159 5.078638 337.6057       18.79784  323.6664       
22.40083  370.7884       34.56197  178.1227 6.184340 190.3076 8.930809 
-12.18491      10.86303 
1 1 1 -6  29 10 o 125.9538 5.197031 161.7324       13.31123  150.6207       
18.45289  173.7876       19.22039  121.1442 7.527734 130.1962 7.288875 
-9.052002      10.47829 
1 1 1 -6  29 11 f 104.4598 6.756394 111.9725       14.27523  153.6888       
23.37998  87.17665       18.02523  121.9725 9.501027 91.59298 9.831378 
30.37952       13.67207 
1 1 1 -6  29 12 o 93.79240 6.771424 90.42175       12.82831  110.7356       
17.71551  68.02684       18.60081  103.5527 8.487379 80.30138 11.73745 
23.25136       14.48459 
1 1 1 -6  29 13 o 81.24281 7.648358 68.24477       12.48711  55.18351       
17.23106  82.69074       18.12145  71.98667 12.20701 88.97876 10.19929 
-16.99209      15.90712 
1 1 1 -6  29 14 o 227.5197 9.700053 533.9812       44.87915  533.9812       
44.87915  0.000000       0.000000  227.5197 9.700053 ?        ?        
0.000000       9.700053 
1 1 1 -6  29 15 o 136.1244 6.575340 189.8002       18.20143  184.6561       
22.14931  200.4985       31.94172  133.7565 8.182523 138.4387 11.44891 
-4.682220      14.07236 
1 1 1 -6  29 16 o 166.4603 5.368522 283.2849       18.17258  316.8927       
25.73630  249.8664       25.66368  175.6735 7.204244 155.5778 8.140141 
20.09573       10.87028 
1 1 1 -6  29 17 o 85.12589 10.68502 76.51473       18.08891  71.05076       
21.47110  89.87697       33.57682  81.11115 13.49124 89.25085 19.07846 
-8.139702      23.36667 
1 1 1 -6  29 18 o 94.55466 8.666634 93.15584       16.47879  94.55083       
23.45302  91.79564       23.15881  94.04983 12.57785 92.63091 12.62314 
1.418915       17.81982 
1 1 1 -6  29 19 o 72.02759 12.27187 56.10542       17.33031  82.78377       
25.15462  32.00137       23.91020  86.84618 14.77245 54.64590 18.28944 
32.20028       23.51018 
1 1 1 -6  29 20 o 117.0622 8.348927 143.0673       19.74433  173.0787       
28.58813  115.6962       27.30167  127.5715 11.13149 103.1123 13.33275 
24.45924       17.36872 
1 1 1 -6  29 21 o 30.94365 13.69086 -2.919431      17.00622  -14.12289      
23.67713  9.019510       24.44196  32.74465 15.13454 41.52783 17.34470 
-8.783180      23.01940 
1 1 1 -6  29 22 o 33.41040 14.27402 3.340523       17.18094  0.1443014      
24.30947  6.530468       24.28559  37.08429 16.39017 39.47411 16.92032 
-2.389812      23.55706 
1 1 1 -6  30 1  o 52.42707 19.06479 23.83225       26.30334  0.000000       
0.000000  23.83225       26.30334  ?        ?        52.42707 19.06479 
0.000000       19.06479 
1 1 1 -6  30 2  o 250.0633 8.553504 638.9323       43.49562  0.000000       
0.000000  638.9323       43.49562  ?        ?        250.0633 8.553504 
0.000000       8.553504 
1 1 1 -6  30 3  o 78.31383 11.87346 64.32397       18.31597  57.08762       
28.02670  69.71843       24.19833  72.73167 18.80920 80.90896 15.26720 
-8.177284      24.22547 
1 1 1 -6  30 4  o 50.11382 15.30902 26.03116       17.03767  -1.651095      
25.10702  49.65992       23.19609  39.79459 17.13391 67.92488 16.86972 
-28.13029      24.04492 
1 1 1 -6  30 5  o 105.8663 5.374796 114.4780       11.53305  111.7726       
12.88015  125.4202       25.90319  104.5363 6.085346 109.9254 11.77087 
-5.389038      13.25084 
1 1 1 -6  30 6  f 453.2673 4.677649 2092.343       43.11551  2169.749       
62.51821  2022.138       59.53983  461.1912 6.666134 445.2468 6.575902 
15.94440       9.363750 
1 1 1 -6  30 7  o 112.5156 5.776083 129.4028       13.17138  129.5886       
16.15151  129.0340       22.75743  112.4453 7.099964 111.7457 10.12472 
0.6996384      12.36606 
1 1 1 -6  30 8  o 41.48441 15.23012 14.42644       16.84371  -5.070297      
25.79801  28.91319       22.23775  38.95213 17.06108 53.59324 17.62667 
-14.64111      24.53120 
1 1 1 -6  30 9  o 83.21743 7.984984 71.49907       13.34672  61.99767       
15.86036  94.55304       24.70540  76.99922 10.39489 94.75684 13.17796 
-17.75762      16.78429 
1 1 1 -6  30 10 o 206.4087 4.368423 434.1133       18.33598  449.8833       
26.19184  418.9563       25.67778  209.9070 6.136032 202.5499 6.234103 
7.357101       8.747281 
1 1 1 -6  30 11 o 202.3349 4.384063 417.2609       18.03844  420.5725       
25.59920  413.9949       25.42215  202.8920 6.204546 201.2982 6.210419 
1.593750       8.778707 
1 1 1 -6  30 12 o 60.62012 9.826914 38.79519       11.69922  26.89857       
15.96817  52.58147       17.18966  50.18430 14.70161 70.16325 12.50631 
-19.97895      19.30143 
1 1 1 -6  30 13 o 82.75678 7.662448 70.84415       12.74870  67.66613       
17.54277  74.40099       18.55889  80.11974 11.06239 84.05949 11.13086 
-3.939751      15.69308 
1 1 1 -6  30 14 o 200.9190 5.537068 412.5703       22.62311  400.0593       
40.75778  418.1412       27.19749  196.3803 10.24162 202.0486 6.619445 
-5.668350      12.19458 
1 1 1 -6  30 15 o 98.77359 8.114340 101.0646       16.15436  102.9296       
19.97492  97.53867       27.46513  99.20869 10.03930 95.08041 14.67749 
4.128281       17.78247 
1 1 1 -6  30 16 o 102.7968 7.498427 109.2439       15.56665  117.3337       
22.11608  101.3009       21.91445  105.7718 10.41744 97.97073 11.20107 
7.801033       15.29663 
1 1 1 -6  30 17 o 86.23132 10.68084 78.59780       18.32856  79.32088       
21.60722  76.74264       34.60967  85.96173 12.74690 81.54277 20.80425 
4.418961       24.39877 
1 1 1 -6  30 18 o 126.7755 7.117268 165.8988       18.27426  149.7743       
25.75431  182.2492       25.93403  119.2925 10.73145 132.0602 9.725540 
-12.76768      14.48275 
1 1 1 -6  30 19 o 91.59261 9.674048 88.42033       17.74592  72.16233       
25.65508  103.3357       24.57292  80.10445 16.30389 97.95263 12.63068 
-17.84818      20.62404 
1 1 1 -6  30 20 o 125.6979 7.635663 164.5246       19.42515  199.7759       
28.41159  133.5821       26.61862  137.3035 10.24954 111.3047 11.94724 
25.99875       15.74134 
1 1 1 -6  30 21 o 46.18086 15.39310 23.74432       16.93834  42.98013       
24.09927  4.964094       23.81218  59.64345 18.20444 39.11925 16.76103 
20.52420       24.74538 
1 1 1 -6  30 22 o 58.30368 14.59543 40.61285       17.26480  17.67085       
24.56158  63.01931       24.27321  43.99350 17.76710 71.28100 16.98676 
-27.28750      24.58088 
1 1 1 -6  31 1  o 179.9788 9.563443 332.7650       34.87592  332.7650       
34.87592  0.000000       0.000000  179.9788 9.563443 ?        ?        
0.000000       9.563443 
1 1 1 -6  31 2  o 155.3890 7.055004 246.4802       22.29302  235.7352       
31.36674  257.4478       31.68994  151.2932 10.25585 158.2037 9.900215 
-6.910507      14.25471 
1 1 1 -6  31 3  f 340.1802 6.244046 1180.237       43.19431  1098.136       
59.22492  1273.533       63.13427  327.6212 8.889575 352.8388 8.799084 
-25.21753      12.50793 
1 1 1 -6  31 4  o 374.4556 6.422739 1430.351       48.90710  1384.828       
68.10062  1478.836       70.28109  367.8428 9.104108 380.1265 9.091989 
-12.28369      12.86659 
1 1 1 -6  31 5  o 152.6280 3.678346 237.1227       11.41664  244.2342       
12.41467  198.1517       29.06211  154.8870 3.941566 138.6078 10.38620 
16.27914       11.10897 
1 1 1 -6  31 6  o 399.9366 4.994668 1629.852       40.62086  1612.152       
50.16268  1663.568       69.23259  397.5244 6.205340 403.2393 8.442991 
-5.714874      10.47809 
1 1 1 -6  31 7  o 124.4525 5.446643 157.9221       13.78427  146.0311       
16.60363  184.2934       24.72642  119.3820 6.868278 133.7993 9.142487 
-14.41722      11.43496 
1 1 1 -6  31 8  o 345.5720 5.006910 1217.370       35.18518  1270.460       
65.80154  1196.112       41.63771  351.9498 9.193989 342.3527 5.980834 
9.597076       10.96813 
1 1 1 -6  31 9  o 187.4298 4.997886 358.2070       19.04918  353.7914       
22.88920  368.1566       34.35850  186.1484 6.046723 189.4279 8.919463 
-3.279587      10.77588 
1 1 1 -6  31 10 o 134.6245 5.497666 184.9803       15.05060  146.7979       
22.79186  214.5046       20.04185  119.1162 9.487985 144.8238 6.805285 
-25.70761      11.67620 
1 1 1 -6  31 11 o 156.9222 4.749189 251.1642       15.15497  229.9602       
20.48590  276.7960       22.52344  149.9162 6.719780 164.4736 6.734217 
-14.55742      9.513417 
1 1 1 -6  31 12 f 171.0596 4.739528 298.5458       16.48671  297.1636       
22.66318  300.0995       24.02810  170.3987 6.540382 171.1748 6.902847 
-0.7761078     9.509254 
1 1 1 -6  31 13 o 63.05454 9.656543 41.95406       11.98765  46.35878       
16.64016  37.20169       17.28438  65.54440 12.94376 58.34335 14.60279 
7.201050       19.51364 
1 1 1 -6  31 14 o 173.0453 6.004022 306.4840       21.12776  292.8652       
37.98109  312.5865       25.42446  167.4408 11.21951 174.5164 7.164139 
-7.075592      13.31173 
1 1 1 -6  31 15 o 72.22944 11.11596 55.53532       15.80371  63.85140       
19.65185  40.31224       26.58858  76.97792 13.01828 60.70692 19.21670 
16.27100       23.21114 
1 1 1 -6  31 16 o 153.8406 5.711012 242.3780       17.86633  226.3340       
24.39261  260.9474       26.24228  147.9006 8.141653 158.8353 8.152080 
-10.93471      11.52141 
1 1 1 -6  31 17 o 159.5081 6.737566 261.4693       21.85432  266.2161       
26.07303  250.2567       40.07259  160.6056 7.983243 153.3850 12.96887 
7.220596       15.22904 
1 1 1 -6  31 18 o 65.30385 12.65879 46.53538       16.20367  52.06316       
23.36515  41.41359       22.49076  67.78965 16.98442 60.59373 17.36117 
7.195923       24.28746 
1 1 1 -6  31 19 o 125.7258 7.529283 164.1174       19.16136  200.3687       
28.77320  135.2291       25.68542  137.7453 10.34773 112.5695 11.37671 
25.17587       15.37872 
1 1 1 -6  31 20 o 72.77068 12.66165 58.61452       18.05642  58.72991       
26.33363  58.51213       24.80604  70.16920 18.27414 70.44538 17.41506 
-0.2761841     25.24338 
1 1 1 -6  31 21 o 96.69020 9.758471 100.7926       18.92490  118.5308       
27.12505  83.96868       26.41670  102.5551 13.32112 84.30997 15.99322 
18.24516       20.81430 
1 1 1 -6  31 22 o 70.98420 12.52692 58.08839       17.42142  39.83518       
26.26219  72.43330       23.28146  55.23677 19.15256 77.30447 15.35133 
-22.06771      24.54555 
1 1 1 -6  32 1  o 133.1150 11.04877 183.5257       29.63802  183.5257       
29.63802  0.000000       0.000000  133.1150 11.04877 ?        ?        
0.000000       11.04877 
1 1 1 -6  32 2  o 165.5462 9.914587 282.2130       33.22322  282.2130       
33.22322  0.000000       0.000000  165.5462 9.914587 ?        ?        
0.000000       9.914587 
1 1 1 -6  32 3  o 289.0434 6.174252 852.4868       36.29099  782.9872       
49.43540  933.7183       53.44525  276.5082 8.791816 301.9742 8.703380 
-25.46591      12.37113 
1 1 1 -6  32 4  o 161.5889 7.247254 266.7991       23.81422  252.7149       
32.30302  283.5664       35.24587  156.5667 10.20167 165.8188 10.50687 
-9.252182      14.64474 
1 1 1 -6  32 5  o 138.7585 4.038512 196.0781       11.39548  196.0781       
11.39548  0.000000       0.000000  138.7585 4.038512 ?        ?        
0.000000       4.038512 
1 1 1 -6  32 6  o 87.84926 4.849984 78.89630       8.630664  69.56132       
9.517550  122.0979       20.47474  82.37879 5.716824 108.7057 9.353286 
-26.32695      10.96203 
1 1 1 -6  32 7  o 450.5927 5.390519 2070.965       49.39309  2075.076       
61.10773  2063.218       83.89091  450.6600 6.668002 448.3874 9.200473 
2.272675       11.36270 
1 1 1 -6  32 8  o 242.7179 8.936664 604.6805       44.10915  604.6805       
44.10915  0.000000       0.000000  242.7179 8.936664 ?        ?        
0.000000       8.936664 
1 1 1 -6  32 9  o 127.7199 5.803659 166.5839       15.07343  156.4769       
17.79025  192.3038       28.37952  123.4485 7.116880 136.2125 10.32229 
-12.76394      12.53793 
1 1 1 -6  32 10 o 24.58330 11.13599 -6.563762      11.98797  -36.87711      
17.29193  21.48762       16.63427  21.95186 10.82318 46.13053 15.24849 
-24.17867      18.69913 
1 1 1 -6  32 11 o 64.72980 8.977224 43.92398       11.49862  57.06027       
15.64561  28.49443       16.95637  73.51536 10.78636 51.52665 15.16534 
21.98870       18.61003 
1 1 1 -6  32 12 o 154.6635 4.992851 244.2391       15.70319  247.4507       
22.05278  240.9355       22.36585  155.3676 6.979938 153.2731 7.175762 
2.094452       10.01055 
1 1 1 -6  32 13 o 131.3267 5.561149 176.3524       14.85146  198.5059       
20.73578  153.0185       21.28110  138.8464 7.370427 121.5474 8.666660 
17.29902       11.37691 
1 1 1 -6  32 14 o 142.1006 5.608020 206.6103       16.20529  171.6388       
22.76728  242.5219       23.07123  128.6540 8.754409 153.6012 7.386262 
-24.94716      11.45411 
1 1 1 -6  32 15 o 136.0782 6.684552 190.1369       18.49746  182.9901       
22.52180  204.9503       32.42455  132.8757 8.377905 139.5053 11.53304 
-6.629593      14.25484 
1 1 1 -6  32 16 o 141.9932 6.005366 206.7622       17.34038  231.9019       
24.74082  182.4888       24.31083  149.6277 8.161958 132.3812 9.085704 
17.24651       12.21342 
1 1 1 -6  32 17 o 64.33456 12.39884 45.04226       15.63279  23.37107       
21.34024  70.13964       22.96530  48.54057 17.23104 79.82409 14.68899 
-31.28352      22.64233 
1 1 1 -6  32 18 f 164.0715 6.910164 277.4608       23.05541  245.9990       
37.59730  296.4217       29.18731  151.8605 12.27985 168.7865 8.531317 
-16.92593      14.95253 
1 1 1 -6  32 19 o 105.0908 8.817922 116.0980       18.67020  122.0727       
28.01352  111.3232       25.04281  105.6461 13.33670 101.2982 12.41710 
4.347885       18.22229 
1 1 1 -6  32 20 o 41.66096 15.57417 16.62474       17.76014  24.99256       
25.52641  8.773457       24.72598  49.35354 18.62633 41.34697 17.36882 
8.006573       25.46794 
1 1 1 -6  32 21 o 35.30492 14.50936 8.007855       16.72625  13.59403       
24.08497  2.803944       23.24630  42.08144 17.36616 37.16521 16.23898 
4.916229       23.77579 
1 1 1 -6  32 22 o 54.54524 15.03237 36.95064       17.20905  19.49257       
24.39577  54.24222       24.27917  43.72493 17.69005 63.96655 17.93908 
-20.24162      25.19421 
1 1 1 -6  33 1  o 118.2541 12.20577 146.0663       28.92955  146.0663       
28.92955  0.000000       0.000000  118.2541 12.20577 ?        ?        
0.000000       12.20577 
1 1 1 -6  33 2  o 116.2683 12.31549 141.2420       28.67489  141.2420       
28.67489  0.000000       0.000000  116.2683 12.31549 ?        ?        
0.000000       12.31549 
1 1 1 -6  33 3  o 67.59047 16.52768 49.68409       22.52765  49.68409       
22.52765  0.000000       0.000000  67.59047 16.52768 ?        ?        
0.000000       16.52768 
1 1 1 -6  33 4  o 50.41157 17.50830 24.34334       21.95083  24.34334       
21.95083  0.000000       0.000000  50.41157 17.50830 ?        ?        
0.000000       17.50830 
1 1 1 -6  33 5  o 235.6425 3.970735 565.5977       19.02725  565.5977       
19.02725  0.000000       0.000000  235.6425 3.970735 ?        ?        
0.000000       3.970735 
1 1 1 -6  33 6  o 100.9152 4.845184 103.8356       9.943024  103.8356       
9.943024  0.000000       0.000000  100.9152 4.845184 ?        ?        
0.000000       4.845184 
1 1 1 -6  33 7  o 208.6655 3.998163 443.6079       16.96534  452.0077       
23.53139  434.5156       24.48207  210.4427 5.498728 206.2809 5.836301 
4.161789       8.018629 
1 1 1 -6  33 8  o 150.4171 5.608147 231.0289       17.15410  261.1135       
31.97867  218.8747       20.32599  158.8894 9.947356 146.2562 6.834171 
12.63321       12.06879 
1 1 1 -6  33 9  o 105.1809 7.500119 113.9734       15.93682  121.9885       
20.25525  100.9486       25.82078  108.4707 9.271856 97.53744 13.36992 
10.93325       16.27029 
1 1 1 -6  33 10 o 91.07510 7.276386 85.57552       13.36367  91.70049       
20.21061  80.81722       17.81367  93.51098 10.82872 87.88144 10.15492 
5.629539       14.84532 
1 1 1 -6  33 11 o 82.17548 7.361876 69.83637       12.17178  58.69900       
16.06111  84.86295       18.65581  74.48237 10.92910 89.96675 10.38816 
-15.48438      15.07843 
1 1 1 -6  33 12 o 164.7998 4.849385 277.3443       16.25155  283.3295       
22.69962  271.0504       23.27760  166.2387 6.714829 162.5293 7.042957 
3.709427       9.730990 
1 1 1 -6  33 13 o 134.0190 5.518404 183.7416       15.03942  187.9403       
20.98585  179.3084       21.56384  134.9468 7.679127 131.6940 8.091266 
3.252853       11.15516 
1 1 1 -6  33 14 o 39.84271 13.46250 15.85854       12.95612  -3.793702      
18.32711  35.49196       18.31833  32.41832 14.28444 56.65350 15.46650 
-24.23518      21.05369 
1 1 1 -6  33 15 o 89.10796 9.204216 83.18961       16.43813  111.0217       
21.02382  39.41170       26.36733  102.7555 10.19593 59.75039 19.16031 
43.00512       21.70425 
1 1 1 -6  33 16 f 66.43747 10.96872 47.35739       14.30187  56.68361       
19.95365  37.50424       20.50959  71.74535 14.17927 57.90195 16.57567 
13.84339       21.81294 
1 1 1 -6  33 17 o 108.9524 7.638337 123.2075       16.81636  135.0576       
23.25605  110.2216       24.34515  113.2160 10.21118 101.4899 12.03029 
11.72604       15.77961 
1 1 1 -6  33 18 o 171.6775 6.822710 304.1374       23.81890  317.0078       
41.10476  297.6309       29.22582  172.4275 11.79368 168.9327 8.535146 
3.494766       14.55814 
1 1 1 -6  33 19 o 73.80335 14.33461 61.50733       20.73818  35.02619       
39.40042  71.65487       24.39006  58.26244 22.83694 79.06904 15.72250 
-20.80660      27.72585 
1 1 1 -6  33 20 o 35.52748 14.72150 6.887662       17.41004  7.572920       
24.67007  6.207773       24.57325  40.39676 17.17767 39.79584 17.03820 
0.6009254      24.19448 
1 1 1 -6  33 21 o 57.39222 14.39066 39.64718       16.76434  58.61249       
25.00525  24.16267       22.59435  67.42390 17.92770 46.27102 17.50928 
21.15287       25.05948 
1 1 1 -6  34 1  f 79.22148 10.84466 65.95380       17.01202  68.75168       
23.72547  62.99307       24.40621  79.79572 15.17583 76.03132 16.27662 
3.764397       22.25386 
1 1 1 -6  34 2  o 204.7413 8.986929 430.6742       37.41693  430.6742       
37.41693  0.000000       0.000000  204.7413 8.986929 ?        ?        
0.000000       8.986929 
1 1 1 -6  34 3  o 153.5190 9.416057 243.2286       29.25364  243.2286       
29.25364  0.000000       0.000000  153.5190 9.416057 ?        ?        
0.000000       9.416057 
1 1 1 -6  34 4  o 51.01815 17.24608 25.92814       21.26210  25.92814       
21.26210  0.000000       0.000000  51.01815 17.24608 ?        ?        
0.000000       17.24608 
1 1 1 -6  34 5  f 137.2410 3.959147 191.9052       11.04935  191.9052       
11.04935  0.000000       0.000000  137.2410 3.959147 ?        ?        
0.000000       3.959147 
1 1 1 -6  34 6  o 146.5082 3.898574 218.7011       11.61500  219.5697       
12.68001  214.1727       28.95362  146.7702 4.248449 143.8279 9.960707 
2.942261       10.82890 
1 1 1 -6  34 7  f 103.5957 5.424551 109.8816       11.38791  127.0200       
15.54488  90.02986       16.73024  111.1758 6.910037 93.14689 8.942382 
18.02894       11.30110 
1 1 1 -6  34 8  f 216.0063 4.977982 476.2227       21.86609  430.7899       
38.23128  498.3097       26.65642  204.5086 9.192969 220.7813 5.937289 
-16.27269      10.94359 
1 1 1 -6  34 9  o 184.7311 5.790515 348.8979       21.75247  347.3398       
28.27063  351.1588       34.05622  183.9625 7.557092 184.5911 9.072651 
-0.6286316     11.80774 
1 1 1 -6  34 10 o 184.0417 4.407667 345.5745       16.49592  323.5670       
22.33058  372.0095       24.47399  177.7924 6.176397 190.6087 6.314088 
-12.81624      8.832644 
1 1 1 -6  34 11 o 228.6192 4.339885 533.3219       20.17634  536.7258       
28.08393  529.6909       29.00570  228.9698 6.031541 227.4010 6.272482 
1.568771       8.701926 
1 1 1 -6  34 12 f 142.6932 5.286933 208.2062       15.34117  231.5388       
21.62564  184.5688       21.76643  150.1389 7.083116 133.6196 8.048162 
16.51924       10.72117 
1 1 1 -6  34 13 o 88.85857 7.383605 81.79002       13.22111  79.98495       
18.50639  83.67161       18.89459  86.99895 10.68521 89.01865 10.64910 
-2.019699      15.08566 
1 1 1 -6  34 14 o 58.75578 11.66932 37.42057       13.45111  42.44796       
18.87770  32.23565       19.17118  61.75710 15.14694 54.11137 16.17480 
7.645721       22.15974 
1 1 1 -6  34 15 o 56.93982 13.81350 35.89014       15.83113  51.82169       
20.11861  9.985065       25.65437  68.26496 14.91011 43.72688 17.96974 
24.53808       23.35001 
1 1 1 -6  34 16 o 77.29841 11.87852 64.37310       18.07422  68.18551       
21.58199  55.41996       33.07344  78.80801 13.97885 68.96488 21.37334 
9.843124       25.53875 
1 1 1 -6  34 17 o 150.9211 6.175242 234.2706       18.95202  232.7699       
26.01839  235.9668       27.66142  149.4064 8.599979 150.2105 9.098626 
-0.8041534     12.51977 
1 1 1 -6  34 18 o 93.52943 10.44747 93.44281       19.53108  158.1279       
34.27243  62.33213       23.76826  119.6641 14.37158 73.63704 16.30314 
46.02708       21.73326 
1 1 1 -6  34 19 o 91.12331 11.47463 90.60439       20.79127  94.76702       
39.75703  89.03743       24.39264  85.53895 22.53959 88.94016 13.94533 
-3.401215      26.50482 
1 1 1 -6  34 20 o 35.20509 14.61265 7.156611       17.19525  -15.86794      
24.17969  30.71468       24.45823  31.91110 14.93198 50.97707 18.40740 
-19.06598      23.70225 
1 1 1 -6  34 21 o 41.51844 15.31511 19.31164       17.06144  32.83429       
24.42164  6.419300       23.84570  50.61714 18.37576 37.95927 16.51966 
12.65787       24.70967 
1 1 1 -6  35 1  o 43.43735 15.29531 17.77305       16.78218  13.80949       
23.75954  21.71934       23.70772  45.10795 17.71758 49.31148 18.07408 
-4.203526      25.30977 
1 1 1 -6  35 2  o 45.97045 15.05075 21.52761       16.21995  27.80893       
23.42410  15.74147       22.48184  52.80889 18.10045 45.38170 17.39533 
7.427193       25.10426 
1 1 1 -6  35 3  o 125.5601 7.794230 162.3418       19.80275  151.9164       
27.94494  172.8578       28.06609  120.5331 11.54220 128.8475 10.81155 
-8.314484      15.81493 
1 1 1 -6  35 4  o 31.66536 13.53279 0.1082692      15.45178  5.351062       
22.72445  -4.400231      21.07309  40.39050 16.78452 34.93111 15.35677 
5.459393       22.74974 
1 1 1 -6  35 5  o 160.2454 3.542644 261.5898       11.54422  266.8369       
12.55553  232.8984       29.35971  161.8199 3.815500 149.9833 9.677902 
11.83664       10.40288 
1 1 1 -6  35 6  o 200.1495 3.672258 408.1794       14.94649  417.8839       
16.60005  366.6190       34.35279  202.4708 4.031770 188.7014 8.952314 
13.76933       9.818304 
1 1 1 -6  35 7  o 38.09484 10.12342 15.53232       7.976226  21.21580       
8.684497  -15.10961      20.16487  44.47705 9.860641 30.27062 13.98259 
14.20643       17.10979 
1 1 1 -6  35 8  o 97.88779 7.654464 99.00052       15.11555  122.3551       
28.56988  89.92188       17.81284  107.2892 13.38609 92.83627 9.572825 
14.45291       16.45681 
1 1 1 -6  35 9  o 267.0591 5.728366 729.5483       31.10926  697.9774       
40.74080  773.6995       48.17900  260.5902 7.688117 273.9706 8.647734 
-13.38043      11.57110 
1 1 1 -6  35 10 o 34.63201 12.30192 11.00514       10.87905  9.654842       
14.49380  12.74761       16.46454  36.23158 13.94781 39.65508 14.96083 
-3.423500      20.45404 
1 1 1 -6  35 11 o 145.7395 5.112484 217.1395       15.15167  238.1428       
21.26766  195.4918       21.59141  152.2933 6.867322 137.5909 7.748384 
14.70238       10.35363 
1 1 1 -6  35 12 o 52.48300 15.59505 30.09841       17.86080  0.000000       
0.000000  30.09841       17.86080  ?        ?        52.48300 15.59505 
0.000000       15.59505 
1 1 1 -6  35 13 o 152.5624 5.261140 238.2565       16.32221  247.6631       
22.72078  228.2250       23.46330  155.0896 7.204254 148.5258 7.795718 
6.563843       10.61482 
1 1 1 -6  35 14 o 121.5358 6.230278 152.1059       15.34619  143.6646       
21.49561  160.8807       21.91609  117.2715 9.084647 124.2609 8.728529 
-6.989426      12.59833 
1 1 1 -6  35 15 o 65.79382 12.69914 47.36109       16.37526  51.96873       
20.42785  39.07713       27.39066  68.15427 15.13356 59.27160 19.56588 
8.882671       24.73557 
1 1 1 -6  35 16 o 170.4359 6.664073 299.2647       23.09683  293.3698       
27.27145  314.2204       43.43835  168.2767 7.969533 171.4232 12.54818 
-3.146469      14.86507 
1 1 1 -6  35 17 o 77.93716 10.43530 65.02814       16.12350  60.25124       
22.22365  70.33688       23.42814  72.92593 15.46543 79.10646 15.11489 
-6.180534      21.62497 
1 1 1 -6  35 18 o 97.81854 10.03247 102.2282       19.67391  115.5383       
33.12304  94.97293       24.45509  99.97395 16.89469 92.56094 13.38080 
7.413017       21.55171 
1 1 1 -6  35 19 o 43.08710 16.51225 17.82407       20.25448  -16.04361      
37.27935  32.00878       24.12603  40.47385 18.80565 52.36197 18.34569 
-11.88812      26.27198 
1 1 1 -6  35 20 o 41.32697 15.33747 18.29212       17.16298  28.89311       
24.53534  8.134160       24.01719  49.21398 18.32350 39.23943 16.82333 
9.974556       24.87519 
1 1 1 -6  35 21 o 47.58767 15.44886 28.62354       17.10282  26.80425       
24.80093  30.27323       23.61658  46.63686 18.16313 48.37595 17.98393 
-1.739098      25.56015 
1 1 1 -6  36 1  o 112.3918 8.098946 130.5654       18.38629  128.2649       
24.78029  133.3829       27.42459  110.5846 11.17269 112.4717 12.18561 
-1.887047      16.53234 
1 1 1 -6  36 2  o 145.3973 6.790781 216.6488       20.07832  258.6481       
28.84712  177.1829       27.96355  158.1509 9.007004 130.3389 10.64324 
27.81197       13.94291 
1 1 1 -6  36 3  o 214.9661 6.101049 472.8238       26.67018  444.1343       
37.67928  501.6294       37.75550  207.6000 8.925320 220.7942 8.408937 
-13.19423      12.26261 
1 1 1 -6  36 4  o 129.2121 7.142446 171.7422       18.69443  191.2719       
27.23240  154.3362       25.70913  135.6722 9.939788 121.6397 10.49626 
14.03251       14.45582 
1 1 1 -6  36 5  o 74.04223 4.763257 56.19021       7.133851  59.52371       
7.462579  20.83419       24.30360  76.20593 4.840694 48.94862 18.23438 
27.25731       18.86597 
1 1 1 -6  36 6  o 114.9701 4.208326 134.8234       9.838878  133.9123       
10.55719  140.8429       27.13711  114.5521 4.532043 115.7430 11.68988 
-1.190941      12.53765 
1 1 1 -6  36 7  o 166.1903 3.928096 281.6296       13.27514  294.0689       
14.88605  233.3069       29.33984  169.7711 4.311858 149.8824 9.677922 
19.88870       10.59501 
1 1 1 -6  36 8  o 188.8973 6.300984 365.6095       24.20391  0.000000       
0.000000  365.6095       24.20391  ?        ?        188.8973 6.300984 
0.000000       6.300984 
1 1 1 -6  36 9  o 94.12556 7.174790 91.54068       13.62965  88.49130       
15.83082  100.2762       26.79423  92.22979 8.537593 96.49185 14.06912 
-4.262062      16.45693 
1 1 1 -6  36 10 o 85.05481 7.180296 74.88744       12.30308  105.9192       
16.52304  36.27382       18.43134  101.0365 8.110279 57.27490 15.46349 
43.76163       17.46128 
1 1 1 -6  36 11 o 246.8731 4.383893 622.4369       22.00823  638.4270       
30.94770  606.0764       31.30404  249.5079 6.099477 243.0228 6.334349 
6.485123       8.793612 
1 1 1 -6  36 12 o 203.3605 4.626129 422.7312       19.13091  414.2453       
26.78569  431.5675       27.33301  200.7713 6.560694 204.9266 6.559001 
-4.155334      9.277026 
1 1 1 -6  36 13 o 137.5197 5.689346 193.9593       15.91031  200.2000       
21.95855  187.0621       23.08484  138.9807 7.801122 134.0859 8.510371 
4.894852       11.54487 
1 1 1 -6  36 14 o 98.03631 7.629505 99.91757       15.09040  119.3308       
20.89400  78.74920       21.81807  106.4836 9.757630 85.13535 13.01592 
21.34828       16.26732 
1 1 1 -6  36 15 o 138.8643 6.859909 198.8436       19.37138  228.6261       
24.71891  151.4427       31.18471  148.2324 8.232808 118.3751 13.17847 
29.85725       15.53870 
1 1 1 -6  36 16 o 125.4431 8.207867 164.1869       20.82223  159.7444       
24.17554  176.9516       40.97992  123.0921 9.737663 125.6954 16.42527 
-2.603310      19.09481 
1 1 1 -6  36 17 o 46.50240 14.97890 23.76058       16.10097  21.40446       
22.72063  26.13738       22.82010  47.00587 17.60690 49.76806 17.80226 
-2.762188      25.03843 
1 1 1 -6  36 18 f 30.16973 13.36736 -2.776426      16.26812  -6.623585      
22.85526  1.174346       23.16098  34.20470 15.44594 37.21309 16.23588 
-3.008396      22.40939 
1 1 1 -6  36 19 o 56.95819 16.82904 39.96888       20.84507  57.92905       
39.18008  32.87796       24.61850  64.48351 23.29565 52.18293 18.50906 
12.30058       29.75353 
1 1 1 -6  36 20 o 94.77724 9.705241 99.02214       18.44136  129.3439       
26.77015  71.63735       25.44064  105.6629 12.71401 74.57697 17.13530 
31.08597       21.33693 
1 1 1 -6  37 1  o 158.2854 6.839731 257.1208       22.01563  268.5875       
31.51200  246.1872       30.77085  160.7570 9.684716 153.8115 9.890268 
6.945480       13.84237 
1 1 1 -6  37 2  o 225.1048 5.969704 518.8041       27.32681  488.1558       
38.03141  551.5166       39.29127  217.5486 8.596756 231.3287 8.352472 
-13.78012      11.98616 
1 1 1 -6  37 3  o 163.2235 6.661882 273.2126       22.11215  287.7708       
32.18194  260.1931       30.43384  166.5132 9.543927 158.3242 9.496622 
8.188965       13.46374 
1 1 1 -6  37 4  o 205.2486 6.148644 431.4767       25.66322  454.8047       
38.19116  412.2709       34.65283  209.8710 8.948682 199.9589 8.522096 
9.912033       12.35739 
1 1 1 -6  37 5  o 161.1915 3.579813 264.8504       11.73421  267.0920       
12.65108  251.0454       31.39520  161.8410 3.844038 155.3094 9.993693 
6.531631       10.70750 
1 1 1 -6  37 6  o 17.06670 7.942549 -6.037872      6.692708  -4.438844      
7.094956  -18.95229      20.16318  18.61971 8.485914 29.00352 13.59182 
-10.38381      16.02337 
1 1 1 -6  37 7  o 138.9373 4.491749 197.0976       12.69070  194.0336       
14.22856  209.0178       28.06449  137.7728 5.078622 141.6475 9.803375 
-3.874725      11.04077 
1 1 1 -6  37 8  o 49.86988 10.65316 26.84465       10.47548  17.84716       
13.44685  40.73492       16.70764  41.72205 13.70602 60.91922 13.80596 
-19.19717      19.45403 
1 1 1 -6  37 9  o 159.8841 5.330188 261.5941       17.33003  272.8456       
20.47903  233.2126       32.52553  163.1075 6.174247 149.1256 10.79869 
13.98192       12.43917 
1 1 1 -6  37 10 o 134.8028 5.241041 185.9859       14.36706  177.9037       
19.15823  196.3720       21.71782  131.2685 7.204558 137.7615 7.784274 
-6.493057      10.60663 
1 1 1 -6  37 11 o 168.1333 4.843825 289.1605       16.56127  276.4642       
22.45601  304.3011       24.52254  163.9427 6.735798 171.9147 7.014565 
-7.972031      9.724973 
1 1 1 -6  37 12 o 114.6507 6.163146 135.4293       14.31641  121.8182       
19.38481  151.7614       21.23426  107.9380 8.911204 120.6198 8.715668 
-12.68176      12.46485 
1 1 1 -6  37 13 o 48.72436 12.93560 26.21781       13.03129  6.826434       
17.76121  48.82700       19.17832  36.66960 14.99701 66.08870 14.65449 
-29.41910      20.96817 
1 1 1 -6  37 14 o 83.47832 8.923327 73.35896       14.91323  79.21068       
20.58066  66.88921       21.64018  85.59108 12.16691 77.69818 14.22019 
7.892899       18.71490 
1 1 1 -6  37 15 o 88.98333 9.888253 84.00161       17.59026  91.72287       
21.93340  70.08379       29.44743  92.17213 11.98544 77.23529 18.90259 
14.93684       22.38211 
1 1 1 -6  37 16 o 77.14993 12.50868 65.32425       18.95252  69.10589       
21.57928  52.56581       39.63655  78.71416 13.99410 66.25790 23.48729 
12.45626       27.34022 
1 1 1 -6  37 17 o 61.02084 13.92951 42.46006       16.90429  42.49018       
23.81920  42.42950       23.99430  59.68533 18.07197 59.63057 18.15682 
0.5475998E-01  25.61769 
1 1 1 -6  37 18 o 45.76135 17.85465 20.38459       23.99927  0.000000       
0.000000  20.38459       23.99927  ?        ?        45.76135 17.85465 
0.000000       17.85465 
1 1 1 -6  37 19 o 49.91484 16.82249 30.74662       20.22988  54.90559       
36.70107  20.20296       24.24573  61.73204 22.50897 44.54755 17.77007 
17.18449       28.67803 
1 1 1 -6  37 20 o 32.28509 13.93533 4.175945       16.69192  49.74139       
24.29268  -36.57809      22.97434  59.79774 18.28231 25.61806 12.60053 
34.17969       22.20397 
1 1 1 -6  38 1  o 78.54372 16.15939 68.48076       24.94889  0.000000       
0.000000  68.48076       24.94889  ?        ?        78.54372 16.15939 
0.000000       16.15939 
1 1 1 -6  38 2  o 166.9144 6.722154 286.0949       22.81674  257.4626       
31.48032  317.7826       33.11739  157.1489 9.901542 174.8788 9.346367 
-17.72997      13.61599 
1 1 1 -6  38 3  o 45.71549 14.24008 22.20887       14.66010  13.67249       
20.26533  31.58047       21.23359  42.49597 16.45518 54.10637 17.17773 
-11.61040      23.78755 
1 1 1 -6  38 4  o 49.82784 13.86583 27.10872       14.56428  30.11477       
20.95942  24.30194       20.25277  53.05419 17.09014 48.97134 16.82826 
4.082848       23.98465 
1 1 1 -6  38 5  o 198.5222 3.484269 401.7950       14.06605  402.1199       
15.40427  400.1647       34.50298  198.5495 3.815232 196.7730 8.622627 
1.776489       9.428982 
1 1 1 -6  38 6  o 68.27684 6.042049 48.15358       8.302359  47.52184       
8.841413  52.86559       24.14648  67.74100 6.498016 68.54192 17.31751 
-0.8009186     18.49650 
1 1 1 -6  38 7  f 59.06742 7.870749 36.58959       9.218706  39.75225       
10.06691  20.15870       22.94563  61.51973 8.255197 47.48328 17.71189 
14.03645       19.54122 
1 1 1 -6  38 8  o 81.11252 7.172348 68.23423       11.70850  63.82791       
13.45811  81.95293       23.74666  78.08490 8.619159 86.83734 13.91766 
-8.752441      16.37044 
1 1 1 -6  38 9  o 141.4641 5.546977 205.0625       15.95711  206.3315       
18.96673  201.9883       29.52092  141.6775 6.583245 138.6371 10.55045 
3.040405       12.43588 
1 1 1 -6  38 10 o 67.91058 8.803004 48.60804       11.87078  66.82201       
15.71282  24.38938       18.11869  79.45442 9.942572 48.05413 15.91578 
31.40030       18.76610 
1 1 1 -6  38 11 o 105.2845 6.367968 114.4140       13.56965  129.4086       
18.33666  96.26094       20.17565  111.4837 8.144670 95.25526 10.59519 
16.22844       13.36390 
1 1 1 -6  38 12 f 99.87532 6.972048 103.3979       14.07139  111.7004       
19.31009  93.99741       20.54738  103.0772 9.312930 93.88318 10.96942 
9.193985       14.38954 
1 1 1 -6  38 13 o 57.08777 12.01026 35.82889       13.50102  17.85304       
18.15897  58.04751       20.18855  43.31807 15.82715 72.17937 14.26012 
-28.86130      21.30375 
1 1 1 -6  38 14 o 62.55590 11.84181 42.84764       14.51229  31.97727       
19.87143  55.27185       21.24424  53.35450 16.57235 69.84125 15.37460 
-16.48674      22.60577 
1 1 1 -6  38 15 o 76.81510 11.77643 64.22514       17.80879  88.13891       
22.39814  23.12294       29.36436  89.82689 12.60910 50.59752 19.74751 
39.22937       23.42976 
1 1 1 -6  38 16 o 41.72355 14.56649 18.01778       15.20350  38.73912       
20.74148  -6.043327      22.35057  57.56488 16.72459 34.24299 15.38615 
23.32189       22.72544 
1 1 1 -6  38 17 o 114.6429 9.168414 140.0806       21.19551  141.5865       
35.29844  139.2314       26.50597  110.1744 16.24243 112.6752 11.74058 
-2.500816      20.04140 
1 1 1 -6  38 18 o 109.2141 8.477779 127.5037       18.68080  131.6044       
25.89271  123.0520       26.97798  108.4552 11.93787 103.9464 13.05056 
4.508736       17.68700 
1 1 1 -6  38 19 o 43.34162 16.50492 21.44152       20.15671  29.03082       
38.38094  18.55114       23.68607  50.11173 21.36998 42.78523 17.38781 
7.326500       27.55017 
1 1 1 -6  38 20 o 28.03777 12.76667 -3.802880      16.01284  29.58387       
23.45855  -32.93164      21.91165  46.84809 17.81379 25.19647 12.37560 
21.65162       21.69070 
1 1 1 -6  39 1  o 136.3040 10.40574 195.0639       28.62457  0.000000       
0.000000  195.0639       28.62457  ?        ?        136.3040 10.40574 
0.000000       10.40574 
1 1 1 -6  39 2  o 61.32774 17.95734 42.31363       23.82887  0.000000       
0.000000  42.31363       23.82887  ?        ?        61.32774 17.95734 
0.000000       17.95734 
1 1 1 -6  39 3  o 179.7679 8.905557 334.9586       32.55552  0.000000       
0.000000  334.9586       32.55552  ?        ?        179.7679 8.905557 
0.000000       8.905557 
1 1 1 -6  39 4  o 160.0172 6.992326 263.4663       22.75306  299.5098       
34.82780  236.6283       30.05301  169.2191 10.16823 150.4660 9.876793 
18.75310       14.17547 
1 1 1 -6  39 5  o 19.21534 8.125086 0.3494078      5.468561  1.606670       
5.699021  -14.25950      19.42657  20.72497 8.487753 29.58021 13.68493 
-8.855244      16.10339 
1 1 1 -6  39 6  o 225.3319 4.049516 518.3948       18.55569  523.2855       
21.11141  501.7844       38.90654  226.2600 4.588367 220.0613 8.694160 
6.198700       9.830642 
1 1 1 -6  39 7  o 104.8165 5.151570 112.4776       10.98047  113.2269       
12.07496  108.8969       26.39446  104.9384 5.679624 100.4836 13.23950 
4.454727       14.40633 
1 1 1 -6  39 8  o 154.1414 4.939232 243.1707       15.48211  245.9410       
18.13712  235.7314       29.72155  154.8345 5.760351 150.0381 9.795082 
4.796432       11.36333 
1 1 1 -6  39 9  o 91.39535 7.208279 86.69010       13.28824  98.34386       
15.94461  60.19043       24.04371  97.11634 8.148990 72.87402 16.59611 
24.24232       18.48883 
1 1 1 -6  39 10 o 23.62706 10.76288 -6.511415      11.39605  -11.04527      
14.50689  0.7957835      18.41687  25.47722 11.80049 34.20691 14.70061 
-8.729692      18.85098 
1 1 1 -6  39 11 o 19.20990 9.345278 -19.78668      11.64162  -11.95217      
15.24218  -30.75595      18.03558  25.92627 12.03915 23.69215 11.54922 
2.234116       16.68309 
1 1 1 -6  39 12 o 62.15207 10.68378 41.78231       13.01633  50.15274       
17.76797  32.08722       19.12230  67.20210 13.47090 53.39510 16.19803 
13.80701       21.06754 
1 1 1 -6  39 13 o 129.3974 6.152191 172.4826       16.18851  160.8850       
22.26260  185.4960       23.58240  123.8043 8.902205 133.0397 8.765880 
-9.235359      12.49359 
1 1 1 -6  39 14 o 145.7582 6.035913 218.9140       17.89070  190.6572       
24.09646  253.6250       26.70699  134.7447 8.843142 155.6835 8.467734 
-20.93874      12.24352 
1 1 1 -6  39 15 o 111.5010 10.53750 133.1496       23.60961  133.1496       
23.60961  0.000000       0.000000  111.5010 10.53750 ?        ?        
0.000000       10.53750 
1 1 1 -6  39 16 o 35.04321 14.13249 8.144096       15.51661  8.795718       
21.48616  7.433843       22.43198  39.30473 16.32603 39.26537 16.52150 
0.3936005E-01  23.22712 
1 1 1 -6  39 17 o 36.85067 15.12131 9.028829       18.13211  14.07834       
30.40836  6.242860       22.58690  45.21372 19.14128 38.26963 16.35860 
6.944092       25.17920 
1 1 1 -6  39 18 o 30.96002 13.60125 0.4608723      16.50459  9.356339       
23.26349  -8.554175      23.41933  39.02749 16.64009 32.82023 15.12817 
6.207256       22.48898 
1 1 1 -6  39 19 o 27.90989 13.10275 -11.65864      18.88165  -6.355489      
37.86251  -13.41404      21.78365  39.49518 18.54574 29.58233 13.94564 
9.912851       23.20399 
1 1 1 -6  40 1  o 90.86750 14.38033 90.58829       25.68779  0.000000       
0.000000  90.58829       25.68779  ?        ?        90.86750 14.38033 
0.000000       14.38033 
1 1 1 -6  40 2  o 238.0054 8.547963 587.6011       41.37146  0.000000       
0.000000  587.6011       41.37146  ?        ?        238.0054 8.547963 
0.000000       8.547963 
1 1 1 -6  40 3  o 138.2058 10.50695 201.1297       29.30826  0.000000       
0.000000  201.1297       29.30826  ?        ?        138.2058 10.50695 
0.000000       10.50695 
1 1 1 -6  40 4  o 103.0660 12.64444 114.1795       25.94541  0.000000       
0.000000  114.1795       25.94541  ?        ?        103.0660 12.64444 
0.000000       12.64444 
1 1 1 -6  40 5  o 136.3075 3.900052 189.7097       10.81039  189.6118       
11.69162  190.2869       28.38313  136.2233 4.220578 134.4051 10.46723 
1.818237       11.28611 
1 1 1 -6  40 6  o 89.87516 5.099293 82.99411       9.281295  82.03750       
9.989648  89.03082       25.09472  89.27219 5.530008 90.15520 14.15423 
-0.8830185     15.19616 
1 1 1 -6  40 7  o 136.3779 4.243584 190.0997       11.76869  187.6720       
12.93525  201.7673       28.35743  135.4248 4.697052 138.4723 10.14107 
-3.047516      11.17603 
1 1 1 -6  40 8  o 56.53225 10.17367 34.43873       11.26560  43.34355       
13.00571  7.680090       22.54516  63.50397 10.43367 40.44174 16.75470 
23.06223       19.73782 
1 1 1 -6  40 9  o 74.92398 8.643294 59.14012       12.92740  50.35800       
15.34218  80.63953       24.00493  68.15005 11.47848 85.38014 14.33383 
-17.23009      18.36339 
1 1 1 -6  40 10 o 134.3894 5.452533 185.4494       14.90098  173.4382       
19.48009  202.3895       23.13424  129.2167 7.444969 139.3096 8.202447 
-10.09286      11.07735 
1 1 1 -6  40 11 o 94.83347 7.123941 93.55305       13.63793  80.65692       
17.94523  111.1848       20.98296  86.91241 10.35750 102.2707 10.22646 
-15.35827      14.55535 
1 1 1 -6  40 12 o 142.7111 5.775415 209.5883       16.76071  210.3510       
22.77063  208.6865       24.76066  142.0208 7.915929 141.1052 8.671137 
0.9155884      11.74098 
1 1 1 -6  40 13 o 159.6230 5.610066 262.1573       18.21021  242.5397       
25.03384  284.2035       26.53820  152.3606 8.109041 165.2460 7.897491 
-12.88541      11.31932 
1 1 1 -6  40 14 o 96.66791 8.225597 98.29638       16.01596  104.7662       
21.83490  90.76142       23.56375  98.52214 11.09138 90.56369 13.18172 
7.958450       17.22720 
1 1 1 -6  40 15 o 37.30849 15.44461 7.627090       19.13585  3.001795       
21.47247  25.47687       42.18214  36.79925 15.84475 54.55337 22.78543 
-17.75412      27.75305 
1 1 1 -6  40 16 o 39.23978 14.65606 15.05717       15.72110  1.033167       
21.45368  31.32161       23.10390  35.57200 15.57004 51.55544 17.95905 
-15.98344      23.76875 
1 1 1 -6  40 17 o 139.9621 7.708234 207.9490       21.85441  260.6203       
37.91398  181.7402       26.74458  151.8608 12.38515 128.7060 10.30488 
23.15480       16.11156 
1 1 1 -6  40 18 o 104.2509 8.776067 118.7595       18.43200  102.5636       
26.77070  133.3572       25.41563  91.20859 14.95178 107.6079 11.80870 
-16.39935      19.05259 
1 1 1 -6  40 19 f 31.62537 14.06736 1.891326       18.18840  -9.784922      
36.04458  5.880109       21.06728  37.12879 17.63194 34.80270 15.32613 
2.326084       23.36184 
1 1 1 -6  41 1  o 287.0181 6.123391 847.5400       35.73984  870.2941       
51.37208  826.1965       49.75428  289.0946 8.738476 281.7158 8.684959 
7.378815       12.32029 
1 1 1 -6  41 2  o 89.32836 13.16212 86.99411       23.19272  0.000000       
0.000000  86.99411       23.19272  ?        ?        89.32836 13.16212 
0.000000       13.16212 
1 1 1 -6  41 3  o 105.9009 11.56621 119.9436       24.50319  0.000000       
0.000000  119.9436       24.50319  ?        ?        105.9009 11.56621 
0.000000       11.56621 
1 1 1 -6  41 4  o 104.0253 12.28673 116.4950       25.48941  0.000000       
0.000000  116.4950       25.48941  ?        ?        104.0253 12.28673 
0.000000       12.28673 
1 1 1 -6  41 5  o 104.0976 4.155457 110.7734       8.796520  105.8852       
9.337996  149.2933       26.21336  101.7258 4.514098 118.5067 11.00305 
-16.78082      11.89303 
1 1 1 -6  41 6  o 36.53802 9.476954 14.47560       7.101185  16.41843       
7.560166  -0.8330964E-01 20.69559  38.86768 9.617525 35.62272 15.44611 
3.244961       18.19558 
1 1 1 -6  41 7  o 57.43518 7.576103 34.72446       8.632656  31.41572       
9.361754  53.51886       22.31208  54.26645 8.783647 68.41288 16.27469 
-14.14643      18.49373 
1 1 1 -6  41 8  o 70.26984 6.892991 51.47908       9.723008  56.00335       
10.65583  28.97959       23.76288  73.22630 7.251292 52.05085 18.20876 
21.17545       19.59949 
1 1 1 -6  41 9  o 36.36660 12.92270 12.75136       12.00575  17.16183       
14.28194  2.126971       22.16647  40.97608 14.12868 37.48819 16.11977 
3.487892       21.43517 
1 1 1 -6  41 10 o 68.20236 7.386021 48.77036       10.08014  37.81708       
11.73155  79.66850       19.70378  59.14421 10.11787 85.76658 11.59465 
-26.62236      15.38855 
1 1 1 -6  41 11 o 64.71249 10.52836 45.36209       13.37849  48.32860       
17.69590  41.40448       20.43932  65.58972 13.70887 59.78166 16.34438 
5.808060       21.33241 
1 1 1 -6  41 12 o 139.2871 6.022346 200.0916       17.05799  192.4185       
22.89592  209.6637       25.57273  135.4742 8.351658 141.1195 8.957674 
-5.645325      12.24705 
1 1 1 -6  41 13 f 123.9571 6.708082 159.6256       16.84621  152.0524       
22.68891  168.9300       25.14882  119.7581 9.391891 125.9856 9.895875 
-6.227425      13.64317 
1 1 1 -6  41 14 o 125.2072 6.746848 163.2268       17.11497  151.5615       
23.65362  176.0452       24.79515  119.0653 9.857917 128.5616 9.552526 
-9.496338      13.72695 
1 1 1 -6  41 15 o 101.7634 10.05705 111.9657       20.53966  115.6181       
23.77282  101.2105       40.79409  102.4335 11.61816 86.58177 22.83997 
15.85177       25.62510 
1 1 1 -6  41 16 o 67.91883 12.09040 52.50045       16.08661  72.61193       
22.45215  31.28560       23.05982  78.36030 14.62798 50.75977 17.92326 
27.60053       23.13485 
1 1 1 -6  41 17 o 22.86183 11.14953 -25.53874      16.86327  -43.71933      
26.55632  -13.25457      21.82914  27.22719 13.42191 30.10539 14.11903 
-2.878202      19.48062 
1 1 1 -6  41 18 o 26.89342 12.36836 -5.775759      15.53416  -4.090024      
22.45223  -7.323694      21.51498  32.40714 14.89134 30.84280 14.31575 
1.564339       20.65654 
1 1 1 -6  41 19 o 64.48336 14.74981 55.24394       18.92150  66.27480       
39.08709  51.86783       21.62405  57.46837 22.67625 59.73448 16.99241 
-2.266113      28.33644 
1 1 1 -6  42 1  o 81.54101 10.77526 71.44675       17.42949  45.04555       
23.91328  101.3670       25.45713  62.11649 17.93224 96.08401 13.39303 
-33.96751      22.38166 
1 1 1 -6  42 2  o 57.42705 14.17819 37.20109       16.45799  33.22965       
23.23726  41.19851       23.31314  54.46740 18.02349 59.65224 17.83801 
-5.184837      25.35825 
1 1 1 -6  42 3  o 137.5969 7.251376 196.5321       20.21829  238.7524       
28.63329  154.5486       28.55286  150.6799 9.391397 119.8910 11.86733 
30.78892       15.13379 
1 1 1 -6  42 4  o 113.9993 8.321548 135.9819       19.15786  132.9648       
27.99102  138.6408       26.27676  110.7150 12.66018 113.6728 11.52689 
-2.957771      17.12161 
1 1 1 -6  42 5  o 56.26811 5.718680 32.88490       6.452558  31.34853       
6.724187  50.75693       22.93398  54.83696 6.135099 66.16674 16.96458 
-11.32978      18.03985 
1 1 1 -6  42 6  o 148.0176 3.923201 223.9936       11.80879  222.7238       
12.80057  231.2480       30.59691  147.5236 4.266938 147.7420 10.24743 
-0.2183990     11.10030 
1 1 1 -6  42 7  o 91.66508 5.274305 86.58342       9.790050  78.30344       
10.49409  142.1542       27.18649  86.99222 5.968253 114.8234 11.81163 
-27.83119      13.23384 
1 1 1 -6  42 8  o 84.93755 6.049500 74.72923       10.38062  68.75621       
11.34077  105.5904       25.77816  81.21701 6.933053 97.97912 13.28022 
-16.76211      14.98104 
1 1 1 -6  42 9  o 129.2066 6.053441 172.1765       15.90518  181.0014       
19.11267  152.3003       28.68353  131.9272 7.150899 118.5515 12.06619 
13.37567       14.02599 
1 1 1 -6  42 10 o 39.74159 11.64432 17.31587       10.01663  10.42225       
11.22090  44.35928       22.22465  33.83983 12.42969 61.43402 17.14018 
-27.59419      21.17270 
1 1 1 -6  42 11 f 31.12855 12.65894 5.284151       12.56499  -5.160269      
16.70558  18.88967       19.06676  29.74047 13.33674 43.84920 16.18711 
-14.10872      20.97358 
1 1 1 -6  42 12 o 112.6617 7.027988 132.3176       16.02091  130.6743       
21.78267  134.2540       23.64581  110.6990 9.776934 111.8108 10.52347 
-1.111832      14.36425 
1 1 1 -6  42 13 o 30.91762 13.11422 2.518043       14.31767  -0.9750387     
19.26741  6.825532       21.39593  33.47964 14.70219 38.37130 16.13986 
-4.891666      21.83230 
1 1 1 -6  42 14 o 28.90577 12.79799 -2.304406      14.88528  4.123058       
20.30671  -9.768843      21.88357  36.14649 15.48253 32.16650 14.75149 
3.979988       21.38493 
1 1 1 -6  42 15 o 45.29866 15.89240 23.43745       18.10782  28.84679       
21.16393  8.659033       34.98148  49.25100 17.18672 44.83807 19.74708 
4.412933       26.17881 
1 1 1 -6  42 16 o 48.81672 14.39948 29.05314       15.27210  4.905706       
21.11032  55.56841       22.12113  35.91544 15.58657 66.09479 16.50748 
-30.17935      22.70327 
1 1 1 -6  42 17 o 70.41495 11.68510 58.09873       16.14545  100.7597       
23.79893  21.72269       21.97607  91.56385 13.15968 42.96308 16.98710 
48.60077       21.48811 
1 1 1 -6  42 18 o 97.25076 8.572126 105.3913       16.77909  135.6706       
26.33940  84.71152       21.76739  105.5039 12.52124 82.15721 13.49783 
23.34671       18.41122 
1 1 1 -6  43 1  o 80.29553 10.60417 69.51235       16.89126  48.68850       
22.37574  97.10045       25.75478  64.42953 16.87682 93.33997 14.00053 
-28.91045      21.92811 
1 1 1 -6  43 2  o 77.36215 11.40496 65.10677       17.40389  76.53751       
24.53037  53.52105       24.69612  82.06651 15.26065 67.23381 17.78771 
14.83270       23.43694 
1 1 1 -6  43 3  o 73.80965 10.76370 58.93018       15.68033  75.38291       
21.96187  41.82186       22.39515  82.32118 13.59367 59.76823 17.38248 
22.55296       22.06668 
1 1 1 -6  43 4  o 137.3372 7.432425 196.4621       20.68003  193.6193       
29.32468  199.2746       29.16790  134.5748 10.80678 136.6752 10.57690 
-2.100449      15.12142 
1 1 1 -6  43 5  o 99.15623 4.123159 100.6397       8.313838  104.0498       
8.892101  76.94945       23.43711  100.7861 4.338627 82.71823 14.45966 
18.06786       15.09654 
1 1 1 -6  43 6  o 117.9255 4.303861 142.4470       10.32090  136.8798       
11.09165  178.3794       28.17883  115.5114 4.721933 129.0560 10.83759 
-13.54465      11.82160 
1 1 1 -6  43 7  o 108.0544 4.820641 119.8455       10.59250  123.0108       
11.48598  101.8418       27.39300  109.3962 5.163149 95.19180 14.61840 
14.20436       15.50341 
1 1 1 -6  43 8  o 46.13974 10.40574 23.44950       9.530603  22.90384       
10.38797  26.35175       23.95738  45.40305 11.29682 49.92406 18.18862 
-4.521015      21.41131 
1 1 1 -6  43 9  o 67.19341 10.25982 48.91590       13.57452  47.38807       
16.10945  52.65732       25.20933  65.15189 12.61496 66.19523 18.17393 
-1.043335      22.12304 
1 1 1 -6  43 10 o 96.86047 6.150426 97.35487       12.05162  101.2733       
13.40881  80.88477       27.49048  98.60543 6.727270 83.04516 16.85446 
15.56027       18.14742 
1 1 1 -6  43 11 f 100.8451 6.096075 105.5313       12.44258  119.5667       
15.21119  77.14999       21.63046  107.0179 7.028728 83.03659 13.25566 
23.98129       15.00385 
1 1 1 -6  43 12 o 95.12810 8.033978 95.54220       15.39605  103.0361       
21.11791  87.03999       22.49378  97.38617 10.84790 88.27067 12.91316 
9.115501       16.86495 
1 1 1 -6  43 13 o 61.27148 12.58488 42.67811       15.15570  41.12561       
20.62002  44.50225       22.35130  58.30511 16.59581 60.29229 17.31674 
-1.987183      23.98521 
1 1 1 -6  43 14 o 39.25842 14.56480 15.68630       15.47463  24.96377       
21.08328  4.851258       22.78445  46.86744 17.06463 37.59041 16.25307 
9.277027       23.56616 
1 1 1 -6  43 15 o 35.80334 13.94474 11.80684       14.61931  37.83679       
20.49092  -15.17902      20.86378  54.46290 16.81423 29.06284 13.68467 
25.40006       21.67922 
1 1 1 -6  43 16 o 49.35523 15.45453 31.33967       17.24190  3.621265       
27.55250  49.18116       22.10509  37.97449 17.07104 60.33144 17.18668 
-22.35695      24.22400 
1 1 1 -6  43 17 o 34.97000 13.94657 12.50286       14.93159  -9.554276      
22.27461  30.50280       20.12200  30.29779 14.22623 46.80210 16.71935 
-16.50431      21.95273 
1 1 1 -6  43 18 o 48.90912 14.55766 33.00109       15.55387  5.819077       
23.91428  52.93004       20.47664  34.73217 15.73132 60.41552 16.29366 
-25.68335      22.64857 
1 1 1 -6  44 1  o 114.9111 8.296445 139.0446       19.25643  155.5350       
27.46599  123.1028       27.00526  119.7876 11.41344 105.6031 12.83954 
14.18453       17.17907 
1 1 1 -6  44 2  o 50.13265 14.80434 28.73680       16.13491  57.73641       
23.02872  0.7738757      22.61336  70.09071 16.44095 36.82870 16.05617 
33.26201       22.98055 
1 1 1 -6  44 3  f 33.25682 13.61797 5.962325       14.66748  23.52681       
19.97302  -14.59815      21.60939  46.96392 16.67008 30.83273 14.32328 
16.13119       21.97835 
1 1 1 -6  44 4  o 108.9970 8.401638 125.1966       18.47853  96.58586       
24.97793  159.7855       27.46376  93.02686 13.60595 121.6093 11.23252 
-28.58244      17.64345 
1 1 1 -6  44 5  o 116.3835 3.918196 138.6551       9.273187  140.0130       
9.882839  128.6560       26.81741  116.9026 4.157249 108.3165 12.39838 
8.586151       13.07679 
1 1 1 -6  44 6  o 78.55378 5.550676 63.90763       8.809671  65.16270       
9.433034  55.34201       24.64315  79.23345 5.896744 67.93896 17.67035 
11.29449       18.62828 
1 1 1 -6  44 7  o 105.2664 4.951839 113.9217       10.60005  118.6067       
11.64895  91.36508       25.56060  107.3135 5.338033 89.79557 14.49134 
17.51788       15.44324 
1 1 1 -6  44 8  o 154.3293 4.416521 244.3523       13.86054  246.6737       
15.37263  234.2634       32.04803  154.9078 4.880041 147.5668 10.75376 
7.340942       11.80924 
1 1 1 -6  44 9  o 120.2569 6.728237 150.6164       16.38767  153.3799       
19.89191  144.7787       28.91114  120.6950 8.152474 114.5708 12.61831 
6.124237       15.02280 
1 1 1 -6  44 10 o 23.19016 10.52229 -5.152275      10.75638  -17.76669      
11.95465  48.47796       24.64951  20.00784 9.670731 63.01030 18.21080 
-43.00246      20.61932 
1 1 1 -6  44 11 o 38.31628 12.93724 15.66046       11.96475  28.36447       
13.62633  -27.10918      25.00209  49.70663 13.24253 30.12834 14.41236 
19.57829       19.57244 
1 1 1 -6  44 12 o 35.16678 13.82343 9.970956       14.47347  7.748394       
19.39667  12.76308       21.74041  37.09605 15.46882 40.86323 16.63834 
-3.767181      22.71825 
1 1 1 -6  44 13 o 70.44373 11.27964 55.57612       15.61285  36.25114       
21.66325  76.46281       22.52158  54.03929 17.37129 80.85905 14.21569 
-26.81976      22.44655 
1 1 1 -6  44 14 o 35.53788 14.61466 9.087014       16.98371  -1.193684      
20.75364  29.93113       29.55117  33.44458 14.94072 49.98376 19.71891 
-16.53918      24.73986 
1 1 1 -6  44 15 o 38.52775 14.13619 16.62771       14.50786  46.63536       
21.42745  -8.772490      19.71393  59.15437 16.94495 29.59293 13.72424 
29.56144       21.80564 
1 1 1 -6  44 16 f 76.28308 11.55553 68.87459       17.36410  116.7274       
28.71270  41.28230       21.80289  94.85883 15.41404 53.59777 17.44504 
41.26106       23.27922 
1 1 1 -6  44 17 o 21.76349 10.52980 -16.69669      14.26178  -59.87344      
21.64535  16.42790       18.95898  20.64403 10.44668 37.58040 15.44632 
-16.93637      18.64730 
1 1 1 -6  45 1  o 92.50462 10.15160 92.36433       18.78243  124.6717       
26.49709  59.73664       26.62813  106.1186 12.51984 69.65640 18.49034 
36.46221       22.33023 
1 1 1 -6  45 2  o 29.27179 13.16951 -5.190449      16.43664  25.32016       
22.91374  -37.53101      23.59089  48.50230 17.77015 26.96169 13.15744 
21.54061       22.11101 
1 1 1 -6  45 3  o 94.33942 9.805346 95.59022       18.53598  130.1437       
26.55882  62.77548       25.88196  108.7125 12.22582 71.95842 17.78850 
36.75409       21.58475 
1 1 1 -6  45 4  o 91.33282 9.795035 89.63354       17.90821  94.96266       
24.77381  83.80129       25.91691  91.81909 13.68625 84.98244 15.57075 
6.836647       20.73069 
1 1 1 -6  45 5  o 121.1731 3.924162 150.4150       9.669518  156.5246       
10.37707  110.1411       26.64275  123.5599 4.129960 99.04198 13.58646 
24.51794       14.20030 
1 1 1 -6  45 6  o 67.55129 6.250297 47.66795       8.488579  45.78286       
9.075088  60.85394       24.00164  66.01067 6.860835 71.35784 16.81602 
-5.347168      18.16176 
1 1 1 -6  45 7  o 86.37139 5.784557 77.44407       10.10123  71.66398       
10.88228  113.4293       27.15284  82.84201 6.512280 100.3990 13.65361 
-17.55702      15.12716 
1 1 1 -6  45 8  o 79.82624 6.628616 66.65770       10.66286  70.18819       
11.70005  49.35186       25.90396  81.75785 7.108049 63.13096 18.78605 
18.62689       20.08581 
1 1 1 -6  45 9  o 116.4782 6.812872 141.7450       16.06683  171.0392       
19.71544  83.82255       27.72294  127.5577 7.635710 83.76659 16.85849 
43.79107       18.50710 
1 1 1 -6  45 10 o 81.30195 7.477806 69.80489       12.22450  75.65009       
13.70625  47.07114       27.03055  84.40484 8.084362 61.07209 19.38039 
23.33274       20.99896 
1 1 1 -6  45 11 o 107.9371 6.265936 121.6058       13.69415  123.1410       
15.47551  116.0651       29.39947  108.2395 7.069678 99.73881 14.95630 
8.500717       16.54302 
1 1 1 -6  45 12 o 30.38296 12.08401 6.762934       11.18145  4.212170       
13.53998  12.23250       19.82710  30.68538 12.86961 39.11193 15.90323 
-8.426546      20.45824 
1 1 1 -6  45 13 o 28.77040 13.11400 -5.842831      16.95214  -24.42629      
31.74940  1.567736       20.04924  34.19269 16.32453 33.97539 14.95684 
0.2173004      22.14040 
1 1 1 -6  45 14 o 37.57572 14.42509 14.74768       15.47437  24.01893       
20.47359  2.394228       23.63301  44.51468 16.70577 35.84017 15.98208 
8.674507       23.11946 
1 1 1 -6  45 15 o 52.41933 13.58562 34.76320       14.60066  63.88672       
21.24115  8.677735       20.10275  69.91282 15.36025 35.55639 15.32027 
34.35643       21.69442 
1 1 1 -6  45 16 o 26.49741 12.31399 -6.155001      15.99619  23.69620       
27.72701  -21.04704      19.58391  42.27333 18.09873 25.19998 12.22725 
17.07335       21.84193 
1 1 1 -6  45 17 f 39.99059 14.28752 22.24279       14.69456  33.02668       
22.12473  13.73113       19.65610  45.07961 17.26205 35.49375 15.21850 
9.585865       23.01263 
1 1 1 -6  46 1  o 110.0962 8.499790 128.7767       18.88237  110.0316       
25.14947  152.9964       28.58702  99.10403 12.77673 117.5527 12.13321 
-18.44868      17.61987 
1 1 1 -6  46 2  o 31.20564 13.54399 0.6134139      15.94318  4.591756       
20.45275  -5.547769      25.45263  36.44579 15.57247 36.08199 16.29625 
0.3637924      22.54040 
1 1 1 -6  46 3  o 96.82445 9.447089 100.6942       18.36395  68.63999       
26.21436  131.5831       25.73342  75.02454 17.50286 109.2735 11.76611 
-34.24891      21.09008 
1 1 1 -6  46 4  o 33.54351 14.13676 4.478529       16.46654  -11.35333      
22.87214  21.51412       23.72573  32.45644 14.95684 46.31765 17.84118 
-13.86121      23.28121 
1 1 1 -6  46 5  o 97.78625 4.388674 98.23283       8.726952  105.3614       
9.255353  41.09579       26.20300  101.2466 4.495323 57.70837 19.14119 
43.53827       19.66197 
1 1 1 -6  46 6  o 49.00029 8.394559 25.97242       8.063735  28.89204       
8.564921  3.193035       23.92387  51.72691 8.433050 38.11545 16.56709 
13.61146       18.58991 
1 1 1 -6  46 7  o 184.2237 4.128844 348.3195       15.46769  350.5019       
17.08106  338.3766       36.45913  184.6157 4.549825 177.2088 10.15982 
7.406937       11.13207 
1 1 1 -6  46 8  o 59.70359 8.594973 38.42530       10.13435  41.27274       
11.32060  26.93472       22.74117  61.62083 9.325807 48.82652 17.73127 
12.79431       20.03418 
1 1 1 -6  46 9  o 42.19071 13.87284 20.02471       13.77499  27.34849       
16.76302  4.794994       24.17301  48.24166 15.25701 38.60011 16.71526 
9.641548       22.63132 
1 1 1 -6  46 10 o 129.0681 5.338297 172.4501       14.01112  170.6883       
15.84137  178.7804       30.02761  128.0672 6.082797 126.7151 11.78828 
1.352097       13.26514 
1 1 1 -6  46 11 o 62.95281 10.25811 44.10804       12.67982  32.86806       
14.23996  87.13664       27.86152  52.73321 13.28538 83.67619 16.95472 
-30.94298      21.53982 
1 1 1 -6  46 12 o 24.17499 11.03069 -5.305176      12.03291  4.166121       
13.56137  -40.36042      26.09007  30.35908 12.81381 27.55372 13.52746 
2.805357       18.63293 
1 1 1 -6  46 13 o 27.05751 12.53058 -8.144078      16.34851  33.90432       
35.17206  -19.73248      18.46439  50.50610 20.92593 25.51254 12.25197 
24.99356       24.24882 
1 1 1 -6  46 14 o 28.95120 12.80648 0.8443295      14.87209  10.54443       
19.98831  -11.18493      22.25908  36.35602 15.46081 30.09748 14.16060 
6.258545       20.96567 
1 1 1 -6  46 15 o 40.50546 14.17203 21.47532       14.39495  21.74073       
21.64420  21.26481       19.27604  40.89659 16.62100 40.42445 15.93285 
0.4721413      23.02419 
1 1 1 -6  46 16 o 23.50179 11.20117 -11.14455      14.81444  -9.512608      
25.34643  -11.99131      18.25766  30.54354 14.58330 25.90171 12.36982 
4.641825       19.12289 
1 1 1 -6  47 1  o 36.79937 14.72146 10.66044       16.68943  8.652862       
22.86179  12.95102       24.42003  39.34928 16.62436 42.00877 17.42344 
-2.659492      24.08206 
1 1 1 -6  47 2  o 39.10138 15.08273 14.19424       16.97500  -3.627253      
22.95076  35.71796       25.22223  34.72734 15.59843 53.96500 18.76624 
-19.23766      24.40251 
1 1 1 -6  47 3  o 88.56386 10.88652 86.34952       19.19353  85.39574       
27.12756  87.30558       27.15998  84.22010 16.42954 85.32541 16.24647 
-1.105309      23.10579 
1 1 1 -6  47 4  o 33.74163 14.37897 3.930904       17.35458  26.85150       
25.09596  -17.07552      24.02520  49.05963 18.47922 31.52019 14.79203 
17.53944       23.67035 
1 1 1 -6  47 5  o 33.95635 9.352397 12.73401       6.663529  16.76019       
6.970366  -29.99995      22.70887  38.94712 8.984068 27.45405 13.28403 
11.49307       16.03680 
1 1 1 -6  47 6  o 61.10123 6.986309 39.54235       8.524546  40.23809       
9.081898  34.39027       24.71424  61.49212 7.412231 53.09587 18.56994 
8.396244       19.99459 
1 1 1 -6  47 7  o 102.1854 5.371160 108.3608       11.12198  117.4586       
12.39160  70.66398       25.22391  106.2417 5.757117 75.90852 16.78631 
30.33321       17.74611 
1 1 1 -6  47 8  o 79.70914 6.771955 66.95722       10.87281  68.09386       
12.14519  62.36920       24.40084  80.05099 7.549987 70.68951 17.14963 
9.361488       18.73798 
1 1 1 -6  47 9  o 86.61788 7.097846 79.40215       12.39238  77.44007       
13.85955  87.22528       27.67467  85.02828 8.114045 83.95421 16.79670 
1.074074       18.65387 
1 1 1 -6  47 10 o 91.20731 6.786750 87.93066       12.49749  87.58652       
14.03398  89.24918       27.46993  90.54151 7.695157 84.61698 16.55716 
5.924530       18.25801 
1 1 1 -6  47 11 o 46.79697 12.89324 26.23019       12.66192  26.99777       
14.08175  22.98927       28.93531  47.11192 13.80718 46.14493 19.03794 
0.9669952      23.51769 
1 1 1 -6  47 12 o 91.53837 7.580047 90.34632       13.98302  84.78114       
15.51394  114.4428       32.28191  87.79707 8.808173 92.58920 17.79187 
-4.792137      19.85282 
1 1 1 -6  47 13 o 50.48581 13.27778 32.07460       13.81366  29.69404       
17.88962  35.58991       21.73916  47.02871 15.81971 50.07285 17.42181 
-3.044140      23.53258 
1 1 1 -6  47 14 o 43.73335 13.67353 25.22414       13.50263  27.64280       
20.34555  23.32028       18.05091  44.01783 16.62508 41.55740 15.66825 
2.460434       22.84486 
1 1 1 -6  47 15 o 36.34321 13.86745 17.06262       14.24711  26.01497       
21.81879  10.40833       18.81105  41.51460 16.75282 33.81702 14.69462 
7.697582       22.28428 
1 1 1 -6  47 16 o 26.04170 12.39219 -8.645174      17.98287  -10.82654      
21.85358  -4.070353      31.64796  27.71878 13.31615 32.88971 15.85688 
-5.170923      20.70654 
1 1 1 -6  48 1  o 86.04818 10.68716 82.13755       18.29790  77.07590       
25.70404  87.33788       26.05377  78.99593 16.53168 84.99817 15.65000 
-6.002243      22.76442 
1 1 1 -6  48 2  o 142.3146 7.963983 215.3783       22.95540  226.7679       
31.98889  203.2861       32.96059  143.1738 11.07322 134.3862 12.19392 
8.787552       16.47143 
1 1 1 -6  48 3  o 87.31385 10.94178 84.71738       19.00112  85.43050       
26.98398  84.01601       26.76070  83.48569 16.47935 82.77708 16.47710 
0.7086029      23.30373 
1 1 1 -6  48 4  o 67.35344 13.95691 53.51648       18.48792  66.52924       
26.69999  41.53058       25.62488  71.96512 18.22539 56.66896 18.93404 
15.29615       26.28046 
1 1 1 -6  48 5  o 57.97543 6.378426 35.50640       7.395476  37.08044       
7.762666  20.03921       24.33372  59.19811 6.558609 44.74375 17.81676 
14.45436       18.98558 
1 1 1 -6  48 6  o 66.53062 6.682767 46.82257       8.919044  44.52969       
9.524487  63.15694       25.42152  64.59171 7.383944 70.21973 17.78387 
-5.628021      19.25588 
1 1 1 -6  48 7  o 115.1960 5.105021 137.4650       11.95876  136.7456       
13.20913  140.7346       28.15906  114.6490 5.665684 110.8834 12.71824 
3.765617       13.92313 
1 1 1 -6  48 8  o 73.37414 7.495627 57.58630       11.02709  58.07800       
12.30909  55.58780       24.81580  73.22868 8.419141 64.92803 18.11069 
8.300652       19.97196 
1 1 1 -6  48 9  o 18.57927 9.045432 -17.43452      10.96437  -21.63851      
12.16366  0.7862403      25.32310  18.90363 9.271779 36.62909 16.42341 
-17.72546      18.85986 
1 1 1 -6  48 10 o 89.26160 7.093959 85.12348       12.77050  78.33598       
14.36686  110.6757       27.87539  84.76418 8.447378 94.75362 14.96359 
-9.989433      17.18334 
1 1 1 -6  48 11 o 69.97938 9.335056 54.82635       12.95302  39.73832       
14.26732  125.5860       30.89718  57.30493 12.58748 98.90366 15.90103 
-41.59873      20.28023 
1 1 1 -6  48 12 f 62.52333 10.57769 45.63677       12.96917  29.92604       
14.41209  112.5213       29.73662  48.12674 13.92927 91.27106 16.63454 
-43.14432      21.69637 
1 1 1 -6  48 13 o 30.99557 13.65182 4.354293       16.72247  4.354293       
16.72247  0.000000       0.000000  30.99557 13.65182 ?        ?        
0.000000       13.65182 
1 1 1 -6  48 14 o 31.28627 13.06017 9.313519       13.84747  22.11666       
21.26607  -0.1110372     18.24566  39.49048 16.30932 29.40630 13.47977 
10.08418       21.15888 
1 1 1 -6  48 15 o 28.54716 12.73215 4.056931       15.00576  46.54252       
27.62194  -13.73153      17.87321  47.55777 18.96821 24.60958 11.87790 
22.94819       22.38029 
1 1 1 -6  49 1  o 107.0876 9.229915 125.3088       19.90331  146.6290       
28.01842  103.5911       28.27844  112.8645 12.41285 91.60992 15.74725 
21.25459       20.05130 
1 1 1 -6  49 2  o 74.48582 13.20754 65.30656       19.27290  47.01311       
27.48245  83.00923       27.03504  58.40691 19.60785 80.76308 16.99910 
-22.35617      25.95066 
1 1 1 -6  49 3  o 73.89227 12.69581 63.59403       18.38958  55.41338       
27.94640  69.84144       24.42204  63.28081 19.65277 74.31223 16.58197 
-11.03142      25.71367 
1 1 1 -6  49 4  o 82.03128 12.04592 77.20625       19.49568  52.18122       
28.06442  100.5458       27.10283  61.30282 19.77879 90.95452 15.18907 
-29.65170      24.93809 
1 1 1 -6  49 5  o 33.62779 9.632607 12.69437       6.924389  12.25883       
7.221796  17.65807       24.37991  33.11390 9.934045 42.87062 17.55609 
-9.756725      20.17180 
1 1 1 -6  49 6  o 88.71572 5.572438 82.35213       10.00197  80.14319       
10.78413  95.94437       26.75083  87.26249 6.115886 88.26950 15.46680 
-1.007011      16.63207 
1 1 1 -6  49 7  o 62.17889 8.252704 42.17955       10.17715  47.40312       
11.17772  16.85897       24.60970  65.80875 8.554845 42.19845 17.49562 
23.61029       19.47516 
1 1 1 -6  49 8  o 98.54191 6.087992 102.4037       12.13987  96.91344       
13.40298  127.4828       28.64577  95.33215 6.961838 102.6496 14.09515 
-7.317436      15.72070 
1 1 1 -6  49 9  o 96.72979 6.434060 99.38938       12.58382  92.96877       
13.92584  127.9677       29.37997  92.87888 7.435492 101.5746 14.64713 
-8.695679      16.42635 
1 1 1 -6  49 10 o 21.01768 9.964262 -10.59750      11.41744  -2.160057      
12.57113  -50.33985      27.28322  25.63676 11.52727 26.07965 12.98516 
-0.4428806     17.36354 
1 1 1 -6  49 11 o 32.87891 12.57736 11.52990       11.73812  8.415891       
12.90999  26.38420       28.19631  31.30776 12.79293 44.20782 18.55794 
-12.90006      22.54010 
1 1 1 -6  49 12 o 39.92086 13.01741 20.73820       12.13794  20.85488       
13.60626  20.28342       26.86171  39.74658 13.78552 40.35764 17.54828 
-0.6110649     22.31553 
1 1 1 -6  49 13 o 60.17867 13.98873 49.88136       16.79377  49.88136       
16.79377  0.000000       0.000000  60.17867 13.98873 ?        ?        
0.000000       13.98873 
1 1 1 -6  49 14 o 24.42816 11.75374 -12.19524      17.18279  -8.876125      
20.72202  -19.50001      30.74142  27.37924 13.10349 29.71628 14.60833 
-2.337040      19.62408 
1 1 1 -6  50 1  o 59.79070 15.75017 46.55891       19.41678  59.69579       
27.61907  33.72135       27.30261  63.96786 19.48063 49.64986 19.13488 
14.31800       27.30638 
1 1 1 -6  50 2  o 48.18466 16.12160 30.06662       18.57792  24.82174       
27.07470  34.73332       25.53883  45.70789 18.58443 50.42532 18.71027 
-4.717426      26.37148 
1 1 1 -6  50 3  o 61.19312 15.04099 47.47484       18.58422  34.13852       
27.11449  59.29049       25.52186  50.15001 19.13199 65.26817 18.42358 
-15.11816      26.56053 
1 1 1 -6  50 4  o 108.7145 9.806402 131.6854       21.44610  103.2330       
31.93964  155.0451       28.94041  86.96817 18.62165 114.9062 12.59161 
-27.93798      22.47920 
1 1 1 -6  50 5  o 17.86563 8.209817 -4.121059      6.825493  -5.695541      
7.093728  15.52498       25.05781  17.45255 8.140442 41.17537 17.40064 
-23.72282      19.21065 
1 1 1 -6  50 6  o 75.56956 6.683237 61.01119       10.16446  64.13378       
11.04120  43.65869       26.02792  77.25235 7.108077 54.90279 19.06524 
22.34956       20.34719 
1 1 1 -6  50 7  o 107.5987 10.03926 130.6829       21.71275  105.4029       
32.63159  150.7680       29.08625  86.13981 19.12699 112.0325 13.00929 
-25.89266      23.13186 
1 1 1 -6  50 8  o 65.65323 15.51554 56.84684       20.38643  73.62341       
31.50844  44.76655       26.73710  67.87051 20.83308 54.16730 19.28091 
13.70322       28.38610 
1 1 1 -6  50 9  o 83.18790 12.72120 84.78936       20.83603  63.13740       
30.43606  103.8867       28.58422  61.45380 20.63460 87.12441 16.74206 
-25.67061      26.57223 
1 1 1 -6  50 10 o 36.54974 15.65666 12.76314       20.76939  -2.407111      
30.68109  25.59538       28.21796  35.45067 16.66193 43.10718 18.35176 
-7.656509      24.78723 
1 1 1 -6  50 11 o 91.10201 9.618166 96.87772       17.54915  68.61757       
21.33985  155.9171       30.84429  69.83145 15.43793 107.7885 14.43433 
-37.95704      21.13479 
1 1 1 -6  50 12 o 24.45561 11.92804 -19.85428      19.31455  -19.85428      
19.31455  0.000000       0.000000  24.45561 11.92804 ?        ?        
0.000000       11.92804 
1 1 1 -6  50 13 o 68.23718 11.41871 60.18950       15.28503  69.48863       
17.19132  25.09659       33.39625  72.48708 12.08838 38.39396 17.82597 
34.09312       21.53821 
1 1 1 -6  51 1  f 74.91582 13.66243 70.35585       20.04696  52.12048       
27.85793  89.94100       28.87054  57.17196 19.73140 79.04587 18.31882 
-21.87391      26.92410 
1 1 1 -6  51 2  o 77.39645 13.07472 73.57411       19.84500  78.53548       
28.68965  69.02245       27.47958  72.64352 19.14964 67.80478 19.10928 
4.838745       27.05315 
1 1 1 -6  51 3  o 55.21558 16.12615 41.74256       19.23876  53.95879       
28.52717  31.55121       26.05589  58.33356 19.97511 47.24559 18.55504 
11.08797       27.26344 
1 1 1 -6  51 4  o 31.59053 14.06397 1.822928       18.22008  -9.951965      
26.90471  11.79743       24.76256  33.00144 15.53947 38.54987 16.80433 
-5.548431      22.88800 
1 1 1 -6  51 5  f 51.90690 7.219416 29.47876       7.414092  29.54808       
7.781521  28.79627       24.41613  51.76814 7.619737 45.69308 17.95647 
6.075062       19.50628 
1 1 1 -6  51 6  o 41.17447 10.77798 20.31323       9.129859  10.32520       
9.784022  87.60178       25.39500  31.18267 11.57871 80.77425 16.02624 
-49.59157      19.77136 
1 1 1 -6  51 7  o 23.30925 10.33828 -0.6615356     9.754962  4.094487       
10.65513  -25.29503      24.24934  26.98595 11.37236 27.71335 13.48335 
-0.7274036     17.63891 
1 1 1 -6  51 8  o 64.27676 8.755192 46.91213       11.14609  47.03056       
12.27754  46.35698       26.58204  63.54506 9.817626 52.70810 19.16575 
10.83695       21.53397 
1 1 1 -6  51 9  o 88.92831 6.814680 86.33514       12.22981  92.17065       
13.51468  59.94913       28.73779  91.41216 7.331971 57.50705 20.02954 
33.90510       21.32933 
1 1 1 -6  51 10 o 95.45994 6.703322 99.94995       12.93006  93.01956       
14.23772  132.5642       30.88624  90.95267 7.772565 94.51687 16.67930 
-3.564201      18.40141 
1 1 1 -6  51 11 o 52.64742 11.49892 35.90910       11.96611  38.55346       
13.18925  23.60305       28.45241  53.70667 12.33621 38.75718 17.39092 
14.94949       21.32197 
1 1 1 -6  51 12 o 48.18232 12.80055 32.95049       12.75492  32.95049       
12.75492  0.000000       0.000000  48.18232 12.80055 ?        ?        
0.000000       12.80055 
1 1 1 -6  51 13 o 42.17234 13.76569 28.16870       13.57221  18.31220       
15.37135  63.03510       28.91041  34.39952 13.99667 49.63924 19.52909 
-15.23972      24.02690 
1 1 1 -6  52 1  o 28.76665 13.21913 -2.504136      17.69567  -5.177385      
25.86785  -0.1528095     24.26035  32.40549 15.25223 33.01392 15.28036 
-0.6084251     21.58981 
1 1 1 -6  52 2  o 79.68544 12.49284 79.22167       19.57828  71.72910       
29.08496  85.42966       26.47452  65.01105 20.02592 76.24213 17.45259 
-11.23108      26.56371 
1 1 1 -6  52 3  o 58.51344 15.92128 48.72117       19.44936  99.12914       
29.54793  10.18414       25.83548  81.13733 18.33949 36.99176 16.58718 
44.14557       24.72795 
1 1 1 -6  52 4  o 30.18491 13.65489 0.6377139      17.95399  14.74951       
26.93350  -10.64793      24.08602  38.74634 17.18203 30.36836 14.41911 
8.377977       22.43063 
1 1 1 -6  52 5  o 43.25821 8.580218 21.54351       7.281239  21.91774       
7.585718  17.16054       25.96047  43.46737 8.881886 39.18222 17.13948 
4.285156       19.30413 
1 1 1 -6  52 6  o 21.59727 9.684718 -1.418963      8.808455  -1.094323      
9.479342  -3.471970      23.83815  22.51452 10.07485 31.73993 14.84371 
-9.225414      17.93985 
1 1 1 -6  52 7  f 79.95654 6.861655 70.15815       11.04857  66.47375       
12.09888  88.65762       27.11071  76.97208 7.839069 75.62479 17.90588 
1.347290       19.54665 
1 1 1 -6  52 8  o 59.70192 9.065093 41.77818       10.65961  39.42525       
11.71840  53.06209       25.66221  56.68671 10.55403 53.83368 18.91741 
2.853035       21.66231 
1 1 1 -6  52 9  o 60.47056 9.573100 44.00250       11.37992  32.46834       
12.47792  101.0230       27.74372  49.01419 12.48454 78.96125 17.71421 
-29.94706      21.67157 
1 1 1 -6  52 10 f 25.48039 11.18202 3.255226       11.12928  14.09026       
12.24203  -48.34845      26.71646  32.73164 12.75725 23.88587 12.02737 
8.845764       17.53297 
1 1 1 -6  52 11 o 25.13987 11.12173 3.220812       11.21942  8.255127       
12.22812  -23.57223      28.20982  28.41707 12.08889 27.08873 13.43987 
1.328346       18.07682 
1 1 1 -6  52 12 o 55.74601 12.04099 43.80024       13.25079  43.80024       
13.25079  0.000000       0.000000  55.74601 12.04099 ?        ?        
0.000000       12.04099 
1 1 1 -6  53 1  o 54.34811 15.41948 44.70772       17.83026  70.42265       
27.74426  26.61393       23.27262  61.01270 19.66361 40.57718 16.93422 
20.43552       25.95044 
1 1 1 -6  53 2  o 70.70364 14.19453 69.17786       19.69953  38.10550       
28.45817  97.76582       27.29679  44.91541 18.73379 79.04986 17.44796 
-34.13445      25.60051 
1 1 1 -6  53 3  o 27.42895 12.83729 -4.771236      17.88714  -9.923783      
27.50043  -0.9929495     23.54919  30.94694 14.88508 31.38684 14.70236 
-0.4398975     20.92188 
1 1 1 -6  53 4  o 88.12684 11.77499 98.30362       20.57410  78.29977       
31.39407  113.3625       27.23872  62.19662 20.95647 88.44511 15.72074 
-26.24849      26.19762 
1 1 1 -6  53 5  o 32.59344 14.41120 8.972116       18.81227  11.97026       
28.00366  6.506301       25.39618  35.99345 16.57308 33.86356 15.65965 
2.129887       22.80113 
1 1 1 -6  53 6  o 24.94062 10.38564 4.659923       8.726104  3.875101       
9.355998  9.906735       24.19091  24.87978 10.57897 34.18348 15.61403 
-9.303703      18.86034 
1 1 1 -6  53 7  o 23.71168 10.43595 1.698332       9.755514  -12.42158      
10.57440  82.41710       25.28290  18.64165 9.030871 69.92226 17.74995 
-51.28060      19.91526 
1 1 1 -6  53 8  o 42.92688 11.73695 25.07824       10.53963  22.29343       
11.58067  38.51157       25.43478  39.45168 12.70297 43.22041 17.84198 
-3.768726      21.90209 
1 1 1 -6  53 9  o 41.88712 12.33194 25.18739       11.21072  26.66971       
12.25143  17.55760       27.79534  42.34652 12.98945 34.78242 16.18683 
7.564095       20.75426 
1 1 1 -6  53 10 o 31.78104 12.25219 14.32651       11.19666  16.61973       
12.28563  3.083838       27.20250  33.34410 12.83997 30.52773 14.71381 
2.816372       19.52847 
1 1 1 -6  53 11 o 36.06709 13.15843 21.24268       12.54481  21.24268       
12.54481  0.000000       0.000000  36.06709 13.15843 ?        ?        
0.000000       13.15843 
1 1 1 -6  54 1  o 44.05549 15.64686 34.00613       17.59882  28.09171       
26.45270  38.70275       23.57253  38.11358 16.95859 43.17094 17.41594 
-5.057354      24.30862 
1 1 1 -6  54 2  f 23.92815 11.60179 -13.37132      17.54655  -24.53482      
25.87496  -3.867094      23.87471  26.27614 13.00746 29.22212 14.00642 
-2.945978      19.11475 
1 1 1 -6  54 3  f 39.32677 15.71329 26.68263       18.98846  30.14549       
28.07702  23.76375       25.77756  39.10605 17.43058 37.21932 16.63736 
1.886730       24.09620 
1 1 1 -6  54 4  f 40.85289 15.76705 29.22987       18.55828  21.36890       
28.50659  35.01223       24.44894  36.42483 16.75299 41.60674 17.35981 
-5.181908      24.12521 
1 1 1 -6  54 5  o 50.66318 16.53558 46.00587       19.58382  43.25915       
30.25656  47.98626       25.69144  42.47418 18.54341 46.56231 18.38071 
-4.088131      26.10955 
1 1 1 -6  54 6  o 64.63533 7.583970 48.49422       9.778779  50.56399       
10.49928  34.94772       26.86039  65.51588 8.050002 40.01447 17.47058 
25.50142       19.23600 
1 1 1 -6  54 7  o 23.09382 10.28628 1.701983       9.759368  -4.501436      
10.64491  34.40166       24.43983  20.98733 9.848142 39.75375 17.00529 
-18.76642      19.65110 
1 1 1 -6  54 8  o 47.67030 11.42446 31.66898       10.93019  33.48409       
12.05715  23.29823       25.89256  47.88501 12.31314 34.86523 16.01003 
13.01978       20.19739 
1 1 1 -6  54 9  o 32.21928 12.21976 15.71026       11.02075  19.15315       
12.08036  -1.372852      26.90922  34.53740 12.85771 28.69017 14.01229 
5.847231       19.01749 
1 1 1 -6  54 10 o 25.74455 11.21068 6.729255       10.99527  3.074311       
12.02330  25.40189       27.17604  24.38474 11.08755 33.44023 15.70557 
-9.055492      19.22495 
1 1 1 -6  55 1  o 21.34565 10.52080 -17.31832      16.29443  -24.10964      
25.72935  -12.77053      21.05482  24.87255 12.42000 24.75717 12.15403 
0.1153774      17.37748 
1 1 1 -6  55 2  o 32.18517 14.10029 16.32588       17.62968  28.30427       
27.85480  8.321002       22.77081  35.43605 16.39151 30.10162 14.21108 
5.334427       21.69415 
1 1 1 -6  55 3  f 37.44804 15.33584 27.55723       18.60391  21.39188       
29.09326  31.82230       24.19781  33.80073 15.98982 37.39871 16.44845 
-3.597977      22.93961 
1 1 1 -6  55 4  o 44.07009 16.11351 39.37729       18.82689  88.42589       
29.96310  7.379833       24.20088  57.40297 20.41328 30.17042 14.36210 
27.23255       24.95941 
1 1 1 -6  55 5  o 24.70010 11.93973 -7.169946      18.23216  3.467532       
29.33225  -13.86735      23.27445  30.07152 14.67425 25.53184 12.58209 
4.539684       19.32984 
1 1 1 -6  55 6  o 16.84809 8.175073 -9.710020      8.756007  -12.40202      
9.355031  9.313928       24.86897  16.68657 8.173366 30.22169 14.43397 
-13.53511      16.58745 
1 1 1 -6  55 7  o 33.69563 11.85653 17.53470       10.08259  18.65648       
11.00944  11.70123       25.10581  34.15001 12.34702 30.33209 14.49110 
3.817923       19.03788 
1 1 1 -6  55 8  o 19.69041 9.359955 -5.011315      10.20654  -7.357996      
11.17442  6.801682       25.07137  19.70731 9.481339 28.77205 13.93052 
-9.064743      16.85097 
1 1 1 -6  56 1  o 25.67186 12.04448 4.434809       15.91213  2.299314       
25.55437  5.787130       20.33554  27.25541 13.38239 27.06781 12.96136 
0.1875992      18.63022 
1 1 1 -6  56 2  o 31.30474 13.90842 18.99846       17.72946  -0.9319620     
28.22088  31.99369       22.78791  27.38233 13.56028 34.82190 15.59872 
-7.439562      20.66884 
1 1 1 -6  56 3  f 24.10874 11.67401 -4.201767      17.61943  -37.27761      
27.40999  19.08938       23.00111  22.98483 11.64500 30.96073 14.51152 
-7.975899      18.60619 
1 1 1 -6  56 4  o 32.62381 14.33023 22.30397       18.31568  32.33497       
28.11554  14.90858       24.14097  33.53635 15.81991 29.87234 14.25436 
3.664005       21.29451 
1 1 1 -6  56 5  o 24.62325 11.92582 -2.766551      18.41348  -1.421384      
29.71745  -3.604840      23.45956  27.44936 13.64834 25.93604 12.75230 
1.513319       18.67882 
1 1 1 -6  56 6  f 54.74514 8.835660 38.94487       9.501456  37.34921       
10.20706  49.30362       26.00657  52.03796 10.00904 38.49008 16.98501 
13.54788       19.71476 
1 1 1 -5  0  1  o 247.6268 4.611651 624.2824       23.20415  624.2824       
23.20415  624.2824       23.20415  247.6268 4.611651 247.6268 4.611651 
0.000000       0.000000 
1 1 1 -5  0  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -5  0  3  o 194.5667 4.444320 385.5986       17.56359  385.5986       
17.56359  385.5986       17.56359  194.5667 4.444320 194.5667 4.444320 
-0.000000      0.000000 
1 1 1 -5  0  4  o 425.2013 6.018919 1840.217       52.01976  1840.217       
52.01976  1840.217       52.01976  425.2013 6.018919 425.2013 6.018919 
0.000000       0.000000 
1 1 1 -5  0  5  o 26.98983 12.81684 10.88384       8.009456  10.88384       
8.009456  10.88384       8.009456  26.98983 12.81684 26.98983 12.81684 
0.000000       0.000000 
1 1 1 -5  0  6  o 552.7672 10.33071 3115.799       116.0330  3115.799       
116.0330  3115.799       116.0330  552.7672 10.33071 552.7672 10.33071 
0.000000       0.000000 
1 1 1 -5  0  7  o 92.23386 6.490383 87.84326       12.03494  87.84326       
12.03494  87.84326       12.03494  92.23386 6.490383 92.23386 6.490383 
0.000000       0.000000 
1 1 1 -5  0  8  o 437.0818 8.964017 1947.583       79.59841  1947.583       
79.59841  1947.583       79.59841  437.0818 8.964017 437.0818 8.964017 
0.000000       0.000000 
1 1 1 -5  0  9  o 506.8017 7.017414 2614.910       72.29012  2614.910       
72.29012  2614.910       72.29012  506.8017 7.017414 506.8017 7.017414 
0.000000       0.000000 
1 1 1 -5  0  10 o 262.2772 5.483822 700.5953       29.21908  700.5953       
29.21908  700.5953       29.21908  262.2772 5.483822 262.2772 5.483822 
0.000000       0.000000 
1 1 1 -5  0  11 o 306.3180 5.788805 955.3844       36.02989  955.3844       
36.02989  955.3844       36.02989  306.3180 5.788805 306.3180 5.788805 
0.000000       0.000000 
1 1 1 -5  0  12 f 371.6829 6.240297 1406.384       47.13605  1406.384       
47.13605  1406.384       47.13605  371.6829 6.240297 371.6829 6.240297 
0.000000       0.000000 
1 1 1 -5  0  13 o 386.3275 6.555621 1519.614       51.46819  1519.614       
51.46819  1519.614       51.46819  386.3275 6.555621 386.3275 6.555621 
0.000000       0.000000 
1 1 1 -5  0  14 o 692.4572 9.082154 4884.427       127.8395  4884.427       
127.8395  4884.427       127.8395  692.4572 9.082154 692.4572 9.082154 
0.000000       0.000000 
1 1 1 -5  0  15 o 293.1743 9.265649 878.2775       55.11499  878.2775       
55.11499  878.2775       55.11499  293.1743 9.265649 293.1743 9.265649 
0.000000       0.000000 
1 1 1 -5  0  16 o 330.1439 6.557422 1111.154       43.98464  1111.154       
43.98464  1111.154       43.98464  330.1439 6.557422 330.1439 6.557422 
0.000000       0.000000 
1 1 1 -5  0  17 o 43.42097 20.46090 28.55776       20.37180  28.55776       
20.37180  28.55776       20.37180  43.42097 20.46090 43.42097 20.46090 
-0.000000      0.000000 
1 1 1 -5  0  18 o 384.9504 6.889545 1512.633       53.89306  1512.633       
53.89306  1512.633       53.89306  384.9504 6.889545 384.9504 6.889545 
-0.000000      0.000000 
1 1 1 -5  0  19 o 314.2952 6.687186 1009.255       42.69613  1009.255       
42.69613  1009.255       42.69613  314.2952 6.687186 314.2952 6.687186 
0.000000       0.000000 
1 1 1 -5  0  20 o 63.90221 18.96901 52.23218       21.44611  52.23218       
21.44611  52.23218       21.44611  63.90221 18.96901 63.90221 18.96901 
0.000000       0.000000 
1 1 1 -5  0  21 o 71.36092 19.14139 63.45762       24.00382  63.45762       
24.00382  63.45762       24.00382  71.36092 19.14139 71.36092 19.14139 
-0.000000      0.000000 
1 1 1 -5  0  22 o 40.84694 21.68786 26.46222       24.28658  26.46222       
24.28658  26.46222       24.28658  40.84694 21.68786 40.84694 21.68786 
-0.000000      0.000000 
1 1 1 -5  0  23 o 72.74095 20.66205 68.58224       26.47814  68.58224       
26.47814  68.58224       26.47814  72.74095 20.66205 72.74095 20.66205 
0.000000       0.000000 
1 1 1 -5  0  24 o 84.26933 18.43398 87.09484       27.66237  87.09484       
27.66237  87.09484       27.66237  84.26933 18.43398 84.26933 18.43398 
0.000000       0.000000 
1 1 1 -5  0  25 o 33.22430 20.36934 16.78638       26.42769  16.78638       
26.42769  16.78638       26.42769  33.22430 20.36934 33.22430 20.36934 
0.000000       0.000000 
1 1 1 -5  1  1  f 132.1959 3.134119 177.7310       8.425294  170.2104       
11.89587  185.3006       11.93456  129.3518 4.522433 134.9665 4.348392 
-5.614731      6.273828 
1 1 1 -5  1  2  o 783.5677 6.759059 6249.278       107.6996  6254.135       
152.4745  6244.441       152.1466  783.4598 9.570376 782.8546 9.557178 
0.6052246      13.52523 
1 1 1 -5  1  3  o 303.1873 3.531993 934.9074       21.77621  995.9947       
31.92234  881.7393       29.78142  312.8900 5.017087 294.3983 4.974606 
18.49164       7.065258 
1 1 1 -5  1  4  f 244.7560 3.315280 609.2673       16.50080  608.8721       
23.35041  609.6616       23.32093  244.6428 4.693650 244.8016 4.684683 
-0.1587982     6.631485 
1 1 1 -5  1  5  o 141.9682 3.395000 204.9980       9.801270  194.9533       
13.65221  215.6819       14.07985  138.4222 4.850048 145.5972 4.755474 
-7.175003      6.792459 
1 1 1 -5  1  6  o 368.6633 5.661608 1383.412       42.44448  1340.187       
58.77955  1430.507       61.35431  362.6654 7.970190 374.6786 8.052575 
-12.01318      11.32996 
1 1 1 -5  1  7  o 438.7739 4.441577 1958.888       39.63049  1943.335       
55.73329  1974.796       56.36398  436.8751 6.273443 440.3953 6.293722 
-3.520172      8.886339 
1 1 1 -5  1  8  o 562.0649 7.468291 3217.830       85.36092  3145.802       
118.2583  3296.179       123.3390  555.2644 10.47323 568.3431 10.67182 
-13.07867      14.95247 
1 1 1 -5  1  9  o 790.7952 6.930737 6366.308       111.4538  6535.612       
161.3270  6211.720       154.1564  800.7239 9.907696 780.6695 9.710530 
20.05444       13.87288 
1 1 1 -5  1  10 o 684.5660 6.185243 4768.651       86.10403  4805.033       
122.5025  4733.128       121.0495  686.8979 8.770033 681.7438 8.731532 
5.154175       12.37551 
1 1 1 -5  1  11 o 354.3097 4.250719 1276.791       30.62647  1277.201       
43.39135  1276.385       43.23381  354.3121 6.022346 354.1997 6.002385 
0.1124268      8.502780 
1 1 1 -5  1  12 o 128.0769 5.224712 166.8611       13.60769  170.0509       
19.20953  163.6481       19.27903  129.0583 7.349879 126.5846 7.523351 
2.473709       10.51768 
1 1 1 -5  1  13 o 488.5784 5.908864 2428.694       58.70697  2431.111       
71.73389  2423.791       102.1613  488.7432 7.217590 487.7615 10.29977 
0.9817200      12.57692 
1 1 1 -5  1  14 o 383.2037 4.684344 1493.854       36.50311  1517.342       
52.06219  1471.142       51.19512  386.1030 6.630830 380.1801 6.621979 
5.922913       9.371153 
1 1 1 -5  1  15 o 703.8409 9.200524 5050.795       131.6857  5081.681       
187.1330  5020.497       185.3432  705.0142 13.05272 700.7707 13.00617 
4.243469       18.42645 
1 1 1 -5  1  16 o 370.0870 4.730059 1394.004       35.59768  1368.196       
49.56825  1421.490       51.15468  366.4659 6.651485 373.5258 6.734623 
-7.059906      9.465590 
1 1 1 -5  1  17 o 143.1336 5.811612 208.7214       16.91569  202.4639       
23.35921  215.6210       24.52839  140.5964 8.205845 145.0897 8.348660 
-4.493347      11.70624 
1 1 1 -5  1  18 o 295.0623 4.678564 886.6243       28.07228  879.2692       
39.55904  894.0853       39.84286  293.6013 6.625772 296.0657 6.617759 
-2.464478      9.364592 
1 1 1 -5  1  19 f 331.0025 4.805795 1116.186       32.34804  1134.669       
45.95997  1098.040       45.53703  333.4085 6.778781 327.9737 6.827697 
5.434845       9.621295 
1 1 1 -5  1  20 o 99.99673 8.066788 102.9781       16.26396  124.3107       
23.55472  83.54072       22.48405  109.4430 10.72142 89.06348 12.78061 
20.37948       16.68211 
1 1 1 -5  1  21 o 333.6164 5.105727 1135.012       34.63829  1192.969       
50.83298  1084.776       47.32663  341.4962 7.319953 325.6890 7.145803 
15.80716       10.22958 
1 1 1 -5  1  22 o 125.7849 7.728465 162.6680       19.67275  161.0144       
28.46142  164.1808       27.22283  124.3438 11.38220 125.7280 10.75093 
-1.384155      15.65686 
1 1 1 -5  1  23 o 143.4759 7.049859 210.8848       20.56889  221.1158       
29.14157  200.7275       29.03633  146.0736 9.868340 139.0145 10.34549 
7.059128       14.29732 
1 1 1 -5  1  24 o 194.2591 6.273952 386.8182       24.78415  374.4733       
34.61786  399.7995       35.49891  190.3423 8.943624 196.6980 8.874901 
-6.355774      12.59969 
1 1 1 -5  1  25 o 36.49609 15.21476 5.067595       18.75794  -7.819697      
26.58962  17.83561       26.46628  37.41983 16.79994 47.43161 18.67745 
-10.01177      25.12140 
1 1 1 -5  2  1  o 314.8007 3.574361 1007.936       22.88156  978.3246       
31.85155  1039.515       32.89235  310.0921 5.051129 319.6422 5.060336 
-9.550079      7.149889 
1 1 1 -5  2  2  o 266.5608 3.344739 722.6506       18.13051  744.3065       
26.01615  702.2022       25.28050  270.4898 4.729777 262.7278 4.731822 
7.761993       6.690361 
1 1 1 -5  2  3  o 735.6946 6.404601 5508.561       95.81667  5444.272       
134.1120  5575.591       136.9428  731.0400 9.021425 739.7911 9.102874 
-8.751099      12.81594 
1 1 1 -5  2  4  o 459.3434 4.467396 2146.436       41.72952  2070.776       
57.42389  2231.101       60.74495  451.0640 6.260414 468.1909 6.380223 
-17.12683      8.938682 
1 1 1 -5  2  5  o 263.6503 3.968907 707.1004       21.27897  693.4304       
25.83089  735.9648       37.53502  261.0587 4.865751 268.8525 6.865483 
-7.793823      8.414891 
1 1 1 -5  2  6  o 336.6214 4.421659 1152.908       30.26762  1147.657       
52.46528  1155.527       37.05592  335.6277 7.687105 336.9479 5.408085 
-1.320190      9.398881 
1 1 1 -5  2  7  o 268.7256 3.611676 734.5863       19.73646  732.6877       
27.94961  736.4745       27.87369  268.3147 5.122476 269.0085 5.095386 
-0.6938171     7.225144 
1 1 1 -5  2  8  o 399.8841 4.948056 1627.138       40.23650  1676.208       
50.29845  1539.931       67.05413  405.7881 6.095423 388.7302 8.482537 
17.05783       10.44546 
1 1 1 -5  2  9  o 321.8391 3.965612 1053.596       25.95377  1060.146       
36.86582  1047.160       36.54463  322.7724 5.616633 320.7903 5.602102 
1.982147       7.932851 
1 1 1 -5  2  10 f 875.4107 7.571674 7801.117       134.7892  8009.850       
195.2098  7610.921       186.3408  886.4996 10.82858 864.1844 10.60352 
22.31519       15.15562 
1 1 1 -5  2  11 o 52.45981 9.880442 28.94832       10.15363  26.59092       
14.61571  31.14731       14.11613  50.29432 13.85046 54.19065 12.98060 
-3.896332      18.98239 
1 1 1 -5  2  12 o 256.8378 4.134109 670.9036       21.59197  651.7101       
30.22183  690.9154       30.85947  253.1016 5.871844 260.6046 5.823109 
-7.503006      8.269652 
1 1 1 -5  2  13 o 495.9484 5.926322 2502.540       59.76860  2468.571       
72.41380  2575.139       105.8632  492.4916 7.230546 502.7503 10.35479 
-10.25870      12.62943 
1 1 1 -5  2  14 o 301.2374 4.510939 923.1069       27.63295  939.8705       
39.42815  906.9243       38.73876  303.8859 6.380349 298.5121 6.381639 
5.373749       9.024089 
1 1 1 -5  2  15 f 277.2603 5.285751 782.3364       29.80203  768.7239       
36.40960  809.9709       51.87685  274.7724 6.516154 281.8662 9.050637 
-7.093781      11.15232 
1 1 1 -5  2  16 o 213.3724 4.811736 463.3950       20.87812  448.8522       
28.86733  479.3455       30.23219  209.8908 6.763350 216.8972 6.854318 
-7.006393      9.629360 
1 1 1 -5  2  17 o 466.6718 5.154810 2217.825       48.91879  2227.750       
69.35194  2207.998       69.01256  467.3464 7.297401 465.2707 7.294088 
2.075775       10.31774 
1 1 1 -5  2  18 o 323.4176 4.686779 1065.235       30.82404  996.5742       
42.08015  1144.731       45.27895  312.5716 6.620280 334.9970 6.646668 
-22.42538      9.381167 
1 1 1 -5  2  19 o 229.6248 4.949883 537.2386       23.11347  551.8923       
32.24274  521.7478       33.15094  232.5174 6.819071 226.0250 7.212533 
6.492340       9.925742 
1 1 1 -5  2  20 o 179.4671 5.548006 328.4895       20.24758  328.0791       
28.79618  328.8908       28.47532  179.0726 7.907774 179.3077 7.809411 
-0.2351074     11.11395 
1 1 1 -5  2  21 o 79.81173 10.82093 66.77716       17.10953  93.40537       
24.71899  42.28702       23.70584  94.03223 13.29805 62.52935 17.79299 
31.50287       22.21325 
1 1 1 -5  2  22 o 230.5558 5.493052 542.5177       25.75380  514.6052       
35.32531  574.1849       37.62623  224.1283 7.750647 236.7325 7.815941 
-12.60428      11.00734 
1 1 1 -5  2  23 o 57.35195 15.46144 35.84101       18.44255  64.63261       
26.44826  8.592044       25.72997  76.57072 17.38300 43.92415 18.01713 
32.64656       25.03569 
1 1 1 -5  2  24 o 44.88818 15.94069 19.25150       18.26548  26.95414       
26.53243  12.31248       25.18294  52.92936 19.16287 44.86094 18.03499 
8.068417       26.31495 
1 1 1 -5  2  25 o 103.4293 10.06904 113.0713       20.90940  105.7407       
29.33452  120.6424       29.81196  97.65942 15.27131 104.9116 14.35007 
-7.252167      20.95560 
1 1 1 -5  3  1  o 788.5482 6.799720 6329.987       109.0362  6388.222       
155.4114  6273.533       153.0174  791.6819 9.653408 784.5553 9.591044 
7.126587       13.60795 
1 1 1 -5  3  2  o 1006.312 8.457258 10314.38       173.0667  10276.34       
243.9192  10352.95       245.5961  1003.584 11.95201 1007.306 11.98970 
-3.722839      16.92937 
1 1 1 -5  3  3  o 433.6920 4.285566 1913.285       37.79558  1927.435       
53.77693  1899.472       53.13097  435.1941 6.076614 432.0275 6.047627 
3.166595       8.573157 
1 1 1 -5  3  4  o 261.6359 3.376656 696.2219       17.96535  718.2916       
25.78894  675.4135       25.04123  265.7103 4.772805 257.6573 4.779272 
8.052979       6.754340 
1 1 1 -5  3  5  o 259.9429 3.952836 687.3622       20.89480  655.2136       
25.07554  760.3934       37.79402  253.7601 4.859319 273.2753 6.800976 
-19.51520      8.358603 
1 1 1 -5  3  6  o 491.4849 5.474144 2458.629       54.71140  2474.156       
95.39816  2451.020       66.78625  492.5160 9.525071 490.5974 6.694381 
1.918579       11.64224 
1 1 1 -5  3  7  f 410.2528 4.281838 1712.421       35.72179  1696.679       
50.21848  1728.544       50.82344  408.2290 6.049343 412.0431 6.065547 
-3.814087      8.566528 
1 1 1 -5  3  8  o 459.4552 5.324330 2148.280       49.74617  2153.712       
61.01740  2137.511       85.90711  459.9342 6.523889 457.8983 9.225898 
2.035858       11.29948 
1 1 1 -5  3  9  o 800.5756 6.997380 6524.741       113.9172  6314.661       
156.2656  6763.010       166.4198  787.1216 9.762707 814.5278 10.04726 
-27.40619      14.00921 
1 1 1 -5  3  10 o 701.4387 6.301486 5006.704       89.88436  5031.234       
127.6275  4982.563       126.6099  702.8687 8.929329 699.4642 8.901246 
3.404419       12.60814 
1 1 1 -5  3  11 o 224.9728 5.684362 514.8930       26.00538  514.8930       
26.00538  0.000000       0.000000  224.9728 5.684362 ?        ?        
0.000000       5.684362 
1 1 1 -5  3  12 o 218.4358 4.231947 485.2843       18.79817  523.5471       
27.19888  450.2929       26.01018  226.8526 5.895979 210.3806 6.079759 
16.47202       8.469123 
1 1 1 -5  3  13 o 637.0530 6.926377 4130.179       89.72906  4093.069       
109.0398  4208.021       157.9227  634.0427 8.456974 642.4293 12.08837 
-8.386597      14.75294 
1 1 1 -5  3  14 o 508.9053 5.262003 2635.048       54.45522  2553.293       
75.13218  2725.526       79.03889  500.7854 7.377733 517.3875 7.512311 
-16.60208      10.52928 
1 1 1 -5  3  15 o 711.6453 7.583120 5159.131       109.7395  5221.013       
135.9723  5043.516       185.8566  715.5472 9.344598 702.3264 13.01330 
13.22089       16.02085 
1 1 1 -5  3  16 o 115.9553 6.761515 137.4603       15.87442  150.6876       
22.43451  124.1969       22.46516  121.1628 9.173344 109.7976 10.17726 
11.36517       13.70134 
1 1 1 -5  3  17 o 134.6055 6.106245 184.6352       16.71431  196.6998       
23.43367  172.1413       23.84696  138.5503 8.356387 129.4791 9.115109 
9.071213       12.36586 
1 1 1 -5  3  18 o 257.4736 4.680287 675.1301       24.50511  653.3758       
34.30437  697.7983       35.01754  253.0818 6.665569 261.5541 6.583739 
-8.472382      9.368855 
1 1 1 -5  3  19 o 278.0216 5.478606 787.9509       30.97420  755.5182       
37.12527  862.2339       56.18526  272.0645 6.710370 290.0767 9.524850 
-18.01224      11.65126 
1 1 1 -5  3  20 o 166.1164 5.842830 281.5350       19.73727  288.4495       
28.93120  275.5152       26.99473  167.6109 8.516130 164.0739 8.090739 
3.537094       11.74668 
1 1 1 -5  3  21 o 113.3675 7.989770 132.2711       18.30149  99.35695       
26.14998  163.8709       25.62252  96.93669 13.64327 125.8277 10.09878 
-28.89097      16.97422 
1 1 1 -5  3  22 o 239.5477 5.465471 585.6511       26.62386  606.4831       
38.33790  566.2462       37.00130  243.3100 7.748487 235.1024 7.739419 
8.207581       10.95161 
1 1 1 -5  3  23 o 292.1479 5.291551 871.5571       31.43671  879.9658       
44.31943  863.0422       44.59834  292.9401 7.439846 290.0693 7.560761 
2.870789       10.60738 
1 1 1 -5  3  24 o 246.1187 5.764175 620.2061       28.84916  615.1086       
40.33499  625.5450       41.27914  244.2719 8.120017 246.2844 8.242185 
-2.012466      11.57015 
1 1 1 -5  3  25 o 49.71796 16.15964 26.84653       18.71071  -17.10439      
26.47462  70.70667       26.44727  34.57719 15.98931 78.70019 17.02070 
-44.12299      23.35299 
1 1 1 -5  4  1  o 314.0326 3.576875 1003.054       22.84178  1041.167       
32.93724  967.7407       31.70434  319.8865 5.063373 308.4010 5.055353 
11.48544       7.155022 
1 1 1 -5  4  2  o 573.4743 5.221115 3346.205       60.88757  3352.275       
86.26976  3340.180       85.94720  573.7931 7.393531 572.7585 7.379191 
1.034546       10.44590 
1 1 1 -5  4  3  o 390.5306 4.017312 1551.357       31.90378  1529.177       
44.63741  1574.521       45.61601  387.6495 5.662501 393.3525 5.702744 
-5.703003      8.036493 
1 1 1 -5  4  4  o 198.0425 3.643173 398.9316       14.67201  441.6999       
18.67505  329.9626       23.71526  208.3702 4.407321 180.0397 6.477509 
28.33049       7.834705 
1 1 1 -5  4  5  o 71.27651 5.150596 51.96775       7.415178  59.69240       
9.393390  39.19399       12.07931  76.33276 6.102477 61.19458 10.05626 
15.13818       11.76301 
1 1 1 -5  4  6  o 344.0449 3.862629 1204.152       27.02399  1259.836       
39.27586  1154.089       37.24070  351.8151 5.489841 336.7296 5.438575 
15.08551       7.727642 
1 1 1 -5  4  7  f 303.6953 4.303008 938.3952       26.57429  887.3127       
44.58229  966.5476       33.09663  295.1200 7.428693 308.1655 5.281393 
-13.04550      9.114745 
1 1 1 -5  4  8  o 163.5426 4.339233 272.1039       14.43096  278.8034       
17.79963  259.2538       24.65151  165.5205 5.288198 159.5389 7.598455 
5.981522       9.257514 
1 1 1 -5  4  9  o 492.4514 4.864181 2467.202       48.71072  2480.198       
69.28305  2454.499       68.49837  493.5991 6.902417 491.0387 6.859826 
2.560394       9.731421 
1 1 1 -5  4  10 o 539.3390 5.217837 2959.253       57.22737  2778.053       
77.02010  3182.587       85.50704  522.4332 7.249731 559.1564 7.519989 
-36.72314      10.44552 
1 1 1 -5  4  11 o 430.4703 4.629949 1884.793       40.52946  1868.897       
57.07630  1900.960       57.56142  428.5744 6.549047 432.2351 6.548774 
-3.660706      9.261559 
1 1 1 -5  4  12 o 342.4278 4.312284 1192.594       30.02809  1197.966       
42.50347  1187.241       42.42890  343.1458 6.091080 341.6056 6.107808 
1.540161       8.625924 
1 1 1 -5  4  13 o 275.3561 5.056969 771.3044       28.31630  743.0297       
34.30367  831.7718       50.16521  270.2269 6.242528 285.8107 8.631230 
-15.58377      10.65210 
1 1 1 -5  4  14 o 230.9965 4.590415 542.8250       21.56298  512.4927       
30.09970  574.8033       30.90560  224.3873 6.596482 237.6447 6.395250 
-13.25743      9.187645 
1 1 1 -5  4  15 o 424.5451 5.641819 1834.583       48.70735  1806.481       
59.25380  1893.136       85.53105  421.1667 6.918480 430.8042 9.763206 
-9.637482      11.96602 
1 1 1 -5  4  16 o 481.5731 5.174635 2360.952       50.67496  2438.322       
73.19355  2289.722       70.22880  489.0890 7.359249 473.9630 7.286506 
15.12592       10.35624 
1 1 1 -5  4  17 o 214.7083 4.905192 469.4101       21.41689  446.9214       
29.77115  493.5313       30.83284  209.3446 6.993304 219.9997 6.891916 
-10.65506      9.818595 
1 1 1 -5  4  18 o 122.9999 6.625882 154.7737       16.51182  156.2669       
23.47308  153.3111       23.23128  123.2087 9.440475 122.0316 9.434882 
1.177055       13.34689 
1 1 1 -5  4  19 o 256.5004 5.533484 670.7372       28.86278  659.3765       
34.76146  695.9547       51.79020  254.1579 6.725785 260.5452 9.774918 
-6.387344      11.86529 
1 1 1 -5  4  20 o 257.0937 4.916878 673.7015       25.70586  691.8181       
36.88391  656.5906       35.84549  260.2064 6.970557 253.4980 6.953582 
6.708389       9.845860 
1 1 1 -5  4  21 o 139.5878 6.808149 199.1763       19.32537  203.8436       
26.82085  194.1367       27.86971  140.5625 9.437969 137.0208 10.07279 
3.541656       13.80349 
1 1 1 -5  4  22 o 183.0524 5.965407 342.2428       22.20582  354.2956       
31.66535  330.5801       31.14858  185.8407 8.378997 179.4834 8.534193 
6.357239       11.95994 
1 1 1 -5  4  23 o 161.0952 6.565492 265.6422       21.50807  249.9052       
29.94758  282.4060       30.90921  155.4002 9.522661 165.3152 9.231278 
-9.914993      13.26264 
1 1 1 -5  4  24 o 62.19223 15.13688 42.79617       18.96281  26.15681       
27.10092  58.75715       26.54272  52.66961 19.32134 72.18311 18.11210 
-19.51351      26.48325 
1 1 1 -5  4  25 o 149.2160 7.381132 230.2288       22.39699  213.8884       
30.15996  250.3190       33.44194  142.2691 10.49901 153.8208 10.75892 
-11.55167      15.03275 
1 1 1 -5  5  1  o 391.3123 4.608613 1557.895       36.67289  1559.659       
45.10201  1554.454       62.99992  391.4716 5.665577 390.6422 7.930663 
0.8294678      9.746495 
1 1 1 -5  5  2  o 402.2458 4.694235 1646.138       38.39793  1634.360       
46.95497  1669.914       66.71422  400.7432 5.761878 404.8991 8.102521 
-4.155945      9.942338 
1 1 1 -5  5  3  o 445.6481 5.023603 2020.722       45.52593  2011.646       
55.73082  2038.929       78.92928  444.5682 6.164610 447.3440 8.676511 
-2.775818      10.64351 
1 1 1 -5  5  4  o 259.6845 3.868071 685.9711       20.42640  701.3466       
25.39318  657.7817       34.38321  262.5490 4.756147 254.1827 6.651949 
8.366241       8.177368 
1 1 1 -5  5  5  o 262.4513 3.442269 700.6294       18.37152  735.2833       
26.55057  668.7963       25.44705  268.8116 4.857070 256.3692 4.881126 
12.44238       6.885966 
1 1 1 -5  5  6  o 138.7364 3.545594 195.7943       10.00301  198.3499       
14.23704  193.3028       14.05747  139.6071 5.014882 137.8195 5.015856 
1.787659       7.092803 
1 1 1 -5  5  7  o 155.0868 4.212644 244.7066       13.28559  246.5724       
23.42691  243.8220       16.13027  155.5742 7.405016 154.7828 5.124691 
0.7914276      9.005372 
1 1 1 -5  5  8  o 144.1468 3.933153 211.3657       11.52915  208.5566       
16.40960  214.1041       16.20175  143.1504 5.637074 145.0453 5.492964 
-1.894867      7.870785 
1 1 1 -5  5  9  o 520.1732 5.042145 2752.891       53.33530  2709.460       
74.59810  2798.308       76.28519  515.8942 7.110754 524.2805 7.155255 
-8.386230      10.08764 
1 1 1 -5  5  10 o 80.83876 6.203870 66.88617       10.12065  76.36386       
14.66557  58.26864       13.98424  86.18779 8.477283 75.05752 9.365887 
11.13027       12.63266 
1 1 1 -5  5  11 o 417.5716 4.557270 1773.512       38.69788  1852.954       
56.30876  1702.409       53.27159  426.7454 6.488670 409.0461 6.404304 
17.69922       9.116904 
1 1 1 -5  5  12 o 310.4354 4.233494 980.1531       26.72524  964.3913       
37.64182  996.1744       37.95047  307.8823 6.012213 312.9161 5.964002 
-5.033783      8.468532 
1 1 1 -5  5  13 o 604.8293 6.701233 3722.828       82.42121  3611.998       
98.53303  3981.068       150.4057  595.6330 8.134889 624.8672 11.83655 
-29.23419      14.36246 
1 1 1 -5  5  14 o 210.9395 4.769590 452.6781       20.45929  509.4192       
29.83277  402.2957       28.11149  223.7117 6.557727 198.7898 6.954057 
24.92192       9.558384 
1 1 1 -5  5  15 o 461.5114 5.865170 2168.234       55.04456  2172.350       
67.61844  2160.149       94.77377  461.8092 7.200309 460.1048 10.12931 
1.704437       12.42769 
1 1 1 -5  5  16 o 37.19138 13.95919 10.51772       14.29578  0.3231928      
20.37940  20.39419       20.05899  36.73716 15.61685 47.45811 16.72084 
-10.72095      22.87952 
1 1 1 -5  5  17 o 128.7633 6.148381 168.9733       16.09920  159.2527       
22.40987  179.3405       23.14324  124.5319 8.908088 132.2245 8.654931 
-7.692627      12.42022 
1 1 1 -5  5  18 o 215.0140 4.924613 470.9241       21.53229  457.6683       
30.25234  484.5344       30.65415  211.7656 7.025093 217.9048 6.917848 
-6.139191      9.859439 
1 1 1 -5  5  19 o 48.91325 15.04398 24.84632       16.42099  10.93245       
19.78945  55.60600       29.42393  41.36593 16.19281 71.58787 19.62617 
-30.22194      25.44393 
1 1 1 -5  5  20 o 237.8088 5.021747 576.5023       24.28478  579.2034       
34.03985  573.7026       34.65618  238.0700 7.031233 236.9089 7.193627 
1.161148       10.05915 
1 1 1 -5  5  21 o 161.1326 8.963118 267.2676       29.25317  0.000000       
0.000000  267.2676       29.25317  ?        ?        161.1326 8.963118 
0.000000       8.963118 
1 1 1 -5  5  22 o 128.1576 7.634439 168.8337       19.80613  156.1938       
28.60555  180.4733       27.45035  122.3573 11.63671 131.9419 10.31289 
-9.584602      15.54892 
1 1 1 -5  5  23 o 202.7045 5.923500 420.1042       24.41704  416.9416       
33.94062  423.4969       35.15312  201.4075 8.286909 202.9227 8.518869 
-1.515121      11.88461 
1 1 1 -5  5  24 o 141.8268 7.709910 207.7499       22.15258  210.8797       
31.45519  204.6701       31.20328  141.7706 10.99680 139.6238 11.08086 
2.146805       15.61137 
1 1 1 -5  5  25 o 83.41859 11.71817 75.05873       19.32985  55.62369       
27.81748  93.20549       26.87971  68.85825 19.16334 91.62006 14.94232 
-22.76182      24.30034 
1 1 1 -5  6  1  o 333.0220 4.222323 1128.263       28.59406  1092.507       
34.56102  1205.839       50.90747  327.6561 5.187008 344.0913 7.275391 
-16.43527      8.935121 
1 1 1 -5  6  2  o 201.4023 3.559922 412.5841       14.57996  390.2848       
17.73805  459.0289       25.59929  195.8634 4.453497 212.3659 5.927776 
-16.50247      7.414322 
1 1 1 -5  6  3  o 184.7372 3.550076 347.1298       13.33655  345.9053       
16.56095  349.3889       22.49503  184.3923 4.416632 185.2743 5.970628 
-0.8820190     7.426643 
1 1 1 -5  6  4  o 239.7680 3.773630 584.7902       18.39933  605.2336       
23.05001  548.8880       30.54612  243.8945 4.647481 232.1898 6.469363 
11.70477       7.965660 
1 1 1 -5  6  5  o 134.9142 3.369680 185.1426       9.244802  188.8594       
13.17007  181.5323       12.98024  136.2352 4.753870 133.5658 4.778992 
2.669434       6.740775 
1 1 1 -5  6  6  o 298.7944 3.658048 908.1974       22.22661  955.7519       
32.24651  865.1553       30.67843  306.4417 5.174681 291.5562 5.174394 
14.88547       7.317901 
1 1 1 -5  6  7  o 246.1032 5.085879 616.3830       25.45275  0.000000       
0.000000  616.3830       25.45275  ?        ?        246.1032 5.085879 
0.000000       5.085879 
1 1 1 -5  6  8  o 159.8047 3.795540 259.7684       12.33430  282.3040       
17.85254  239.1868       17.06104  166.5592 5.270842 153.3080 5.472545 
13.25124       7.598060 
1 1 1 -5  6  9  o 308.2043 5.534832 966.5327       34.68921  0.000000       
0.000000  966.5327       34.68921  ?        ?        308.2043 5.534832 
0.000000       5.534832 
1 1 1 -5  6  10 f 665.4331 6.070274 4505.470       82.14178  4718.164       
120.6692  4321.807       112.1321  680.7010 8.717431 651.5096 8.463651 
29.19135       12.15018 
1 1 1 -5  6  11 o 239.2049 4.066976 581.9444       19.78305  550.8752       
27.54694  615.0347       28.42880  232.6983 5.821418 245.8793 5.685716 
-13.18103      8.137338 
1 1 1 -5  6  12 o 361.7833 4.403153 1331.255       32.39393  1357.304       
46.27204  1306.218       45.36530  365.2453 6.229921 358.3060 6.226131 
6.939331       8.807758 
1 1 1 -5  6  13 o 380.5749 5.335986 1473.511       41.29583  1419.693       
49.43538  1597.785       75.12176  373.5075 6.508593 396.0630 9.327174 
-22.55545      11.37356 
1 1 1 -5  6  14 o 389.1266 4.731798 1540.490       37.44283  1584.417       
53.85970  1499.403       52.08899  394.5182 6.713446 383.7907 6.674212 
10.72742       9.466544 
1 1 1 -5  6  15 o 261.9405 5.354085 698.3505       28.51933  664.0532       
34.39619  773.7965       51.01505  255.3577 6.623840 275.4592 9.107300 
-20.10143      11.26136 
1 1 1 -5  6  16 o 219.9775 4.830971 492.5768       21.61046  558.4572       
31.36266  433.0207       29.81934  234.1117 6.587767 206.1133 7.114437 
27.99841       9.696075 
1 1 1 -5  6  17 f 265.4189 4.682273 717.2757       25.27202  722.0629       
35.42976  712.3171       36.05860  266.1274 6.546772 264.3074 6.708851 
1.819977       9.373841 
1 1 1 -5  6  18 o 383.8970 4.841631 1501.184       37.79704  1518.835       
53.58707  1483.708       53.32011  385.8034 6.830343 381.3067 6.876465 
4.496704       9.692232 
1 1 1 -5  6  19 o 162.0969 6.566796 268.1907       21.64609  249.3697       
25.84939  312.3639       39.60124  155.9299 8.180652 173.9401 11.25620 
-18.01025      13.91492 
1 1 1 -5  6  20 o 172.5788 5.718272 303.8615       20.06798  287.9839       
28.15550  320.2566       28.61079  167.7005 8.256146 176.8926 7.953693 
-9.192078      11.46408 
1 1 1 -5  6  21 o 251.7549 5.358200 646.6210       27.43143  707.6678       
40.90152  596.7143       36.98176  262.9093 7.650364 241.4461 7.532098 
21.46318       10.73595 
1 1 1 -5  6  22 o 59.32511 14.68215 38.20526       17.61678  8.356060       
25.21896  66.65257       24.61963  43.63201 17.86035 78.34828 15.99373 
-34.71627      23.97481 
1 1 1 -5  6  23 o 64.29169 14.48400 45.06639       18.48185  49.41978       
25.74448  40.43679       26.54863  66.81577 18.37469 61.21587 19.17859 
5.599903       26.56026 
1 1 1 -5  6  24 o 74.63083 13.66308 60.60244       19.97153  49.04079       
27.91974  72.71724       28.57984  65.91543 19.47690 80.34792 17.94495 
-14.43249      26.48340 
1 1 1 -5  6  25 o 136.1236 8.093658 193.0357       22.30328  233.1833       
32.19723  155.9994       30.92447  148.3429 10.74617 120.1150 12.86044 
28.22787       16.75921 
1 1 1 -5  7  1  o 312.3031 4.088767 992.2398       25.96690  982.6639       
31.87468  1011.135       44.77482  310.7473 5.044138 315.0939 6.987832 
-4.346649      8.618186 
1 1 1 -5  7  2  o 362.8762 4.414401 1339.704       32.57479  1311.741       
39.53149  1398.856       57.49587  359.0128 5.414793 370.5715 7.629801 
-11.55872      9.355952 
1 1 1 -5  7  3  o 378.6384 4.532045 1458.670       34.89557  1471.061       
43.22506  1435.480       59.13079  380.1780 5.591099 375.3792 7.746259 
4.798767       9.553267 
1 1 1 -5  7  4  o 415.5882 4.196352 1757.130       35.46390  1763.827       
50.23605  1750.477       50.07141  416.2569 5.934753 414.6783 5.937820 
1.578522       8.395178 
1 1 1 -5  7  5  o 167.6622 3.275755 285.9299       11.16858  287.8230       
15.79393  284.0365       15.79559  168.1842 4.617997 167.0733 4.649189 
1.110825       6.552927 
1 1 1 -5  7  6  o 167.4015 3.446507 285.0570       11.73248  313.3458       
16.91064  258.8028       16.29117  175.4770 4.739017 159.4669 5.023778 
16.01015       6.906275 
1 1 1 -5  7  7  o 202.7980 4.987565 418.5197       20.56855  0.000000       
0.000000  418.5197       20.56855  ?        ?        202.7980 4.987565 
0.000000       4.987565 
1 1 1 -5  7  8  o 256.2907 3.686050 668.1242       19.21080  642.5153       
26.91953  694.7017       27.42383  251.2796 5.268158 261.2894 5.161251 
-10.00974      7.375093 
1 1 1 -5  7  9  o 277.9825 3.830458 785.9694       21.65308  787.9705       
30.73665  783.9979       30.50878  278.2879 5.431387 277.5865 5.404745 
0.7014465      7.662325 
1 1 1 -5  7  10 o 302.0421 4.027851 927.8766       24.73958  959.3421       
35.63376  898.5961       34.37431  307.0731 5.706482 297.1927 5.687802 
9.880371       8.056987 
1 1 1 -5  7  11 o 540.8051 5.287608 2975.127       58.15023  3012.320       
82.99535  2939.264       81.49876  544.0464 7.501816 537.4117 7.457487 
6.634705       10.57787 
1 1 1 -5  7  12 o 111.3077 5.852032 126.3948       13.19946  135.6828       
18.83923  117.4391       18.49913  115.1698 8.095470 107.0619 8.568795 
8.107918       11.78817 
1 1 1 -5  7  13 o 124.9340 7.058380 159.3745       17.85896  142.9995       
21.76382  193.1299       31.24755  118.1375 9.130196 137.1742 11.30253 
-19.03674      14.52954 
1 1 1 -5  7  14 o 231.7803 4.629488 546.5468       21.82030  566.0150       
31.53276  528.6589       30.22586  235.8024 6.576009 227.8904 6.522306 
7.911926       9.261986 
1 1 1 -5  7  15 o 245.0188 5.296893 611.0461       26.39198  606.6970       
32.31868  619.7521       45.72570  244.0802 6.511331 246.5052 9.121848 
-2.425079      11.20739 
1 1 1 -5  7  16 o 334.9064 4.675689 1141.689       31.84348  1160.718       
45.25103  1123.021       44.81902  337.5018 6.593272 331.9709 6.639126 
5.530884       9.356774 
1 1 1 -5  7  17 o 231.6680 4.744903 546.4961       22.35346  527.7620       
31.02905  566.7088       32.23030  227.4971 6.707200 235.7402 6.723249 
-8.243149      9.496769 
1 1 1 -5  7  18 o 215.8175 4.881335 474.4683       21.42282  498.4658       
30.32368  450.5567       30.26929  221.0201 6.746815 210.0918 7.085030 
10.92822       9.783514 
1 1 1 -5  7  19 o 161.9324 6.717885 267.7151       22.12166  278.1911       
26.75706  245.0881       39.32355  164.9317 7.977793 153.6289 12.70108 
11.30276       14.99875 
1 1 1 -5  7  20 f 251.0208 5.076800 642.4342       25.91500  643.1837       
36.50632  641.6729       36.79406  250.8291 7.157125 250.5220 7.222382 
0.3071594      10.16795 
1 1 1 -5  7  21 o 134.0334 7.107466 184.2758       19.30299  178.3966       
27.69058  189.8334       26.92271  131.1986 10.46599 135.5100 9.837083 
-4.311417      14.36333 
1 1 1 -5  7  22 o 38.09196 15.05772 8.842416       17.26388  -19.04072      
24.42290  36.68862       24.40672  33.11707 15.32929 58.78727 18.38394 
-25.67019      23.93650 
1 1 1 -5  7  23 o 150.4500 6.974543 232.0018       21.33827  251.9771       
30.60161  213.0982       29.76934  155.9260 9.699098 143.1686 10.29387 
12.75746       14.14342 
1 1 1 -5  7  24 o 64.00140 15.23059 45.47786       19.53558  52.21545       
27.88883  38.98704       27.37333  67.79124 19.30212 59.76614 19.55154 
8.025108       27.47425 
1 1 1 -5  7  25 o 44.15857 16.00633 19.00740       18.51933  30.70628       
26.93245  8.514732       25.50627  53.90666 19.33383 42.49675 17.73119 
11.40991       26.23341 
1 1 1 -5  8  1  o 496.1386 4.688322 2504.765       47.30117  2540.418       
67.61871  2470.601       66.19202  499.4589 6.657570 492.5536 6.608466 
6.905243       9.380569 
1 1 1 -5  8  2  o 360.2805 3.828503 1320.444       28.04924  1305.133       
39.34499  1336.267       39.99833  358.0969 5.403031 362.3412 5.428410 
-4.244293      7.659006 
1 1 1 -5  8  3  o 159.3252 3.127151 258.1876       10.13176  278.6342       
14.58756  239.1318       14.08271  165.4882 4.334752 153.3051 4.517292 
12.18314       6.260671 
1 1 1 -5  8  4  o 114.3268 3.372877 132.9516       7.841516  144.0063       
11.35462  122.8720       10.84228  118.9624 4.693656 109.8838 4.852161 
9.078568       6.750843 
1 1 1 -5  8  5  o 124.0852 3.492921 156.6244       8.813736  156.4371       
12.52269  156.8083       12.40713  123.9820 4.966921 124.1302 4.915212 
-0.1481934     6.987819 
1 1 1 -5  8  6  o 379.8559 4.677196 1468.292       36.12899  1553.854       
64.41582  1429.023       43.63916  390.4483 8.112926 374.6658 5.727709 
15.78247       9.931073 
1 1 1 -5  8  7  o 394.9544 4.882647 1587.293       39.21513  1597.452       
68.66413  1582.375       47.77266  395.8971 8.528962 394.2662 5.958519 
1.630859       10.40419 
1 1 1 -5  8  8  o 170.3546 3.718911 295.1870       12.88312  280.8943       
17.91305  310.5013       18.54220  166.1460 5.301860 174.6849 5.219807 
-8.538895      7.440168 
1 1 1 -5  8  9  o 122.1752 4.511785 151.8416       11.20941  152.8105       
15.68491  150.8301       16.02559  122.3736 6.324553 121.5635 6.506343 
0.8100204      9.073725 
1 1 1 -5  8  10 o 418.5627 4.528752 1782.002       38.54700  1811.907       
55.11435  1753.366       53.93225  421.9789 6.422771 415.1077 6.389050 
6.871185       9.059357 
1 1 1 -5  8  11 o 19.04031 9.100922 -13.73044      9.927649  -4.338033      
14.18891  -22.73820      13.89532  28.49062 12.56048 21.52453 10.40921 
6.966087       16.31310 
1 1 1 -5  8  12 o 283.4017 4.247860 816.8950       24.48072  846.1607       
35.20991  789.5087       34.06062  288.3872 6.003955 278.5657 6.012753 
9.821533       8.497099 
1 1 1 -5  8  13 o 472.3176 5.823006 2269.924       55.92845  2216.130       
67.36314  2389.280       100.3405  466.6033 7.099422 484.2065 10.19047 
-17.60315      12.41964 
1 1 1 -5  8  14 o 96.76842 7.776268 95.98776       15.17306  77.55350       
21.41203  114.5810       21.50416  86.24934 12.57832 105.5196 10.14672 
-19.27028      16.16076 
1 1 1 -5  8  15 o 243.6644 5.311570 604.3402       26.31882  602.6962       
32.79831  607.3132       44.10532  243.2585 6.630283 244.0227 8.888110 
-0.7642059     11.08869 
1 1 1 -5  8  16 o 114.6467 7.051078 134.4929       16.35905  144.8349       
24.09098  125.6435       22.28481  118.6141 10.08336 110.4243 10.03365 
8.189781       14.22492 
1 1 1 -5  8  17 o 185.6455 5.098109 351.0288       19.24619  344.9641       
26.94154  357.3493       27.50362  183.8761 7.205195 187.1459 7.227004 
-3.269791      10.20512 
1 1 1 -5  8  18 o 116.8417 6.848092 139.8051       16.20011  152.4486       
22.58359  126.4022       23.25185  121.6953 9.193566 110.5301 10.46970 
11.16520       13.93328 
1 1 1 -5  8  19 o 143.9593 7.004817 211.6811       20.50632  232.8086       
25.35097  171.6908       34.87765  150.6084 8.309550 128.1667 13.58929 
22.44174       15.92851 
1 1 1 -5  8  20 o 251.1790 5.021036 643.2424       25.64650  626.5541       
35.64242  661.1594       36.93117  247.5658 7.079865 254.2986 7.141635 
-6.732758      10.05622 
1 1 1 -5  8  21 o 183.4718 5.939960 343.7353       22.16176  347.8619       
31.00064  339.4221       31.69379  184.1989 8.276225 181.8965 8.568373 
2.302338       11.91272 
1 1 1 -5  8  22 f 85.32597 10.69446 76.28833       18.14867  73.82415       
25.48325  78.82452       25.85293  82.57505 15.75069 85.48115 15.44089 
-2.906097      22.05687 
1 1 1 -5  8  23 o 118.9625 8.605601 146.4378       20.67767  121.8321       
28.86584  172.3716       29.63459  107.0290 13.56726 128.2932 11.48045 
-21.26421      17.77277 
1 1 1 -5  8  24 o 46.67365 16.29433 21.67739       19.02417  35.00824       
26.42093  7.324450       27.41509  57.17465 19.22528 43.86612 18.34943 
13.30853       26.57655 
1 1 1 -5  8  25 o 71.68433 13.94982 57.28983       19.60323  40.54654       
27.27352  75.18462       28.19577  59.44279 19.51926 80.50336 17.70493 
-21.06057      26.35273 
1 1 1 -5  9  1  o 336.9110 3.697285 1154.717       25.33084  1106.748       
34.90847  1208.065       36.81386  329.7555 5.205798 344.5154 5.254740 
-14.75986      7.396798 
1 1 1 -5  9  2  o 87.97882 3.487462 78.73550       6.239346  72.60441       
8.710547  85.19606       8.941521  84.30837 5.104760 91.37112 4.829433 
-7.062752      7.027233 
1 1 1 -5  9  3  o 524.6786 4.890860 2801.479       52.18312  2747.113       
72.64486  2859.439       75.00803  519.3412 6.878610 529.8414 6.961623 
-10.50018      9.786699 
1 1 1 -5  9  4  o 209.6630 3.217314 447.1299       13.71724  444.0098       
19.36545  450.2718       19.43294  208.8893 4.558898 210.3578 4.542852 
-1.468445      6.435919 
1 1 1 -5  9  5  o 283.6136 3.540330 818.2445       20.41843  803.6772       
28.67854  833.2200       29.07763  281.0099 5.018615 286.1294 4.997412 
-5.119446      7.082417 
1 1 1 -5  9  6  f 279.3583 4.112649 793.9874       23.36332  817.0160       
40.47195  782.4778       28.61217  283.2122 7.027335 277.2813 5.074332 
5.930939       8.667889 
1 1 1 -5  9  7  o 217.2958 4.104646 480.3489       18.13754  499.9366       
32.29334  471.3227       21.92178  221.5603 7.167531 215.2163 5.008980 
6.344009       8.744333 
1 1 1 -5  9  8  f 312.4691 3.865435 993.1359       24.56161  1056.312       
36.05016  938.4031       33.55467  322.1886 5.502317 303.6778 5.433610 
18.51077       7.733021 
1 1 1 -5  9  9  o 432.6844 4.543248 1904.422       39.97506  1873.560       
55.96384  1936.572       57.12045  429.0667 6.414035 436.2207 6.439229 
-7.154053      9.088648 
1 1 1 -5  9  10 o 375.5688 4.334989 1434.661       33.10769  1417.482       
46.52940  1452.279       47.11886  373.2494 6.130233 377.8029 6.133072 
-4.553497      8.671467 
1 1 1 -5  9  11 o 250.3532 4.086827 637.4574       20.80611  658.4789       
29.65705  617.0831       29.19691  254.4128 5.732415 246.2837 5.829750 
8.129120       8.175975 
1 1 1 -5  9  12 f 404.4326 4.629250 1663.740       38.07222  1710.575       
54.68859  1619.696       53.03401  410.0039 6.559298 398.9650 6.536847 
11.03888       9.260386 
1 1 1 -5  9  13 o 165.9164 5.240662 280.0736       17.68182  296.0852       
24.76402  263.4210       25.25494  170.5474 7.140433 160.8493 7.721039 
9.698090       10.51666 
1 1 1 -5  9  14 o 348.6255 5.318357 1236.816       37.70405  1199.578       
63.84188  1256.761       46.72267  343.0544 9.151479 351.3496 6.539382 
-8.295227      11.24780 
1 1 1 -5  9  15 o 119.0899 7.477515 145.0962       18.01664  159.1687       
22.52184  120.0849       30.02524  124.5964 8.948478 107.3456 14.09542 
17.25077       16.69599 
1 1 1 -5  9  16 o 76.24994 9.825253 60.39433       14.88029  50.27602       
21.00860  70.58096       21.07940  68.54631 15.44229 81.94434 13.09050 
-13.39803      20.24415 
1 1 1 -5  9  17 o 93.15795 7.930859 89.25551       14.88121  107.7676       
21.18601  71.22751       20.90718  102.0628 10.35094 82.26738 12.92332 
19.79546       16.55761 
1 1 1 -5  9  18 o 177.4707 5.302554 320.9820       19.13653  310.0725       
26.62088  332.6477       27.52819  174.2256 7.513788 180.4579 7.501537 
-6.232300      10.61744 
1 1 1 -5  9  19 f 139.0253 7.243008 198.0340       20.40606  202.8508       
24.69998  187.6780       36.21691  140.4776 8.689113 134.0672 13.46629 
6.410385       16.02628 
1 1 1 -5  9  20 o 182.2348 5.645588 338.8586       20.92146  290.1028       
29.07057  391.2428       30.13284  168.0238 8.536117 195.5384 7.578035 
-27.51459      11.41455 
1 1 1 -5  9  21 f 107.9378 8.580889 120.2750       18.67917  126.4278       
26.43376  114.1384       26.39896  109.9080 12.02319 104.1828 12.72508 
5.725143       17.50671 
1 1 1 -5  9  22 o 54.03504 15.66854 31.39256       18.22065  46.11377       
26.31210  17.82926       25.25610  64.96768 18.82605 48.12917 18.44003 
16.83852       26.35251 
1 1 1 -5  9  23 o 130.0722 7.958152 174.5675       20.94856  135.3265       
29.11230  216.7043       30.16735  113.0604 12.89293 144.2873 10.35030 
-31.22684      16.53349 
1 1 1 -5  9  24 o 43.71711 15.98020 17.58154       18.51488  26.10616       
25.57880  8.199548       26.83429  51.78424 18.80506 43.80115 18.22367 
7.983093       26.18649 
1 1 1 -5  9  25 o 61.01262 15.17269 42.40427       18.74591  52.89969       
27.32559  33.07368       25.76464  66.80942 19.13483 54.76992 18.97143 
12.03949       26.94544 
1 1 1 -5  10 1  o 273.9642 3.375733 763.4893       18.80673  745.0739       
26.27787  782.8265       26.92750  270.5796 4.775772 277.3501 4.774373 
-6.770477      6.752973 
1 1 1 -5  10 2  o 412.3171 4.143890 1729.704       34.74489  1762.879       
49.78520  1698.204       48.51290  416.1122 5.883534 408.4118 5.841273 
7.700409       8.290745 
1 1 1 -5  10 3  o 187.2232 3.118426 356.5360       11.87262  354.9866       
16.72239  358.1108       16.85929  186.7812 4.402645 187.6008 4.419296 
-0.8195953     6.238065 
1 1 1 -5  10 4  o 152.6500 3.211231 237.0221       9.968272  247.5427       
14.25674  226.9593       13.94302  155.9712 4.494947 149.3434 4.591129 
6.627808       6.425186 
1 1 1 -5  10 5  o 147.7989 3.419404 222.2073       10.27716  226.9844       
14.68904  217.6265       14.38395  149.3458 4.836701 146.2348 4.836999 
3.110947       6.840339 
1 1 1 -5  10 6  o 162.1092 3.956901 267.3474       13.04411  270.8648       
22.12125  265.4724       16.15072  163.0896 6.670094 161.5156 4.917292 
1.573990       8.286731 
1 1 1 -5  10 7  o 225.7001 4.130233 518.2198       18.95649  491.8461       
32.94335  531.2755       23.17835  219.7554 7.371853 228.4979 4.988257 
-8.742508      8.900951 
1 1 1 -5  10 8  o 275.5888 3.739558 772.5051       20.95720  807.5809       
30.42008  740.8182       28.91322  281.7243 5.309879 269.8296 5.269331 
11.89474       7.480687 
1 1 1 -5  10 9  f 454.5543 5.413341 2102.153       50.03830  2056.578       
60.22823  2203.711       89.90735  449.5323 6.588519 465.1023 9.505944 
-15.56998      11.56596 
1 1 1 -5  10 10 o 664.4491 6.083729 4491.944       82.20212  4468.641       
115.7930  4515.620       116.7152  662.5036 8.594936 665.9745 8.618234 
-3.470947      12.17156 
1 1 1 -5  10 11 o 366.9584 4.363005 1369.614       32.55772  1401.495       
46.58405  1339.171       45.52147  371.1436 6.172255 362.7974 6.170220 
8.346161       8.727448 
1 1 1 -5  10 12 o 174.5490 4.724713 309.9152       16.77043  329.4241       
24.08428  291.5526       23.36596  179.9226 6.582585 169.2603 6.788552 
10.66234       9.455944 
1 1 1 -5  10 13 o 368.5419 4.631433 1381.715       34.70993  1327.377       
47.89670  1441.813       50.37123  361.1311 6.522127 376.3728 6.581319 
-15.24164      9.265631 
1 1 1 -5  10 14 o 43.63626 15.05732 17.63664       16.22257  1.648604       
27.94381  25.76437       19.92382  43.51086 18.38083 51.08858 16.67870 
-7.577721      24.82003 
1 1 1 -5  10 15 o 245.1441 5.360835 611.7852       26.72424  635.2919       
33.33728  569.5180       44.70300  249.7326 6.564528 236.2320 9.305648 
13.50066       11.38807 
1 1 1 -5  10 16 o 109.7958 7.053246 123.4227       15.66470  131.9615       
22.48766  115.3735       21.83330  113.1871 9.868760 105.7139 10.28661 
7.473221       14.25506 
1 1 1 -5  10 17 o 213.9321 4.924686 466.1490       21.42427  457.5150       
29.70549  475.5086       30.92849  211.7657 6.898103 215.8740 7.045420 
-4.108337      9.860110 
1 1 1 -5  10 18 o 83.52831 8.796403 72.17941       14.71676  71.76664       
20.67074  72.60372       20.95751  82.52699 12.72627 82.99426 12.83162 
-0.4672699     18.07231 
1 1 1 -5  10 19 o 341.6202 5.649301 1190.330       39.24549  1178.550       
47.80659  1214.676       68.72630  339.6599 6.921371 344.0103 9.824266 
-4.350403      12.01755 
1 1 1 -5  10 20 o 197.8406 5.447360 399.3163       21.91558  399.9330       
31.21120  398.7164       30.77991  197.6501 7.765366 197.3658 7.669091 
0.2842712      10.91402 
1 1 1 -5  10 21 o 137.5203 7.054146 194.0010       19.66068  201.6689       
27.88064  186.4163       27.72879  139.6354 9.882578 134.1387 10.24285 
5.496689       14.23311 
1 1 1 -5  10 22 o 182.4431 6.133103 340.2518       22.75407  318.7947       
32.15835  361.7643       32.19991  175.8282 9.024420 187.6757 8.437140 
-11.84752      12.35417 
1 1 1 -5  10 23 o 28.36092 13.15481 -14.60804      18.12175  -13.62490      
25.71644  -15.57778      25.54051  35.57173 16.19011 34.84563 15.96404 
0.7260933      22.73698 
1 1 1 -5  10 24 o 95.33595 10.45776 96.01594       19.94146  118.1040       
27.95246  73.12286       28.45728  104.6597 13.44464 80.23209 17.89702 
24.42757       22.38440 
1 1 1 -5  10 25 o 37.31387 15.29348 7.579002       18.52031  18.37575       
26.60848  -2.566773      25.79385  47.22897 18.68619 38.23402 16.89150 
8.994957       25.18921 
1 1 1 -5  11 1  o 345.2776 3.747090 1212.831       26.30959  1221.874       
37.41649  1203.987       37.00172  346.4653 5.310702 343.9213 5.290678 
2.543945       7.496321 
1 1 1 -5  11 2  o 188.9367 3.101332 363.0944       11.91560  368.4521       
16.92833  357.8333       16.77514  190.2897 4.374691 187.5268 4.398973 
2.762909       6.203941 
1 1 1 -5  11 3  o 459.4112 4.458254 2147.658       41.65028  2121.434       
58.36573  2174.868       59.45412  456.4210 6.288411 462.1290 6.326556 
-5.708008      8.920170 
1 1 1 -5  11 4  o 337.6969 3.750716 1160.151       25.75685  1132.669       
35.92805  1189.211       36.94458  333.5818 5.296389 341.8053 5.315211 
-8.223419      7.503546 
1 1 1 -5  11 5  o 246.2197 3.902738 616.7590       19.54086  634.6115       
33.48051  607.5357       24.06491  249.6252 6.595567 244.3340 4.843385 
5.291260       8.182901 
1 1 1 -5  11 6  o 292.2346 4.179118 868.8381       24.83520  868.8677       
42.46815  868.8228       30.61613  292.0750 7.150189 292.1876 5.152726 
-0.1126099     8.813387 
1 1 1 -5  11 7  o 271.7016 4.255215 750.9961       23.51067  785.0635       
42.31741  735.7856       28.27625  277.6400 7.495242 268.9018 5.171026 
8.738220       9.105941 
1 1 1 -5  11 8  o 170.8381 3.788634 296.8553       13.16191  284.2428       
18.61339  309.4688       18.61410  167.1372 5.476471 174.4014 5.248568 
-7.264175      7.585460 
1 1 1 -5  11 9  o 473.2820 5.555762 2278.962       53.47061  2251.421       
64.72578  2338.152       94.88865  470.3415 6.767255 479.0739 9.740031 
-8.732391      11.86018 
1 1 1 -5  11 10 o 534.5114 5.227087 2906.349       56.81567  2917.804       
80.46126  2894.957       80.23818  535.4330 7.389759 533.3320 7.398302 
2.101013       10.45674 
1 1 1 -5  11 11 o 268.7226 4.118657 734.4471       22.50667  767.4169       
32.25886  703.1771       31.41634  274.6480 5.775918 262.8989 5.876456 
11.74918       8.239779 
1 1 1 -5  11 12 o 218.1699 6.219936 484.3414       27.59511  484.3414       
27.59511  0.000000       0.000000  218.1699 6.219936 ?        ?        
0.000000       6.219936 
1 1 1 -5  11 13 o 517.9658 5.288443 2729.804       55.70322  2680.399       
77.72393  2781.979       79.87251  513.0782 7.449373 522.7036 7.514333 
-9.625305      10.58104 
1 1 1 -5  11 14 o 221.8512 5.489207 500.9352       24.76411  523.6773       
43.28674  489.8705       30.19324  226.6118 9.393358 219.3300 6.769557 
7.281830       11.57852 
1 1 1 -5  11 15 o 296.3752 5.255549 894.2299       31.67462  883.3154       
38.73808  916.2469       55.01933  294.4661 6.469212 299.6358 9.029635 
-5.169708      11.10788 
1 1 1 -5  11 16 o 28.13351 12.41838 -4.217436      13.91184  10.34999       
19.39158  -19.66652      19.96978  40.90096 16.02411 29.01283 13.57395 
11.88813       21.00058 
1 1 1 -5  11 17 o 186.8534 5.100799 355.6813       19.38165  355.2443       
27.01685  356.1447       27.82038  186.5681 7.121080 186.7841 7.324394 
-0.2160187     10.21550 
1 1 1 -5  11 18 o 56.45947 12.73837 34.14680       14.27742  38.38652       
19.70727  29.46336       20.71289  59.74086 15.93019 53.50507 16.96357 
6.235786       23.27088 
1 1 1 -5  11 19 o 136.4355 7.520080 190.9191       20.78361  169.8632       
24.81308  240.4223       38.04618  128.3108 9.578739 152.1094 12.40806 
-23.79855      15.67521 
1 1 1 -5  11 20 o 76.14514 12.64147 61.56077       18.88803  67.63232       
30.91138  57.94315       23.86054  78.34609 19.48378 72.96894 16.47074 
5.377151       25.51280 
1 1 1 -5  11 21 o 135.0811 7.347025 187.3676       20.10580  176.8187       
27.22628  200.0204       29.81791  130.5791 10.33780 138.8525 10.64118 
-8.273346      14.83593 
1 1 1 -5  11 22 o 185.7651 6.119117 352.8062       23.11555  353.4907       
33.13501  352.1573       32.26306  185.4060 8.788444 185.1069 8.571004 
0.2991486      12.27595 
1 1 1 -5  11 23 o 118.8956 8.467066 146.3898       20.33777  153.6055       
29.63770  139.9681       27.95952  120.6393 12.25100 115.1529 12.12203 
5.486412       17.23458 
1 1 1 -5  11 24 o 157.5373 7.108122 255.7390       22.77140  259.4809       
32.33704  252.0583       32.07185  157.2989 10.16370 154.9913 10.23332 
2.307632       14.42296 
1 1 1 -5  11 25 o 51.83290 16.01607 30.41857       18.58716  32.39933       
27.52453  28.75808       25.20128  54.48643 19.54482 51.93321 18.69408 
2.553223       27.04568 
1 1 1 -5  12 1  o 325.8112 5.134274 1080.444       34.01704  1019.390       
44.86050  1163.046       52.17952  316.3338 6.973761 337.8289 7.595421 
-21.49512      10.31134 
1 1 1 -5  12 2  o 323.5429 4.250731 1065.115       27.96707  1091.212       
34.32027  1013.532       48.25046  327.4275 5.154471 315.3704 7.523659 
12.05707       9.119979 
1 1 1 -5  12 3  o 216.3412 3.202561 476.0754       14.08926  452.2848       
19.40235  502.6153       20.49277  210.8239 4.525671 222.2445 4.534384 
-11.42059      6.406429 
1 1 1 -5  12 4  o 92.92973 4.155695 87.86562       7.853255  90.94612       
12.62167  85.91972       10.03156  94.26505 6.626503 91.71500 5.402551 
2.550041       8.549743 
1 1 1 -5  12 5  o 374.8998 4.603796 1430.146       35.09803  1529.351       
62.57026  1384.600       42.39621  387.3954 7.942588 368.8110 5.652905 
18.58435       9.748849 
1 1 1 -5  12 6  o 340.5325 3.872991 1179.639       26.81986  1143.153       
37.25045  1218.909       38.64606  335.1444 5.465729 346.0696 5.491492 
-10.92520      7.747947 
1 1 1 -5  12 7  o 362.2630 4.693269 1335.165       34.57410  1422.719       
62.97049  1297.381       41.36707  373.7102 8.286110 357.0486 5.697392 
16.66165       10.05584 
1 1 1 -5  12 8  o 389.9827 4.244861 1547.029       33.66357  1610.844       
48.93597  1489.702       46.38163  397.8569 6.048530 382.6091 5.961277 
15.24783       8.492440 
1 1 1 -5  12 9  o 191.7972 4.599636 374.1869       17.93978  371.3709       
21.76081  380.1611       31.69596  191.0548 5.601000 193.2381 8.066028 
-2.183258      9.819980 
1 1 1 -5  12 10 o 279.2087 4.026094 792.8755       22.85937  821.4098       
32.66899  765.5023       31.99753  284.1484 5.653782 274.3058 5.736277 
9.842682       8.054199 
1 1 1 -5  12 11 o 229.6741 4.171697 536.5177       19.48392  519.9916       
27.15273  554.0592       27.97448  226.0730 5.906272 233.3615 5.894969 
-7.288483      8.344741 
1 1 1 -5  12 12 f 589.7209 5.695496 3538.479       68.30138  3376.544       
92.80133  3729.874       100.8904  575.8815 7.924460 605.2343 8.197374 
-29.35278      11.40149 
1 1 1 -5  12 13 o 477.6609 5.088716 2321.472       49.42872  2324.138       
70.14398  2318.843       69.66402  477.7666 7.219768 477.2258 7.178492 
0.5407715      10.18115 
1 1 1 -5  12 14 o 339.9275 5.317183 1176.067       36.75525  1150.633       
62.89662  1189.257       45.29390  335.8935 9.208189 341.7419 6.517636 
-5.848358      11.28141 
1 1 1 -5  12 15 o 99.48882 8.650931 101.7588       17.32781  90.18439       
21.09174  125.7909       30.39202  93.21231 11.36238 109.8662 13.91521 
-16.65385      17.96488 
1 1 1 -5  12 16 o 99.88913 7.499826 102.3769       15.12304  98.69022       
21.00002  106.3487       21.79663  97.58791 10.76104 101.3503 10.73941 
-3.762413      15.20312 
1 1 1 -5  12 17 o 201.4337 5.000817 413.3558       20.48446  447.7600       
29.03772  379.2735       28.90155  209.4756 6.816754 192.7325 7.374200 
16.74315       10.04226 
1 1 1 -5  12 18 o 204.3610 5.086567 425.6305       21.13851  409.3304       
29.79873  442.1415       29.99092  200.1595 7.320996 208.0585 7.088480 
-7.898956      10.19036 
1 1 1 -5  12 19 o 289.7001 5.677152 856.2098       33.44495  850.4534       
40.59214  868.3779       59.01743  288.4894 6.919275 290.7315 9.982441 
-2.242096      12.14601 
1 1 1 -5  12 20 o 180.9921 6.886726 334.9786       25.34683  342.0025       
43.61005  331.3954       31.14819  181.4948 11.88159 179.7502 8.521421 
1.744598       14.62145 
1 1 1 -5  12 21 o 201.9458 5.782634 416.4987       23.74718  434.5898       
34.38355  399.9985       32.83697  205.8227 8.214971 197.4696 8.177325 
8.353088       11.59113 
1 1 1 -5  12 22 o 122.1842 8.072229 153.9482       19.94371  159.1432       
28.02170  148.6153       28.39126  123.4291 11.28917 119.0707 11.88418 
4.358437       16.39143 
1 1 1 -5  12 23 o 89.82391 10.68292 84.98276       19.13074  104.6839       
28.74961  69.32698       25.62850  98.39759 14.82836 79.17506 16.45494 
19.22253       22.15051 
1 1 1 -5  12 24 o 47.67181 17.35070 21.95106       21.79301  33.32325       
26.54799  -1.546060      38.16073  55.78474 19.26138 46.80969 20.61966 
8.975056       28.21650 
1 1 1 -5  12 25 f 37.51376 15.22190 8.742738       18.12047  12.94656       
25.27198  4.294667       25.99578  43.84881 17.90605 40.67715 17.47287 
3.171658       25.01855 
1 1 1 -5  13 1  o 68.92571 4.256912 48.52110       5.937401  42.96528       
9.175124  52.52390       7.787894  64.55608 7.106848 71.63269 5.385768 
-7.076614      8.917050 
1 1 1 -5  13 2  o 123.3021 3.490037 154.6553       8.750888  151.6202       
13.76475  156.7141       11.33684  122.0430 5.546311 124.1012 4.492260 
-2.058205      7.137364 
1 1 1 -5  13 3  o 208.5600 3.601649 442.4831       15.27509  409.9908       
24.40170  463.4196       19.58759  200.6700 5.979793 213.4072 4.513575 
-12.73714      7.492014 
1 1 1 -5  13 4  o 87.59952 5.470006 78.41222       9.695335  82.40401       
12.19681  71.56036       15.97964  89.69910 6.735806 83.20315 9.621931 
6.495949       11.74533 
1 1 1 -5  13 5  o 169.0285 4.761086 290.7198       16.36505  303.8152       
22.07207  274.7319       24.38822  172.7443 6.283302 164.2297 7.302591 
8.514603       9.633677 
1 1 1 -5  13 6  o 137.8784 4.302324 193.4017       12.06287  198.2988       
14.69143  183.2689       21.13292  139.5954 5.175371 133.9052 7.794590 
5.690155       9.356287 
1 1 1 -5  13 7  o 643.3885 8.282208 4216.509       108.3605  4202.799       
152.9641  4230.320       153.5272  641.7611 11.72100 643.8579 11.72584 
-2.096802      16.57942 
1 1 1 -5  13 8  o 421.0319 5.116731 1803.470       43.80856  1821.410       
53.92736  1768.657       75.12360  423.0579 6.268418 416.7010 8.865442 
6.356842       10.85768 
1 1 1 -5  13 9  o 929.7354 9.227279 8803.483       174.4554  8792.944       
213.2729  8824.795       303.2791  928.7990 11.29179 929.3148 16.04827 
-0.5157471     19.62273 
1 1 1 -5  13 10 o 414.3471 4.524630 1746.268       38.12402  1759.727       
54.05565  1732.948       53.77646  415.8640 6.392022 412.6869 6.407965 
3.177185       9.050964 
1 1 1 -5  13 11 o 299.3297 4.190420 911.3120       25.50697  919.8795       
36.06091  902.7336       36.08371  300.6840 5.897595 297.8665 5.957143 
2.817444       8.382671 
1 1 1 -5  13 12 o 235.5944 8.768982 565.3460       42.01124  0.000000       
0.000000  565.3460       42.01124  ?        ?        235.5944 8.768982 
0.000000       8.768982 
1 1 1 -5  13 13 o 791.2583 7.082468 6375.091       113.9605  6397.189       
161.7515  6353.311       160.5838  792.0499 10.04256 789.3377 10.00431 
2.712219       14.17531 
1 1 1 -5  13 14 o 223.6470 5.528330 509.1640       25.14250  409.8938       
41.30213  567.6086       31.69095  200.1272 10.18241 236.0751 6.601365 
-35.94788      12.13506 
1 1 1 -5  13 15 o 265.6682 5.259259 718.6520       28.41290  690.5549       
34.69705  775.8459       49.50353  260.3207 6.554392 275.6812 8.830343 
-15.36050      10.99705 
1 1 1 -5  13 16 o 556.4436 5.626531 3154.795       63.66685  3170.093       
90.36627  3139.717       89.71431  557.2047 7.975175 554.5343 7.955764 
2.670349       11.26488 
1 1 1 -5  13 17 o 220.3382 4.863444 494.5713       21.79140  494.4149       
30.76411  494.7289       30.87154  220.0943 6.873598 220.1615 6.895496 
-0.6719971E-01 9.736233 
1 1 1 -5  13 18 o 42.81269 14.12756 18.17397       14.28080  -15.58419      
19.88788  54.10902       20.51910  30.07162 13.88910 70.98106 14.69934 
-40.90944      20.22320 
1 1 1 -5  13 19 o 293.1265 5.022603 876.0280       29.93887  815.1147       
39.72768  956.0903       45.54613  282.4065 6.917785 305.7587 7.325228 
-23.35223      10.07545 
1 1 1 -5  13 20 o 74.67205 13.40238 59.60547       19.60341  57.06127       
33.70687  60.90586       24.09804  72.16306 21.41939 74.80874 16.30150 
-2.645683      26.91708 
1 1 1 -5  13 21 o 185.1037 6.120836 350.1578       23.03973  353.7323       
32.51457  346.5530       32.65206  185.5841 8.615605 183.6639 8.742496 
1.920242       12.27436 
1 1 1 -5  13 22 o 153.9988 6.883927 242.9447       21.55782  237.6763       
30.10452  248.4899       30.88519  151.4311 9.829246 154.8420 9.859982 
-3.410934      13.92240 
1 1 1 -5  13 23 o 117.3153 8.404971 142.6857       19.91842  109.2617       
28.87657  173.0228       27.51082  100.5783 14.54063 128.5419 10.61975 
-27.96361      18.00580 
1 1 1 -5  13 24 o 92.99043 12.49364 93.36688       23.02769  112.4682       
28.43824  56.99184       39.24392  101.3989 14.17959 69.58293 23.43052 
31.81600       27.38704 
1 1 1 -5  13 25 o 26.69993 12.59980 -17.34479      17.86563  -5.550144      
25.66464  -28.43375      24.88503  36.87753 16.53436 30.09277 14.39078 
6.784761       21.91985 
1 1 1 -5  14 1  o 310.1417 5.045767 978.8820       31.82282  0.000000       
0.000000  978.8820       31.82282  ?        ?        310.1417 5.045767 
0.000000       5.045767 
1 1 1 -5  14 2  o 326.5085 4.151770 1084.625       27.56634  1112.898       
47.09546  1069.890       33.99911  330.5473 7.006385 324.2285 5.156619 
6.318817       8.699434 
1 1 1 -5  14 3  o 373.7631 4.497468 1421.437       34.18345  1391.256       
57.06181  1438.331       42.69174  369.5272 7.593601 375.9042 5.584898 
-6.376984      9.426233 
1 1 1 -5  14 4  o 331.8463 4.266298 1120.387       28.78986  1064.598       
47.22537  1153.383       36.31927  323.2927 7.183367 336.6397 5.305427 
-13.34702      8.930191 
1 1 1 -5  14 5  o 272.5719 4.997400 756.0183       27.69980  0.000000       
0.000000  756.0183       27.69980  ?        ?        272.5719 4.997400 
0.000000       4.997400 
1 1 1 -5  14 6  o 550.8326 5.155914 3087.389       57.75328  3090.588       
81.86362  3084.220       81.48863  550.9064 7.307380 550.3416 7.281373 
0.5648193      10.31582 
1 1 1 -5  14 7  o 160.1628 3.727935 260.9143       12.14175  288.2180       
17.73624  236.8334       16.65662  168.3069 5.182130 152.5639 5.368880 
15.74294       7.461859 
1 1 1 -5  14 8  o 249.4164 3.743332 632.7068       18.98605  638.3663       
26.95454  627.1341       26.74732  250.4916 5.291605 248.2779 5.297742 
2.213684       7.487801 
1 1 1 -5  14 9  o 506.8255 5.794733 2613.460       59.72322  2629.952       
73.28741  2580.855       103.0463  508.3414 7.089612 503.3296 10.06766 
5.011780       12.31342 
1 1 1 -5  14 10 o 160.8667 4.421031 263.2151       14.46242  261.4692       
20.16091  265.0658       20.75807  160.3045 6.184618 161.4007 6.324559 
-1.096146      8.845878 
1 1 1 -5  14 11 o 520.4269 6.009295 2755.863       63.59672  2715.289       
76.93124  2843.436       113.0232  516.4902 7.324688 528.2335 10.52180 
-11.74329      12.82027 
1 1 1 -5  14 12 o 277.4625 6.190624 783.4971       34.92932  783.4971       
34.92932  0.000000       0.000000  277.4625 6.190624 ?        ?        
0.000000       6.190624 
1 1 1 -5  14 13 o 471.9124 5.842494 2266.754       56.06749  2263.220       
68.86031  2273.703       96.57558  471.4168 7.183109 472.1445 10.05868 
-0.7277222     12.36018 
1 1 1 -5  14 14 o 114.5358 9.561638 134.8123       22.06661  139.4276       
31.99718  130.6263       30.47244  115.8349 13.85896 112.1045 13.64866 
3.730446       19.45139 
1 1 1 -5  14 15 o 134.0898 6.853773 183.7645       18.62616  182.2932       
23.06857  186.5202       31.57143  133.3587 8.551507 134.4442 11.66341 
-1.085419      14.46248 
1 1 1 -5  14 16 o 288.9226 5.261705 850.3990       30.91430  840.9881       
38.25581  868.1102       52.48132  287.1672 6.551054 291.4012 8.856499 
-4.233948      11.01607 
1 1 1 -5  14 17 o 109.0886 8.137026 122.3389       17.92093  106.7043       
21.78826  155.0355       31.50877  101.4011 10.72941 121.9775 12.89849 
-20.57639      16.77771 
1 1 1 -5  14 18 o 387.6605 5.653739 1532.766       44.56960  1545.441       
54.84826  1508.127       76.47174  388.9555 6.934443 383.3366 9.810005 
5.618866       12.01344 
1 1 1 -5  14 19 o 143.9562 7.264529 212.4917       21.19753  241.3150       
26.35088  159.6367       35.68348  153.2058 8.491223 123.0513 14.54142 
30.15456       16.83905 
1 1 1 -5  14 20 o 186.2605 11.57812 360.1267       43.63704  360.1267       
43.63704  0.000000       0.000000  186.2605 11.57812 ?        ?        
0.000000       11.57812 
1 1 1 -5  14 21 o 161.0526 6.743808 265.4127       22.08637  315.7813       
31.22685  214.9924       31.24286  175.2891 8.760355 143.8657 10.75713 
31.42346       13.87298 
1 1 1 -5  14 22 f 167.0749 6.661546 285.9081       22.63276  313.7481       
32.15070  258.5584       31.86631  174.2412 9.105391 157.8696 9.977506 
16.37169       13.50773 
1 1 1 -5  14 23 o 131.7416 7.977147 179.5574       21.27012  180.8900       
30.42851  178.2840       29.74414  131.0197 11.53845 130.1378 11.35319 
0.8818817      16.18736 
1 1 1 -5  14 24 o 133.3390 9.661711 186.9495       26.01999  191.9577       
31.48012  176.1497       46.22831  134.1294 11.65740 123.8826 18.95312 
10.24678       22.25119 
1 1 1 -5  14 25 o 30.03555 13.68053 -8.414175      18.40519  1.995414       
26.86326  -17.62392      25.26770  40.12926 17.49743 32.94526 15.36570 
7.184002       23.28658 
1 1 1 -5  15 1  o 319.8684 3.623949 1040.769       23.57246  998.5989       
48.63369  1053.717       26.94969  313.0858 7.638752 321.8317 4.117879 
-8.745911      8.677986 
1 1 1 -5  15 2  o 293.8137 6.580749 879.0427       39.31867  879.0427       
39.31867  0.000000       0.000000  293.8137 6.580749 ?        ?        
0.000000       6.580749 
1 1 1 -5  15 3  o 555.2849 5.873822 3138.795       66.32665  3109.505       
112.6569  3154.334       82.05537  552.0670 10.03494 556.4867 7.251049 
-4.419739      12.38054 
1 1 1 -5  15 4  o 228.6928 3.331850 531.9651       15.49492  520.3719       
21.79049  543.8230       22.03784  226.1453 4.738360 231.1867 4.687645 
-5.041397      6.665289 
1 1 1 -5  15 5  o 193.8701 4.770518 382.4197       18.80737  0.000000       
0.000000  382.4197       18.80737  ?        ?        193.8701 4.770518 
0.000000       4.770518 
1 1 1 -5  15 6  o 106.0016 4.181631 114.3015       9.013836  133.6111       
13.26264  97.72557       12.28806  114.5830 5.691912 97.78989 6.211501 
16.79313       8.424999 
1 1 1 -5  15 7  o 316.6269 3.867770 1019.700       24.90347  1000.109       
35.00449  1039.778       35.43716  313.5137 5.490550 319.6726 5.451324 
-6.158966      7.737123 
1 1 1 -5  15 8  o 421.5516 4.441324 1807.590       38.07278  1834.538       
54.52549  1781.951       53.18561  424.5937 6.315018 418.4675 6.250014 
6.126221       8.884938 
1 1 1 -5  15 9  f 87.27091 6.961919 78.00327       12.25239  86.67463       
14.89618  59.86668       21.54315  91.92114 8.050212 75.31075 14.59398 
16.61040       16.66704 
1 1 1 -5  15 10 o 99.77895 5.729270 101.6254       11.57616  98.82024       
16.20855  104.5459       16.53877  98.18177 8.193084 101.0122 8.120133 
-2.830467      11.53530 
1 1 1 -5  15 11 o 321.3283 4.284609 1050.248       27.99701  1021.766       
39.10694  1080.194       40.09920  316.8779 6.068905 325.8128 6.052239 
-8.934875      8.570951 
1 1 1 -5  15 12 o 65.56194 11.97433 45.23482       15.37619  60.09990       
18.91311  16.25593       26.40706  75.69946 12.73859 48.93028 18.82943 
26.76918       22.73366 
1 1 1 -5  15 13 o 435.4309 4.905702 1929.354       43.43820  1939.488       
61.77531  1919.444       61.09217  436.3937 6.961215 434.1370 6.920019 
2.256683       9.815558 
1 1 1 -5  15 14 o 278.3745 4.620973 788.6726       26.15858  764.6191       
37.14160  812.3472       36.84780  273.9545 6.667003 282.3961 6.416547 
-8.441589      9.253161 
1 1 1 -5  15 15 o 291.3815 5.230160 864.6610       30.99048  883.1528       
38.76962  831.9348       51.57636  294.3542 6.476940 285.3803 8.887411 
8.973877       10.99713 
1 1 1 -5  15 16 o 113.2111 6.707985 131.2044       15.37419  126.0489       
21.55783  136.5403       21.93176  110.5442 9.687721 115.1234 9.451667 
-4.579208      13.53462 
1 1 1 -5  15 17 o 169.2666 5.402184 292.0670       18.59482  283.4616       
25.61997  301.6463       27.03081  166.5486 7.564605 171.7878 7.737763 
-5.239197      10.82110 
1 1 1 -5  15 18 f 158.0876 5.791976 254.9740       18.61984  253.2224       
26.54226  256.6713       26.12749  157.0404 8.341330 158.1435 8.152204 
-1.103058      11.66346 
1 1 1 -5  15 19 o 102.7034 8.152825 108.7488       16.88721  84.28387       
23.61475  134.3539       24.15880  89.17604 13.43946 113.7379 10.56599 
-24.56190      17.09559 
1 1 1 -5  15 20 o 168.1772 7.022697 289.4637       24.01720  369.1565       
42.59291  252.3120       29.08152  188.6768 11.15066 156.3926 9.184585 
32.28416       14.44624 
1 1 1 -5  15 21 o 86.84924 15.84719 81.70139       26.95658  81.70139       
26.95658  0.000000       0.000000  86.84924 15.84719 ?        ?        
0.000000       15.84719 
1 1 1 -5  15 22 o 99.43725 9.951822 103.2307       19.85330  104.6579       
27.96226  101.7799       28.19278  98.79076 14.33769 97.26972 14.71267 
1.521034       20.54342 
1 1 1 -5  15 23 o 125.3949 8.331293 163.1316       21.12347  139.6767       
29.97818  186.2605       29.76912  114.2778 13.13915 133.0309 11.10585 
-18.75308      17.20398 
1 1 1 -5  15 24 o 58.68350 17.46096 39.51597       22.37932  46.97853       
27.31702  24.28480       39.02617  63.38679 19.38820 55.00239 22.33169 
8.384396       29.57375 
1 1 1 -5  15 25 o 54.89851 16.00369 35.21886       18.96342  68.14073       
27.80286  6.579701       25.93148  74.99397 18.37517 41.14824 17.55694 
33.84573       25.41443 
1 1 1 -5  16 1  o 517.0022 4.845116 2719.700       50.93871  2607.333       
100.9704  2758.063       58.99667  505.6400 9.819770 520.5748 5.573051 
-14.93472      11.29100 
1 1 1 -5  16 2  o 457.9521 5.186909 2134.197       48.30367  2124.231       
85.05898  2138.940       58.68446  456.4662 9.163473 458.3676 6.295899 
-1.901398      11.11790 
1 1 1 -5  16 3  o 471.7688 5.298430 2264.989       50.83091  2265.190       
89.71558  2264.894       61.68741  471.3457 9.360023 471.6597 6.431560 
-0.3139954     11.35672 
1 1 1 -5  16 4  o 97.74544 4.530643 97.20392       9.005500  82.91249       
17.98816  101.9839       10.40306  89.61002 10.04423 99.97967 5.134112 
-10.36964      11.28032 
1 1 1 -5  16 5  o 278.1469 7.541947 787.8853       42.65886  787.8853       
42.65886  0.000000       0.000000  278.1469 7.541947 ?        ?        
0.000000       7.541947 
1 1 1 -5  16 6  o 96.69358 4.443944 95.11237       8.738112  104.4811       
12.99985  87.39069       11.80194  101.1181 6.354360 92.44668 6.315639 
8.671463       8.959084 
1 1 1 -5  16 7  o 278.8935 3.737127 791.1068       21.19472  793.9507       
30.06402  788.2967       29.88450  279.3500 5.292329 278.3540 5.279553 
0.9960327      7.475455 
1 1 1 -5  16 8  o 263.1799 3.803938 704.4556       20.35811  693.9016       
28.58890  715.3131       28.99687  261.1628 5.383129 265.1616 5.377606 
-3.998840      7.608990 
1 1 1 -5  16 9  o 330.4463 4.736598 1110.736       31.82869  1136.517       
39.23827  1061.137       54.42495  334.2242 5.773253 322.8403 8.290082 
11.38388       10.10227 
1 1 1 -5  16 10 o 319.9070 4.156963 1040.926       27.04278  1092.888       
39.03331  992.9634       37.50122  327.7383 5.856750 312.3947 5.903237 
15.34363       8.315631 
1 1 1 -5  16 11 o 459.5678 4.866338 2148.626       45.47821  2187.142       
65.07422  2111.856       63.58348  463.5387 6.903535 455.4938 6.864524 
8.044952       9.735527 
1 1 1 -5  16 12 f 814.9469 8.342265 6766.211       138.2499  6751.211       
169.1387  6796.405       239.9735  813.6369 10.22259 815.1326 14.47717 
-1.495728      17.72257 
1 1 1 -5  16 13 o 583.6891 5.701437 3468.210       67.67329  3490.824       
96.34382  3446.187       95.07773  585.2327 8.095504 581.4885 8.040560 
3.744202       11.40999 
1 1 1 -5  16 14 o 116.6272 6.842540 139.0903       16.15707  113.8314       
22.58951  165.5467       23.11879  104.9750 10.73299 127.0323 9.007928 
-22.05733      14.01213 
1 1 1 -5  16 15 o 71.98550 11.24346 54.34898       15.92057  41.94155       
19.49556  79.18736       27.58395  62.53594 15.42620 86.16265 16.34087 
-23.62671      22.47202 
1 1 1 -5  16 16 o 306.2451 4.669423 955.2155       29.07929  967.9540       
40.83700  942.1121       41.41780  308.0309 6.519407 303.8625 6.702835 
4.168396       9.350436 
1 1 1 -5  16 17 o 247.4046 4.707284 623.6310       23.68261  599.9015       
32.60477  650.1323       34.45642  242.4101 6.614226 252.3392 6.714815 
-9.929123      9.425323 
1 1 1 -5  16 18 o 208.3577 5.187984 442.6715       21.98161  436.1026       
31.29389  449.0692       30.88355  206.4928 7.452521 209.5736 7.246681 
-3.080826      10.39493 
1 1 1 -5  16 19 o 217.0486 5.245353 480.6174       23.15171  473.1881       
32.79256  488.0006       32.69060  214.9868 7.500878 218.3532 7.362273 
-3.366409      10.51029 
1 1 1 -5  16 20 f 142.6008 7.807752 209.1031       22.55520  229.9628       
39.34331  198.8909       27.52812  148.0769 13.20422 138.6068 9.830306 
9.470169       16.46167 
1 1 1 -5  16 21 o 190.6604 6.048793 371.6522       23.45204  380.9919       
33.52268  362.6994       32.82084  192.5105 8.563136 187.8250 8.593001 
4.685532       12.13124 
1 1 1 -5  16 22 o 162.2828 6.900208 270.1167       22.77120  234.8438       
32.04546  306.0934       32.36359  150.0959 10.56638 171.9082 9.292330 
-21.81223      14.07110 
1 1 1 -5  16 23 o 94.39102 10.15401 93.88010       19.18379  105.2221       
27.48030  83.09856       26.79272  98.47852 14.12696 86.64607 15.78774 
11.83244       21.18546 
1 1 1 -5  16 24 o 58.68874 17.10166 39.74615       21.65865  45.83369       
26.52498  27.56737       37.51767  62.46996 19.10461 55.42992 22.10687 
7.040035       29.21814 
1 1 1 -5  16 25 o 38.86670 15.44054 11.72906       18.23663  11.07333       
26.47803  12.32085       25.15387  43.08917 18.02951 42.93965 17.73600 
0.1495209      25.29089 
1 1 1 -5  17 1  o 29.96740 6.555988 9.500406       3.884093  22.49374       
14.80633  8.540191       4.025053  46.82691 14.26400 28.40151 7.011349 
18.42540       15.89404 
1 1 1 -5  17 2  o 261.7025 3.943047 696.6873       20.98414  680.5544       
24.69121  738.6422       39.81780  258.6297 4.694751 269.3179 7.270438 
-10.68823      8.654476 
1 1 1 -5  17 3  o 354.8806 3.834614 1281.073       27.67294  1287.072       
39.24396  1275.141       39.02784  355.6333 5.426490 353.9813 5.421792 
1.652008       7.670894 
1 1 1 -5  17 4  o 275.2154 4.934320 770.6664       27.61540  770.6664       
27.61540  0.000000       0.000000  275.2154 4.934320 ?        ?        
0.000000       4.934320 
1 1 1 -5  17 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -5  17 6  o 20.65530 8.907319 -0.7921438     6.807043  -9.029797      
10.05888  6.167403       9.245673  21.05781 9.779016 29.45103 11.18706 
-8.393219      14.85865 
1 1 1 -5  17 7  o 284.4493 3.771849 822.9327       21.81778  809.4470       
30.83402  836.4553       30.87602  282.0644 5.375643 286.7342 5.295299 
-4.669769      7.545709 
1 1 1 -5  17 8  o 487.9159 4.852501 2421.675       48.14620  2432.677       
68.55380  2410.965       67.63355  488.9058 6.895328 486.7233 6.833271 
2.182526       9.707685 
1 1 1 -5  17 9  o 208.6287 5.715226 442.8444       24.24706  423.2249       
34.28447  462.4777       34.29656  203.8827 8.269239 213.1400 7.912873 
-9.257278      11.44526 
1 1 1 -5  17 10 o 367.0677 5.030787 1370.723       37.55204  1327.169       
64.56022  1392.993       46.16490  360.9873 8.794712 369.9885 6.135815 
-9.001190      10.72358 
1 1 1 -5  17 11 o 126.6893 6.470773 163.7924       16.61486  177.2773       
29.84909  157.7387       19.99956  131.3509 11.28454 124.2004 7.960465 
7.150536       13.80978 
1 1 1 -5  17 12 o 111.7877 9.328827 128.2870       21.01293  125.8929       
30.56626  130.4323       28.93439  110.0721 13.97024 112.2397 12.91228 
-2.167557      19.02353 
1 1 1 -5  17 13 o 263.4161 5.193998 706.2884       27.82247  661.0428       
47.93064  729.2813       34.16822  254.5357 9.260045 267.6019 6.278873 
-13.06619      11.18806 
1 1 1 -5  17 14 o 310.7491 5.280746 983.3030       33.37003  1055.115       
59.62293  950.5477       40.26764  321.4225 9.121905 305.4142 6.483589 
16.00833       11.19134 
1 1 1 -5  17 15 o 355.3592 6.589485 1287.773       47.61793  1234.367       
66.68811  1343.325       68.01534  347.3740 9.440602 362.4297 9.228510 
-15.05573      13.20191 
1 1 1 -5  17 16 o 127.1033 7.238453 165.5064       18.63173  147.5653       
31.75197  174.9280       23.00953  118.8746 13.36681 130.4660 8.723062 
-11.59142      15.96131 
1 1 1 -5  17 17 o 310.3024 5.433828 981.8318       34.28802  957.6196       
58.59945  994.4371       42.28168  305.5734 9.430321 312.0630 6.662825 
-6.489624      11.54661 
1 1 1 -5  17 18 o 39.88160 15.34815 11.33950       17.54595  16.03672       
30.16525  8.937690       21.57029  50.26056 19.89266 41.46675 16.68396 
8.793816       25.96291 
1 1 1 -5  17 19 o 207.9303 6.197183 441.7676       26.20375  466.6976       
46.44771  430.1288       31.73642  212.3996 10.78917 204.9164 7.616048 
7.483109       13.20645 
1 1 1 -5  17 20 o 81.65990 15.36672 72.15884       24.58124  0.000000       
0.000000  72.15884       24.58124  ?        ?        81.65990 15.36672 
0.000000       15.36672 
1 1 1 -5  17 21 o 177.1887 7.499414 322.0570       27.02183  272.5818       
46.35927  347.5156       33.25522  160.5683 14.34910 183.7288 8.900845 
-23.16045      16.88555 
1 1 1 -5  17 22 o 129.4409 9.446829 174.1963       24.69446  200.3365       
46.00429  163.6156       29.26861  135.6945 17.04822 124.7016 11.67793 
10.99290       20.66436 
1 1 1 -5  17 23 o 67.82539 16.39865 51.91762       22.36882  8.824955       
39.17225  72.76860       27.24834  50.66326 21.59677 80.20480 17.22105 
-29.54154      27.62218 
1 1 1 -5  17 24 o 116.8357 12.19506 147.9216       28.54713  159.5531       
41.43071  137.4078       39.39004  117.4631 17.91157 108.4281 18.53022 
9.035072       25.77195 
1 1 1 -5  18 1  o 56.37815 5.305868 32.62898       6.011453  65.68053       
16.67472  27.69157       6.444842  79.55974 10.56805 51.78548 6.246117 
27.77426       12.27590 
1 1 1 -5  18 2  o 782.5742 9.684412 6243.250       154.1169  6269.109       
218.7539  6217.767       217.1632  783.1570 13.73585 779.9565 13.69192 
3.200500       19.39439 
1 1 1 -5  18 3  o 169.4278 4.383113 292.0264       15.10145  292.0264       
15.10145  0.000000       0.000000  169.4278 4.383113 ?        ?        
0.000000       4.383113 
1 1 1 -5  18 4  o 563.5853 5.200378 3231.876       59.59996  3151.190       
82.59100  3319.548       86.09213  556.3105 7.300691 570.9653 7.414848 
-14.65479      10.40577 
1 1 1 -5  18 5  o 157.8139 3.440709 253.3027       11.04192  257.3003       
15.80308  249.4894       15.43471  159.0305 4.886634 156.5989 4.846837 
2.431686       6.882661 
1 1 1 -5  18 6  o 966.2498 8.201164 9507.469       161.1448  9355.777       
224.4665  9668.790       231.4817  957.7970 11.52462 973.6448 11.69135 
-15.84778      16.41660 
1 1 1 -5  18 7  o 845.1489 7.303799 7270.670       125.5259  7380.002       
180.0907  7167.365       175.0573  850.9889 10.40677 838.6655 10.26455 
12.32343       14.61718 
1 1 1 -5  18 8  o 418.0312 4.441366 1777.511       37.75520  1732.457       
52.52446  1825.676       54.30802  412.6181 6.259820 423.5713 6.305014 
-10.95313      8.884737 
1 1 1 -5  18 9  o 77.90769 7.922258 62.43179       12.37645  56.78938       
14.81190  75.48432       22.52816  73.97443 10.11116 84.96733 13.48908 
-10.99290      16.85796 
1 1 1 -5  18 10 o 389.7068 4.439393 1544.887       35.18139  1496.335       
48.77702  1597.534       50.79214  383.4474 6.255443 396.1990 6.304226 
-12.75159      8.881094 
1 1 1 -5  18 11 o 338.8983 4.353258 1168.393       30.00097  1181.405       
42.66467  1155.667       42.19479  340.6903 6.158247 336.9588 6.157871 
3.731537       8.708811 
1 1 1 -5  18 12 o 560.9286 5.506150 3202.516       62.80685  3233.587       
89.67358  3172.597       87.99482  563.3423 7.827818 558.0153 7.754603 
5.326965       11.01856 
1 1 1 -5  18 13 o 266.0533 4.591184 720.3937       24.83961  723.6259       
35.57642  717.3193       34.69710  266.5177 6.564244 265.3642 6.429830 
1.153503       9.188689 
1 1 1 -5  18 14 o 103.2838 7.220313 109.3215       15.06950  111.2092       
21.69126  107.5604       20.95098  103.7418 10.42304 102.0385 10.23487 
1.703316       14.60795 
1 1 1 -5  18 15 o 334.7109 5.336167 1141.479       36.32041  1136.226       
44.86385  1151.471       61.87210  333.7538 6.610265 335.5126 9.068481 
-1.758850      11.22199 
1 1 1 -5  18 16 o 100.2046 7.396646 103.1390       14.96556  112.8476       
21.20866  93.51078       21.12062  104.4020 10.11665 94.74304 11.17767 
9.658913       15.07604 
1 1 1 -5  18 17 o 127.2489 6.443341 165.7563       16.61876  159.8289       
23.14352  172.0662       23.87868  124.5060 9.206153 129.2204 9.146245 
-4.714371      12.97717 
1 1 1 -5  18 18 f 282.0226 4.839365 810.9254       27.75389  844.6377       
39.88945  779.2915       38.64021  287.4362 6.824411 276.0806 6.882594 
11.35553       9.692404 
1 1 1 -5  18 19 o 145.2187 6.487198 215.6337       19.15716  213.8146       
26.46207  217.6370       27.76983  143.9396 9.087140 145.1358 9.460816 
-1.196121      13.11805 
1 1 1 -5  18 20 o 197.2509 6.529070 398.1046       26.18918  358.0089       
44.10990  419.9338       32.54658  185.4022 11.76045 202.2892 7.911910 
-16.88699      14.17415 
1 1 1 -5  18 21 o 42.07675 15.72814 14.69937       18.11221  31.51789       
26.38390  -0.2910711     24.90877  55.83516 19.20615 39.57993 17.05372 
16.25523       25.68473 
1 1 1 -5  18 22 o 189.0426 6.363222 366.4284       24.46178  366.3449       
35.01258  366.5081       34.19044  188.1826 9.149409 188.3014 8.928934 
-0.1187897     12.78427 
1 1 1 -5  18 23 o 41.11995 15.71521 13.92378       18.31502  -15.23163      
26.00620  42.61367       25.79774  34.83599 16.01452 61.20263 18.86158 
-26.36665      24.74316 
1 1 1 -5  18 24 o 120.7533 9.730752 154.8395       23.69165  184.5614       
29.46931  100.5242       39.83758  131.0418 11.16531 89.46979 22.04016 
41.57199       24.70693 
1 1 1 -5  19 1  o 187.5568 3.765251 357.8028       14.36078  327.6702       
27.76529  368.8078       16.77952  179.3858 7.611368 190.4082 4.333536 
-11.02240      8.758565 
1 1 1 -5  19 2  o 283.8649 5.292682 819.8992       30.55195  779.5949       
42.16140  864.4651       44.33444  276.6991 7.493003 291.3720 7.482419 
-14.67291      10.58922 
1 1 1 -5  19 3  o 197.3702 3.170002 396.1841       12.72309  364.1508       
17.46641  432.3958       18.57066  189.1972 4.539809 206.1675 4.429509 
-16.97035      6.342744 
1 1 1 -5  19 4  o 511.1057 4.844588 2657.640       50.35226  2637.008       
70.83632  2678.713       71.58730  508.9701 6.844037 512.9775 6.862562 
-4.007385      9.692038 
1 1 1 -5  19 5  o 655.2234 5.869457 4368.685       78.20576  4382.234       
111.0372  4355.347       110.1673  655.9713 8.323999 653.9609 8.284179 
2.010437       11.74379 
1 1 1 -5  19 6  o 104.8420 4.367001 111.8084       9.310438  113.2799       
13.41584  110.4412       12.93141  105.3182 6.292952 103.9965 6.141964 
1.321701       8.793462 
1 1 1 -5  19 7  o 375.0082 4.155524 1430.407       31.68969  1448.208       
45.36943  1413.448       44.28232  377.2647 5.913788 372.7130 5.842578 
4.551727       8.313159 
1 1 1 -5  19 8  o 705.5497 6.311917 5065.684       90.56081  4931.688       
125.1048  5213.192       131.2616  695.8774 8.840765 715.4381 9.022234 
-19.56073      12.63170 
1 1 1 -5  19 9  o 532.3770 5.993984 2884.074       64.89127  2903.146       
79.71355  2846.605       111.7299  534.0278 7.340351 528.4841 10.39648 
5.543701       12.72664 
1 1 1 -5  19 10 o 141.0444 4.929880 202.3965       14.13981  203.3456       
20.13785  201.4735       19.85851  141.3300 7.006921 140.6795 6.941676 
0.6504822      9.863256 
1 1 1 -5  19 11 o 431.9270 4.787501 1898.222       42.05045  1876.199       
58.39233  1921.947       60.60607  429.2707 6.689184 434.4573 6.859897 
-5.186615      9.581408 
1 1 1 -5  19 12 o 216.7646 4.534141 478.1237       19.98641  462.8959       
28.49814  492.8634       28.03760  213.1923 6.573452 220.0016 6.267055 
-6.809280      9.082193 
1 1 1 -5  19 13 o 240.4748 5.210298 588.7723       25.47907  569.4885       
43.42665  598.8951       31.46366  236.1834 9.041813 242.4514 6.381653 
-6.267960      11.06706 
1 1 1 -5  19 14 o 271.7500 4.472258 751.8234       24.71428  762.1710       
35.31816  741.8948       34.59557  273.4362 6.351710 269.7795 6.306089 
3.656677       8.950474 
1 1 1 -5  19 15 o 78.41595 10.39634 64.12945       16.16944  64.15052       
19.66428  64.08546       28.41275  77.93562 12.85601 76.87381 18.41718 
1.061806       22.46040 
1 1 1 -5  19 16 o 64.41248 11.30857 43.90471       14.27215  60.34359       
20.22609  27.60239       20.14191  75.25681 13.72205 52.00407 16.75371 
23.25274       21.65598 
1 1 1 -5  19 17 o 96.09455 7.889567 95.14370       15.28105  84.34999       
20.72559  108.0005       22.61979  89.71309 11.63453 101.8078 11.10603 
-12.09475      16.08435 
1 1 1 -5  19 18 o 160.8464 5.938072 264.2011       19.42264  296.9579       
27.33302  230.7904       27.60451  170.2426 7.895285 149.6235 9.116016 
20.61916       12.05974 
1 1 1 -5  19 19 o 229.2123 5.237163 536.2574       24.41099  539.4706       
34.47769  533.0275       34.56719  229.4607 7.388876 228.0711 7.453193 
1.389618       10.49503 
1 1 1 -5  19 20 o 57.91395 14.93678 36.57784       17.70583  48.60094       
25.90935  26.04341       24.25234  66.37175 18.50261 52.02636 18.37975 
14.34539       26.07991 
1 1 1 -5  19 21 o 143.7887 7.361102 212.7531       21.45164  208.0172       
30.61351  217.3217       30.06823  141.2302 10.73991 144.5154 10.29895 
-3.285248      14.87999 
1 1 1 -5  19 22 o 90.04027 11.10342 85.86181       19.89966  85.87294       
28.69577  85.85151       27.61979  87.99509 16.64618 88.25537 15.97786 
-0.2602844     23.07352 
1 1 1 -5  19 23 o 61.69251 15.11601 42.93443       18.81486  57.40318       
26.62813  28.50886       26.58838  70.25889 18.41417 52.84850 19.17548 
17.41039       26.58534 
1 1 1 -5  19 24 o 56.55985 16.79856 37.52300       20.72753  54.85872       
25.67465  5.078156       35.12420  67.45264 18.26733 45.67426 19.95891 
21.77837       27.05649 
1 1 1 -5  20 1  o 277.8243 5.299678 785.3326       29.94133  759.7031       
41.86156  812.1772       42.84235  273.1595 7.536118 282.4397 7.459268 
-9.280182      10.60348 
1 1 1 -5  20 2  o 522.7578 7.116472 2782.006       75.65134  2776.510       
106.9050  2787.518       107.0695  521.9186 10.07265 522.9528 10.06820 
-1.034180      14.24173 
1 1 1 -5  20 3  o 430.6793 5.024806 1887.099       44.00729  1837.931       
52.26075  2006.942       81.59083  424.9735 6.047311 443.8413 9.039869 
-18.86783      10.87608 
1 1 1 -5  20 4  o 625.0069 5.637681 3974.797       71.65338  4030.844       
102.5954  3921.426       100.1164  629.1581 8.018935 620.5699 7.933470 
8.588135       11.28022 
1 1 1 -5  20 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -5  20 6  o 749.9947 6.583855 5724.605       100.4130  5698.966       
141.5630  5750.567       142.4520  747.9630 9.307183 751.3391 9.323544 
-3.376038      13.17392 
1 1 1 -5  20 7  o 72.39022 6.100401 53.70310       8.896585  41.10542       
12.72510  65.74840       12.44299  62.68984 10.34261 79.98943 7.746698 
-17.29959      12.92211 
1 1 1 -5  20 8  o 163.8429 4.065309 273.0452       13.54480  252.3779       
18.90687  294.8353       19.41365  157.4883 5.903641 170.2271 5.608249 
-12.73874      8.142815 
1 1 1 -5  20 9  o 537.6529 6.041858 2941.775       66.05777  2957.909       
81.09406  2909.955       113.8832  539.0063 7.398502 534.2628 10.48222 
4.743530       12.83023 
1 1 1 -5  20 10 o 357.3846 4.315628 1299.336       31.36399  1252.374       
43.49851  1350.189       45.26497  350.7749 6.098099 364.2150 6.111574 
-13.44006      8.633548 
1 1 1 -5  20 11 o 22.92867 10.86458 -16.41403      13.53923  -24.22452      
16.40374  0.2784962      23.98086  24.01921 11.53835 39.84669 16.93972 
-15.82748      20.49603 
1 1 1 -5  20 12 o 137.9191 5.566144 193.6637       15.61098  214.2758       
22.54396  174.6743       21.63839  144.7834 7.684542 130.6274 8.187274 
14.15591       11.22870 
1 1 1 -5  20 13 f 473.0894 5.841294 2279.959       56.19577  2219.218       
95.32995  2312.307       69.56836  465.8820 10.06241 476.2036 7.184021 
-10.32162      12.36375 
1 1 1 -5  20 14 f 343.0455 4.571747 1198.285       31.89227  1176.439       
44.83558  1220.659       45.37420  339.6520 6.491383 345.9831 6.449152 
-6.331116      9.150389 
1 1 1 -5  20 15 o 228.6321 5.364017 532.7966       24.93899  545.2563       
31.38978  511.4700       41.06723  231.1342 6.678403 223.5069 9.035521 
7.627350       11.23573 
1 1 1 -5  20 16 f 280.8227 4.623580 803.5563       26.40353  871.9724       
38.05333  740.0386       36.66578  292.2465 6.403123 269.1790 6.698357 
23.06747       9.266498 
1 1 1 -5  20 17 o 78.11484 9.505092 63.57681       14.78753  75.73519       
20.27344  49.75405       21.61658  84.78951 12.10134 67.66700 15.96698 
17.12251       20.03465 
1 1 1 -5  20 18 o 100.2245 9.407964 104.1911       18.94995  85.73947       
22.58926  148.0215       34.81544  90.05971 12.68599 118.1302 14.81918 
-28.07045      19.50750 
1 1 1 -5  20 19 o 196.4452 5.607271 394.2011       22.39982  389.2180       
31.73116  399.1511       31.62536  194.7309 8.013083 197.2294 7.885195 
-2.498520      11.24214 
1 1 1 -5  20 20 o 191.9238 5.983138 376.6778       23.35121  370.2405       
33.52672  382.7427       32.54246  189.6754 8.692177 192.9550 8.293595 
-3.279587      12.01406 
1 1 1 -5  20 21 o 63.69385 17.11310 44.99634       22.63862  43.35523       
27.04260  48.84050       41.38849  62.80004 19.30424 68.12001 24.01645 
-5.319969      30.81304 
1 1 1 -5  20 22 o 102.4504 12.09360 111.8293       24.70962  109.3719       
29.97386  117.0414       43.65284  100.0191 15.21680 100.0247 22.05439 
-0.5691528E-02 26.79453 
1 1 1 -5  20 23 f 79.79745 11.87080 69.04883       18.67614  88.39728       
26.56521  50.14024       26.26151  88.85909 15.25067 65.39427 18.76705 
23.46481       24.18233 
1 1 1 -5  20 24 o 30.46771 14.04380 -11.48335      20.18238  -50.74229      
24.66651  68.03243       35.10468  25.64120 12.69438 72.56820 21.93191 
-46.92700      25.34080 
1 1 1 -5  21 1  o 381.5203 5.968046 1481.206       46.30215  1405.154       
63.60715  1566.931       67.53114  371.4447 8.420936 392.2413 8.466411 
-20.79657      11.94120 
1 1 1 -5  21 2  o 121.3805 6.183300 150.3256       15.21177  153.6445       
21.66013  147.0956       21.36822  122.5065 8.752240 119.8456 8.830078 
2.660843       12.43270 
1 1 1 -5  21 3  o 341.8856 5.708181 1189.358       39.68533  1278.514       
58.69805  1114.291       53.86053  354.3291 8.146395 330.7994 8.006719 
23.52972       11.42240 
1 1 1 -5  21 4  o 335.8409 3.802778 1147.181       25.97083  1122.723       
36.35732  1172.663       37.11088  332.1866 5.382182 339.4944 5.375480 
-7.307861      7.606817 
1 1 1 -5  21 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -5  21 6  o 261.7650 5.187666 697.1114       27.61437  697.1114       
27.61437  0.000000       0.000000  261.7650 5.187666 ?        ?        
0.000000       5.187666 
1 1 1 -5  21 7  o 611.5786 5.633844 3805.697       70.06619  3780.166       
98.62211  3831.715       99.56170  609.3085 7.959496 613.4465 7.981126 
-4.138000      11.27173 
1 1 1 -5  21 8  f 408.2204 4.413056 1695.163       36.63411  1631.044       
50.52974  1766.210       53.18942  400.3350 6.206862 416.5885 6.278655 
-16.25348      8.828739 
1 1 1 -5  21 9  o 205.6356 4.795083 430.2155       20.05145  468.4769       
24.89357  359.5291       33.83566  214.5575 5.705477 187.8449 8.857757 
26.71259       10.53624 
1 1 1 -5  21 10 o 25.53270 11.21974 -3.069932      11.23704  9.214258       
15.61849  -16.25248      16.17951  37.42662 14.45888 26.09975 12.21327 
11.32687       18.92679 
1 1 1 -5  21 11 o 286.7056 4.913228 836.5539       28.64537  841.6385       
35.26226  826.6876       49.12034  287.5085 6.031261 284.7502 8.482931 
2.758270       10.40847 
1 1 1 -5  21 12 o 93.23769 7.279224 89.15231       13.69215  84.67323       
19.58397  93.43534       19.15057  90.35797 10.87665 95.10616 10.05441 
-4.748192      14.81191 
1 1 1 -5  21 13 o 270.9588 5.070573 747.6797       27.93906  767.4911       
48.50024  737.8403       34.18010  274.1039 8.701162 269.0598 6.247022 
5.044037       10.71147 
1 1 1 -5  21 14 o 242.8670 4.590136 600.7014       22.66969  608.0151       
32.26542  593.5712       31.85802  244.1436 6.498909 241.2268 6.494442 
2.916824       9.187688 
1 1 1 -5  21 15 o 334.4231 5.289372 1140.071       35.97095  1128.792       
44.04935  1162.647       62.32017  332.5440 6.513867 336.8713 9.097313 
-4.327301      11.18890 
1 1 1 -5  21 16 o 135.9833 5.942453 188.7234       16.43247  165.5255       
22.76836  213.9437       23.74013  126.7548 8.889400 144.3260 8.121871 
-17.57122      12.04102 
1 1 1 -5  21 17 o 181.9605 5.317015 337.8015       19.67417  350.1735       
26.98125  323.7545       28.74985  185.0040 7.171823 177.7617 7.953272 
7.242233       10.70932 
1 1 1 -5  21 18 o 213.3502 5.963554 465.0981       25.87317  467.8061       
31.32742  459.2875       45.88877  213.7288 7.207923 210.5923 10.75132 
3.136459       12.94392 
1 1 1 -5  21 19 o 112.9688 12.62120 134.4766       28.49860  142.3040       
40.34402  126.6809       40.26233  114.3161 17.94588 107.2467 19.16466 
7.069366       26.25526 
1 1 1 -5  21 20 o 255.2809 5.342315 665.7960       27.73315  631.2072       
38.55530  702.8795       39.92156  247.9399 7.646914 261.6860 7.501974 
-13.74608      10.71237 
1 1 1 -5  21 21 o 139.5563 7.437999 200.7581       21.03233  169.7594       
29.53502  232.6508       29.95790  127.0499 11.55812 149.4998 9.910344 
-22.44991      15.22515 
1 1 1 -5  21 22 o 112.4340 8.964539 132.0069       20.32602  119.8112       
28.93307  143.8911       28.56120  105.1776 13.86556 116.1260 12.28105 
-10.94839      18.52237 
1 1 1 -5  21 23 o 79.72543 11.73668 69.09566       18.45867  44.97344       
25.61889  95.13766       26.61881  61.84594 18.74586 92.28012 14.67646 
-30.43418      23.80768 
1 1 1 -5  21 24 o 29.59904 13.49043 -7.876925      17.93395  -37.94660      
25.36695  22.17134       25.35791  28.26181 13.75923 47.46387 18.39911 
-19.20205      22.97485 
1 1 1 -5  22 1  o 490.7426 6.871019 2451.343       68.56876  2413.036       
96.08824  2491.090       97.87829  486.6279 9.710059 494.4329 9.734812 
-7.805054      13.74961 
1 1 1 -5  22 2  o 312.5739 5.557667 994.1162       35.32618  989.8110       
49.99770  998.4080       49.91990  311.7834 7.885797 313.1371 7.839488 
-1.353699      11.11950 
1 1 1 -5  22 3  o 295.5457 5.480356 888.7326       32.93706  892.0373       
46.75063  885.4757       46.41130  295.9914 7.767065 294.9023 7.739167 
1.089172       10.96458 
1 1 1 -5  22 4  o 477.0602 4.634449 2315.161       44.95962  2300.112       
63.30161  2330.480       63.86716  475.3907 6.548060 478.5176 6.563391 
-3.126923      9.271202 
1 1 1 -5  22 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -5  22 6  o 293.8719 3.754964 878.3724       22.43961  863.0593       
31.55129  894.0463       31.92074  291.2513 5.327187 296.4348 5.295321 
-5.183533      7.511281 
1 1 1 -5  22 7  o 373.9546 4.190594 1422.467       31.86735  1404.145       
44.74640  1441.324       45.39507  371.4604 5.923714 376.3456 5.931580 
-4.885223      8.382961 
1 1 1 -5  22 8  o 189.4365 4.011460 365.0330       15.45317  351.3252       
21.76787  378.9601       21.94132  185.8039 5.761158 192.9780 5.591181 
-7.174149      8.028216 
1 1 1 -5  22 9  o 209.0267 4.805228 444.5545       20.42524  441.4878       
24.70452  451.1792       36.31003  208.2705 5.833073 210.4245 8.485526 
-2.154083      10.29703 
1 1 1 -5  22 10 f 186.6390 4.451225 354.4294       16.89404  390.9252       
24.15371  319.4749       23.63818  195.9543 6.061464 177.1242 6.562731 
18.83006       8.933688 
1 1 1 -5  22 11 o 247.7529 4.967364 624.7723       25.02627  643.3060       
30.88510  589.3366       42.70608  251.3365 6.042853 240.3564 8.737409 
10.98015       10.62348 
1 1 1 -5  22 12 o 286.5541 4.397361 835.7808       25.62419  853.6205       
36.95327  819.2584       35.56287  289.4380 6.278357 283.5632 6.167306 
5.874786       8.800763 
1 1 1 -5  22 13 o 328.3840 5.156838 1098.443       34.43634  1118.331       
59.82385  1088.587       42.11308  330.7490 8.894558 326.7556 6.337858 
3.993378       10.92161 
1 1 1 -5  22 14 o 151.1234 5.424584 232.7845       16.67053  270.5329       
24.24369  198.9277       22.96004  162.7516 7.325243 139.2532 8.143508 
23.49838       10.95335 
1 1 1 -5  22 15 o 214.2635 6.852592 468.9640       29.85757  468.9640       
29.85757  0.000000       0.000000  214.2635 6.852592 ?        ?        
0.000000       6.852592 
1 1 1 -5  22 16 o 170.9469 6.137793 298.3997       21.33658  305.7800       
25.61259  281.6633       38.56956  172.8975 7.284729 164.7999 11.58256 
8.097580       13.68294 
1 1 1 -5  22 17 o 145.6854 5.976542 216.7955       17.70588  230.8423       
24.44049  201.2809       25.68567  149.8408 8.050501 139.6691 9.093120 
10.17166       12.14477 
1 1 1 -5  22 18 o 239.1745 5.889177 584.6037       28.64315  589.7820       
34.35469  572.7964       51.87611  239.9702 7.040076 235.3244 10.84049 
4.645767       12.92590 
1 1 1 -5  22 19 o 29.86115 13.64147 -11.35796      18.47225  -38.57277      
33.02757  1.030510       22.28347  35.29507 16.79510 38.08934 16.26408 
-2.794277      23.37939 
1 1 1 -5  22 20 o 105.5845 8.825346 115.6863       18.77512  91.55897       
25.95365  142.1745       27.19382  92.26844 14.29462 116.3136 11.65388 
-24.04516      18.44313 
1 1 1 -5  22 21 o 123.4661 8.089805 157.8168       20.19898  154.0381       
29.23825  161.2668       27.93746  120.6624 12.07814 123.8101 11.21816 
-3.147682      16.48419 
1 1 1 -5  22 22 o 72.60423 12.84951 57.54000       18.27721  69.30638       
25.96795  45.98876       25.72945  78.20056 16.82834 63.33416 18.69255 
14.86641       25.15163 
1 1 1 -5  22 23 o 162.3747 7.644162 274.3769       25.24059  296.5888       
43.30782  262.9509       31.06143  164.8498 13.02502 157.5686 9.741727 
7.281250       16.26506 
1 1 1 -5  22 24 o 49.47142 17.48734 27.93025       21.95752  -20.82759      
36.27789  56.11860       27.58383  38.77064 18.18886 66.59361 19.26942 
-27.82296      26.49802 
1 1 1 -5  23 1  o 146.8147 5.905509 219.3428       17.63106  227.9224       
24.78200  210.5492       25.08900  149.3775 8.189524 143.5149 8.636988 
5.862595       11.90235 
1 1 1 -5  23 2  o 413.5792 6.261528 1740.778       52.66117  1651.481       
72.08597  1842.974       77.11655  402.6487 8.803857 425.3427 8.915736 
-22.69397      12.52989 
1 1 1 -5  23 3  o 350.8539 5.833356 1252.633       41.61944  1344.050       
61.33534  1174.622       56.65985  363.2811 8.302648 339.6194 8.204111 
23.66168       11.67225 
1 1 1 -5  23 4  o 348.8326 3.887278 1237.688       27.57491  1270.394       
39.59008  1206.871       38.42944  353.3477 5.509761 344.4014 5.487163 
8.946350       7.776015 
1 1 1 -5  23 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -5  23 6  o 323.1306 3.903911 1062.040       25.65248  1062.255       
36.34724  1061.826       36.20932  323.1020 5.531976 323.0376 5.512084 
0.6439209E-01  7.809342 
1 1 1 -5  23 7  o 236.1125 3.809860 567.0558       18.29277  562.6763       
25.75687  571.5130       25.98439  235.1539 5.386286 236.9931 5.391696 
-1.839157      7.621185 
1 1 1 -5  23 8  f 170.4862 4.163785 295.6794       14.43540  298.5768       
20.34711  292.7432       20.48305  171.2772 5.841870 169.5929 5.939305 
1.684326       8.330834 
1 1 1 -5  23 9  o 449.5702 5.480626 2057.100       50.10477  1999.551       
59.83794  2192.115       91.65274  443.1323 6.640363 463.5868 9.722165 
-20.45447      11.77348 
1 1 1 -5  23 10 o 346.3878 4.359286 1220.888       30.70643  1229.826       
43.60684  1212.097       43.24630  347.5213 6.170520 345.0078 6.164086 
2.513519       8.721885 
1 1 1 -5  23 11 o 339.3385 5.068389 1172.297       34.97474  1144.255       
42.37678  1232.207       61.94014  335.1482 6.217841 347.4637 8.766201 
-12.31543      10.74746 
1 1 1 -5  23 12 o 135.0493 6.535079 185.9286       17.94711  179.6272       
21.57697  200.0759       32.33028  132.4097 8.051673 139.2443 11.52125 
-6.834625      14.05591 
1 1 1 -5  23 13 o 194.1774 5.514790 384.2594       21.77604  367.7181       
26.49433  418.6994       38.22957  189.8315 6.863304 202.2623 9.294649 
-12.43077      11.55402 
1 1 1 -5  23 14 o 300.3011 4.504525 918.6337       27.50790  894.7763       
38.53018  943.4348       39.28488  296.0963 6.399066 304.0487 6.353761 
-7.952393      9.017667 
1 1 1 -5  23 15 o 186.6535 5.635003 355.4413       21.38856  352.0187       
26.42376  361.9449       36.42489  185.5817 7.001772 187.5151 9.584378 
-1.933411      11.86950 
1 1 1 -5  23 16 o 185.1879 5.083957 349.7884       19.14546  353.8615       
26.95908  345.6441       27.19399  185.9825 7.128226 183.7868 7.276244 
2.195724       10.18604 
1 1 1 -5  23 17 o 80.51259 9.530959 67.62724       15.30171  67.18655       
21.53232  68.07686       21.74909  79.17472 13.87975 79.69709 13.92679 
-0.5223694     19.66222 
1 1 1 -5  23 18 o 244.3980 5.887694 610.6026       29.26134  614.5016       
35.38236  602.1654       52.04824  244.8767 7.105391 241.2502 10.60930 
3.626450       12.76886 
1 1 1 -5  23 19 o 95.50813 10.97969 95.81499       20.93675  75.24918       
37.24047  105.3194       25.31655  81.29936 21.99333 99.64868 12.78854 
-18.34932      25.44117 
1 1 1 -5  23 20 o 64.19726 13.96506 45.00246       17.71227  11.92389       
25.34086  76.59949       24.76687  44.91499 18.07921 83.88673 15.07270 
-38.97174      23.53814 
1 1 1 -5  23 21 o 151.7596 7.853973 238.1502       24.15502  226.5026       
41.69891  244.0324       29.63318  145.2239 14.30579 153.0135 9.571632 
-7.789642      17.21255 
1 1 1 -5  23 22 o 136.6230 7.692174 193.8689       21.28403  231.9924       
30.62222  158.2387       29.60392  148.3382 10.21380 121.4643 12.14821 
26.87384       15.87138 
1 1 1 -5  23 23 o 82.96017 11.12093 74.85809       18.28903  93.94344       
26.07822  56.38554       25.65613  91.13877 14.56108 68.39946 18.14642 
22.73931       23.26623 
1 1 1 -5  24 1  o 587.6984 7.805421 3517.254       93.28294  3353.099       
126.9318  3710.025       137.5511  573.4007 10.88581 603.0916 11.21578 
-29.69086      15.62993 
1 1 1 -5  24 2  o 508.1907 7.066320 2629.175       73.02498  2619.290       
103.1940  2639.091       103.3521  506.9146 10.01078 508.8300 9.988379 
-1.915344      14.14155 
1 1 1 -5  24 3  o 347.5235 5.844703 1229.027       41.30456  1224.814       
58.27315  1233.280       58.55481  346.7793 8.263498 347.9748 8.274912 
-1.195557      11.69443 
1 1 1 -5  24 4  o 190.9261 4.834009 370.8586       18.76827  370.8586       
18.76827  0.000000       0.000000  190.9261 4.834009 ?        ?        
0.000000       4.834009 
1 1 1 -5  24 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -5  24 6  o 367.9540 4.137498 1377.245       30.95871  1343.666       
43.14726  1412.877       44.44606  363.3567 5.839406 372.5956 5.866028 
-9.238953      8.277014 
1 1 1 -5  24 7  o 384.6398 4.901608 1505.357       38.33931  1463.384       
46.58225  1593.494       67.50169  379.1694 6.041374 395.4674 8.393682 
-16.29800      10.34176 
1 1 1 -5  24 8  o 202.6890 4.657547 418.0172       19.19724  404.0043       
23.59599  445.4520       33.01604  199.2224 5.824365 209.1011 7.764570 
-9.878616      9.706275 
1 1 1 -5  24 9  o 255.3504 5.829006 663.8323       30.26792  663.8323       
30.26792  0.000000       0.000000  255.3504 5.829006 ?        ?        
0.000000       5.829006 
1 1 1 -5  24 10 o 206.9091 4.427030 435.6811       18.62702  464.1227       
26.17313  406.4907       26.51538  213.4745 6.029182 199.7528 6.527599 
13.72166       8.885977 
1 1 1 -5  24 11 o 106.2077 6.345235 115.3603       13.64158  121.6263       
19.47654  109.3261       19.11283  108.7721 8.882812 103.0414 9.218806 
5.730721       12.80198 
1 1 1 -5  24 12 o 279.8276 4.368944 797.2221       24.86099  758.6580       
34.81716  837.3375       35.51059  272.7831 6.276599 286.6019 6.092947 
-13.81873      8.747555 
1 1 1 -5  24 13 o 195.0456 4.685742 387.5240       18.58515  392.7090       
26.35721  382.3966       26.21014  196.1668 6.607278 193.5685 6.658605 
2.598297       9.380466 
1 1 1 -5  24 14 o 259.6842 4.480823 687.0438       23.66218  712.3795       
34.08658  663.4798       32.87314  264.1628 6.345420 254.9359 6.341015 
9.226883       8.970665 
1 1 1 -5  24 15 o 91.92525 8.865144 87.47712       16.36643  73.70792       
19.85158  116.6965       28.91853  83.64013 12.01667 105.1282 13.86544 
-21.48809      18.34805 
1 1 1 -5  24 16 o 99.02083 7.567636 101.0089       15.12298  116.1711       
21.24460  85.43296       21.53255  105.7539 9.997288 90.06565 12.05944 
15.68827       15.66448 
1 1 1 -5  24 17 o 68.27309 11.05386 49.40589       14.82209  43.18100       
20.73019  55.91670       21.20094  62.80148 16.14356 71.72951 15.01637 
-8.928024      22.04781 
1 1 1 -5  24 18 o 106.9911 11.52308 120.2188       24.67528  98.26355       
34.31668  143.7223       35.50594  94.24062 18.56713 115.7244 15.47534 
-21.48381      24.17074 
1 1 1 -5  24 19 o 145.8714 9.288755 220.5408       27.41025  0.000000       
0.000000  220.5408       27.41025  ?        ?        145.8714 9.288755 
0.000000       9.288755 
1 1 1 -5  24 20 o 150.1667 6.873058 231.4787       20.98819  221.7368       
30.69849  240.0290       28.75984  145.7284 10.42799 152.0323 9.347790 
-6.303894      14.00444 
1 1 1 -5  24 21 o 49.04011 15.77668 25.73459       17.86592  29.91706       
25.57937  21.75084       24.96432  53.82625 18.88841 49.09080 18.44245 
4.735451       26.39879 
1 1 1 -5  24 22 o 52.16743 15.53721 30.63001       17.71334  29.53661       
25.15685  31.70511       24.94537  52.68505 18.70787 53.88955 18.66731 
-1.204494      26.42826 
1 1 1 -5  24 23 o 76.71397 12.23716 65.38097       18.44858  80.69542       
26.02002  49.90010       26.16101  83.12617 15.97322 63.68042 18.86297 
19.44576       24.71751 
1 1 1 -5  25 1  o 322.0663 5.780577 1055.644       37.85890  1011.668       
52.10162  1104.836       55.10573  315.1431 8.130027 329.3274 8.228439 
-14.18427      11.56739 
1 1 1 -5  25 2  o 567.4732 7.699095 3279.570       88.84571  3174.224       
121.3489  3401.286       130.4363  557.8640 10.69685 577.4015 11.10885 
-19.53748      15.42172 
1 1 1 -5  25 3  o 631.1174 11.67645 4064.970       149.8553  4064.970       
149.8553  0.000000       0.000000  631.1174 11.67645 ?        ?        
0.000000       11.67645 
1 1 1 -5  25 4  o 145.0925 3.939374 214.1404       11.62315  175.7030       
13.96921  300.6274       20.95417  131.4057 5.227647 171.8648 5.995592 
-40.45914      7.954585 
1 1 1 -5  25 5  o 448.1509 8.811831 2046.647       80.30486  0.000000       
0.000000  2046.647       80.30486  ?        ?        448.1509 8.811831 
0.000000       8.811831 
1 1 1 -5  25 6  o 580.6554 5.423980 3431.245       64.04540  3445.329       
90.79287  3417.295       90.35646  581.5818 7.676963 579.2117 7.671327 
2.370178       10.85288 
1 1 1 -5  25 7  o 236.0068 3.890919 566.6193       18.67361  545.6842       
25.94281  589.1280       26.90014  231.5467 5.509687 240.5878 5.498313 
-9.041122      7.783836 
1 1 1 -5  25 8  o 125.0403 4.987856 159.1215       12.68281  146.3579       
17.68228  172.6455       18.20139  119.6347 7.303224 130.0069 6.909534 
-10.37222      10.05379 
1 1 1 -5  25 9  o 480.9753 5.722358 2355.530       55.96922  2338.183       
67.93839  2392.171       98.73782  479.0347 6.974240 483.9844 10.03230 
-4.949738      12.21831 
1 1 1 -5  25 10 o 270.6821 4.881344 745.9092       26.86893  736.7380       
32.96612  764.0577       46.37411  268.9243 6.028182 273.6266 8.334236 
-4.702301      10.28584 
1 1 1 -5  25 11 o 113.2546 6.103384 131.1068       14.00464  133.5690       
19.71959  128.6013       19.89265  114.0289 8.566772 111.8416 8.818102 
2.187233       12.29425 
1 1 1 -5  25 12 o 24.53560 11.26908 -9.394626      12.83752  -17.71468      
20.38290  -3.924435      16.52738  29.94724 13.91158 31.05804 13.62827 
-1.110798      19.47465 
1 1 1 -5  25 13 o 155.3742 5.086577 246.0530       16.07149  267.1025       
23.02155  226.0421       22.44639  161.7095 7.000799 148.7197 7.422096 
12.98979       10.20288 
1 1 1 -5  25 14 o 335.3425 4.567230 1146.006       31.14533  1191.331       
45.06178  1104.548       43.09623  341.5146 6.488548 328.8508 6.444495 
12.66382       9.145095 
1 1 1 -5  25 15 o 176.7340 6.874548 319.4440       24.70676  305.9861       
34.72726  333.2378       35.15799  172.1444 9.962927 179.7523 9.653631 
-7.607941      13.87273 
1 1 1 -5  25 16 o 156.6867 6.431845 251.0622       20.49364  242.2612       
33.55014  256.3007       25.88375  152.7391 10.87271 157.8486 8.090907 
-5.109497      13.55281 
1 1 1 -5  25 17 o 139.1951 6.095756 198.1571       17.25453  211.7036       
24.48620  184.7963       24.31784  143.2509 8.443003 133.6717 8.998481 
9.579239       12.33924 
1 1 1 -5  25 18 o 136.3524 6.669839 190.5114       18.49395  206.4130       
25.63632  173.2563       26.70519  141.2147 8.973968 128.9647 10.26800 
12.25000       13.63686 
1 1 1 -5  25 19 o 179.4607 8.951309 332.4261       32.66685  0.000000       
0.000000  332.4261       32.66685  ?        ?        179.4607 8.951309 
0.000000       8.951309 
1 1 1 -5  25 20 o 186.1917 6.018859 355.2856       22.78903  355.9347       
32.52510  354.6597       31.93998  185.5954 8.617872 185.3112 8.475815 
0.2841492      12.08748 
1 1 1 -5  25 21 o 76.34643 12.00870 62.94958       18.02819  76.00395       
26.51590  51.72735       24.58489  82.19806 16.43763 67.19887 17.73286 
14.99919       24.17954 
1 1 1 -5  25 22 o 167.3067 6.521708 289.2476       22.18841  301.7169       
31.26994  276.6026       31.48950  169.3657 9.112771 161.8415 9.611193 
7.524170       13.24453 
1 1 1 -5  25 23 o 66.35338 13.82990 50.70139       18.05592  56.50115       
25.92742  45.23998       25.15974  67.44770 18.39511 60.42394 18.62776 
7.023758       26.17964 
1 1 1 -5  26 1  o 138.3410 6.875433 194.8817       19.34204  222.4633       
27.09732  166.2306       27.61767  147.4476 9.081446 127.1786 10.78024 
20.26906       14.09561 
1 1 1 -5  26 2  o 231.9286 5.675416 547.4717       26.76723  572.4498       
38.18476  523.3394       37.53282  237.0488 7.921381 226.6402 8.143721 
10.40863       11.36083 
1 1 1 -5  26 3  o 295.8930 5.738544 891.1100       34.52931  909.2271       
49.36727  873.7582       48.31342  298.7336 8.126502 292.8498 8.112811 
5.883759       11.48293 
1 1 1 -5  26 4  o 441.3211 4.444861 1981.529       39.89003  1944.087       
44.80368  2124.693       87.60936  437.0930 5.040672 456.4891 9.437754 
-19.39615      10.69951 
1 1 1 -5  26 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -5  26 6  o 197.1240 3.847142 395.2990       15.42159  383.3035       
21.46114  408.1060       22.17524  194.0599 5.438331 200.2398 5.445861 
-6.179871      7.696288 
1 1 1 -5  26 7  o 211.7510 3.977196 456.1801       17.12592  461.4443       
24.21686  450.9134       24.22256  212.9061 5.593432 210.4596 5.659785 
2.446472       7.957365 
1 1 1 -5  26 8  o 230.2485 4.059185 539.4175       19.00584  509.9338       
26.23985  571.9562       27.56577  223.7863 5.766024 237.0080 5.719469 
-13.22168      8.121536 
1 1 1 -5  26 9  o 32.87883 13.04768 5.860281       13.00930  7.938200       
15.69127  1.291583       23.26697  36.60850 14.39225 39.59442 16.75183 
-2.985920      22.08531 
1 1 1 -5  26 10 f 493.8205 5.844770 2484.628       58.69323  2449.040       
71.53439  2557.940       102.6713  490.0128 7.178869 500.0250 10.09732 
-10.01212      12.38919 
1 1 1 -5  26 11 o 365.2381 4.483815 1358.361       33.30238  1411.793       
48.41925  1310.392       45.87687  372.0677 6.399480 358.4747 6.293379 
13.59299       8.975520 
1 1 1 -5  26 12 o 89.79547 8.049559 83.10126       14.54262  77.39053       
23.27559  86.75818       18.62568  85.48685 13.86393 91.40527 10.19415 
-5.918411      17.20840 
1 1 1 -5  26 13 o 194.3475 5.303163 385.1591       20.95875  420.2573       
35.99395  367.1542       25.78002  202.5064 8.740563 189.5886 6.686820 
12.91780       11.00504 
1 1 1 -5  26 14 o 393.9440 4.754748 1582.181       38.09022  1583.600       
53.94207  1580.769       53.79364  393.5887 6.739591 393.2408 6.726994 
0.3479309      9.522318 
1 1 1 -5  26 15 o 299.3892 5.215746 914.6726       31.75440  918.2524       
39.28027  907.9204       53.94670  299.6892 6.445431 297.2486 8.924702 
2.440643       11.00881 
1 1 1 -5  26 16 o 206.1269 4.937540 433.5862       20.69649  460.5782       
29.58580  407.7192       28.96266  212.0871 6.859899 199.4879 7.139543 
12.59917       9.901074 
1 1 1 -5  26 17 o 66.83587 11.44349 47.64031       14.99387  32.60679       
20.44458  65.13718       22.05607  55.04258 16.76007 77.52708 14.52389 
-22.48450      22.17754 
1 1 1 -5  26 18 o 163.1103 5.853025 272.2297       19.41392  269.9412       
27.10905  274.6389       27.81545  161.7119 8.271352 163.0733 8.416568 
-1.361420      11.80059 
1 1 1 -5  26 19 o 141.6558 9.781178 208.8879       28.00323  0.000000       
0.000000  208.8879       28.00323  ?        ?        141.6558 9.781178 
0.000000       9.781178 
1 1 1 -5  26 20 o 86.19657 14.93336 81.46597       25.22747  0.000000       
0.000000  81.46597       25.22747  ?        ?        86.19657 14.93336 
0.000000       14.93336 
1 1 1 -5  26 21 o 71.73108 17.24714 59.13092       24.84852  0.000000       
0.000000  59.13092       24.84852  ?        ?        71.73108 17.24714 
0.000000       17.24714 
1 1 1 -5  26 22 o 109.2845 8.759654 126.1431       19.30330  103.5217       
27.16314  149.2228       27.43689  95.98045 14.35811 117.3016 11.65654 
-21.32118      18.49406 
1 1 1 -5  26 23 o 131.0560 7.558619 180.9713       20.05876  199.8651       
29.11031  163.8903       27.67856  135.4682 10.65309 122.1242 11.27248 
13.34407       15.50991 
1 1 1 -5  27 1  o 472.1650 6.864720 2270.635       65.91254  2343.836       
95.41949  2203.830       91.15546  479.2950 9.790003 464.7831 9.644526 
14.51184       13.74267 
1 1 1 -5  27 2  o 51.31059 14.28778 27.74001       15.45888  24.20596       
21.54160  31.49253       22.19747  50.69755 17.35798 55.70609 17.55029 
-5.008541      24.68424 
1 1 1 -5  27 3  o 232.4354 5.758949 549.9622       27.22056  526.0026       
37.83600  575.6688       39.19111  227.1805 8.189978 237.6696 8.108912 
-10.48906      11.52520 
1 1 1 -5  27 4  o 120.2904 3.801451 147.2003       9.298903  150.2244       
9.966877  126.8810       25.83554  121.5157 4.033435 110.8391 11.63597 
10.67661       12.31521 
1 1 1 -5  27 5  o 125.5074 4.317448 160.2744       11.01914  168.1578       
14.96585  150.9409       16.28435  128.5228 5.726242 121.5616 6.612401 
6.961227       8.747211 
1 1 1 -5  27 6  o 102.4708 5.247597 107.1613       10.89814  111.9551       
14.87616  101.6083       16.01093  104.5935 7.035055 99.52127 7.978401 
5.072182       10.63705 
1 1 1 -5  27 7  o 234.2935 3.986660 558.5321       18.99420  509.9956       
25.98960  614.1791       27.82827  223.7993 5.710702 245.6055 5.571815 
-21.80620      7.978549 
1 1 1 -5  27 8  o 180.7849 4.821380 332.7011       17.72495  355.3857       
29.13370  319.3699       22.33400  186.6790 7.674476 177.0580 6.202969 
9.621033       9.867847 
1 1 1 -5  27 9  o 291.2516 5.774434 864.1984       34.20024  838.5319       
46.04468  895.7841       51.07903  286.6484 7.899117 296.1895 8.480502 
-9.541046      11.58943 
1 1 1 -5  27 10 o 178.5578 6.049833 325.0074       21.96714  333.2586       
30.52330  316.1419       31.63920  180.6050 8.310945 175.6239 8.888050 
4.981125       12.16837 
1 1 1 -5  27 11 o 20.14612 9.634477 -15.32991      11.15579  -29.52847      
16.20002  -2.524280      15.38487  22.41547 10.93101 30.49146 13.26943 
-8.075993      17.19200 
1 1 1 -5  27 12 o 258.6192 4.880616 681.6476       25.66770  689.1532       
43.98551  677.7720       31.60743  259.4580 8.336640 257.7242 6.030904 
1.733795       10.28938 
1 1 1 -5  27 13 o 340.1972 4.507519 1179.471       31.18313  1172.951       
44.16243  1185.953       44.03705  338.8562 6.408938 340.7423 6.355368 
-1.886108      9.025807 
1 1 1 -5  27 14 o 60.70718 11.06055 39.19626       13.15119  28.53849       
18.46467  50.16894       18.73547  51.99700 15.94609 68.21384 13.97627 
-16.21685      21.20410 
1 1 1 -5  27 15 o 185.2997 5.637302 350.7138       21.24210  369.5170       
26.49698  316.8926       35.53655  189.9947 6.858096 175.0042 10.02741 
14.99049       12.14835 
1 1 1 -5  27 16 o 169.3443 5.341180 292.9294       18.39328  277.4177       
25.37363  310.1067       26.70118  164.4152 7.589083 173.8398 7.553177 
-9.424637      10.70722 
1 1 1 -5  27 17 o 74.07368 10.25666 57.86231       15.03517  61.66490       
21.87881  54.45964       20.69633  75.20716 14.83285 70.56182 14.89144 
4.645340       21.01829 
1 1 1 -5  27 18 o 171.3482 5.865983 300.5430       20.43957  281.3700       
28.58979  320.5882       29.23277  164.9590 8.552174 176.4203 8.148353 
-11.46138      11.81251 
1 1 1 -5  27 19 o 78.28139 16.58982 68.17371       25.58853  0.000000       
0.000000  68.17371       25.58853  ?        ?        78.28139 16.58982 
0.000000       16.58982 
1 1 1 -5  27 20 o 73.80868 12.54992 59.07355       18.16215  73.15585       
26.46926  46.54451       24.96686  80.66796 16.68632 63.93525 18.28340 
16.73271       24.75311 
1 1 1 -5  27 21 o 86.95397 10.91640 81.11085       18.87734  113.6970       
27.59608  52.45221       25.87968  101.7869 13.67848 66.82703 18.44146 
34.95985       22.96058 
1 1 1 -5  27 22 o 55.59725 15.13658 36.07621       17.57343  11.53197       
24.36170  62.70344       25.37440  42.18376 17.44162 72.18937 17.47297 
-30.00561      24.68835 
1 1 1 -5  27 23 o 68.79594 13.20328 54.70789       17.79952  25.61066       
24.88075  85.21017       25.47439  48.03515 18.32656 84.60761 15.37241 
-36.57246      23.92015 
1 1 1 -5  28 1  o 157.4639 6.732280 252.5822       21.55731  246.2369       
30.76098  258.7062       30.21950  155.0029 9.809675 158.9450 9.391211 
-3.942108      13.58030 
1 1 1 -5  28 2  f 299.3012 5.886356 912.1145       35.82667  898.6683       
50.81963  925.3999       50.51486  296.8689 8.418126 301.2694 8.245420 
-4.400513      11.78354 
1 1 1 -5  28 3  f 187.8225 6.383241 359.2809       24.38036  363.4891       
36.62935  355.9337       32.66779  188.4826 9.588300 186.8199 8.598944 
1.662704       12.87934 
1 1 1 -5  28 4  o 299.5241 4.177766 912.8502       25.44646  915.2818       
29.54498  905.8643       50.07828  299.8853 4.844815 298.0617 8.262125 
1.823547       9.577836 
1 1 1 -5  28 5  o 224.7112 3.513741 513.6937       16.05631  521.0764       
21.21910  503.8036       24.55948  226.2762 4.611443 222.4545 5.429083 
3.821655       7.123226 
1 1 1 -5  28 6  o 177.1936 4.503329 319.5429       16.22681  323.3160       
25.44492  316.9566       21.06651  178.1158 7.025015 176.4165 5.872214 
1.699219       9.156076 
1 1 1 -5  28 7  o 285.1563 5.646931 828.1404       32.74513  0.000000       
0.000000  828.1404       32.74513  ?        ?        285.1563 5.646931 
0.000000       5.646931 
1 1 1 -5  28 8  o 61.79294 9.279231 39.87698       11.29988  40.67795       
15.44028  38.95322       16.58157  61.84794 12.70178 60.37339 13.80625 
1.474552       18.76027 
1 1 1 -5  28 9  o 332.4612 6.068888 1126.686       41.02999  1126.686       
41.02999  0.000000       0.000000  332.4612 6.068888 ?        ?        
0.000000       6.068888 
1 1 1 -5  28 10 o 245.7097 4.279581 614.7665       21.38331  619.5656       
30.18573  609.9323       30.29572  246.4879 6.022191 244.5558 6.091886 
1.932098       8.566088 
1 1 1 -5  28 11 o 289.2539 4.281296 852.1846       25.18291  897.2222       
36.50118  811.2742       34.78853  296.5422 6.052976 281.9791 6.066914 
14.56311       8.570063 
1 1 1 -5  28 12 o 123.8659 6.133613 156.6447       15.44969  155.2624       
25.23435  157.4734       19.54010  122.4595 10.22682 123.7958 7.801838 
-1.336235      12.86299 
1 1 1 -5  28 13 o 176.9874 6.854106 320.3722       24.66861  0.000000       
0.000000  320.3722       24.66861  ?        ?        176.9874 6.854106 
0.000000       6.854106 
1 1 1 -5  28 14 o 105.1448 6.648272 113.5453       14.14185  100.8013       
20.08282  126.0802       19.91739  98.35388 10.18890 110.3888 8.949745 
-12.03490      13.56140 
1 1 1 -5  28 15 o 194.9574 4.921417 387.9154       19.51108  385.4658       
26.80872  390.6741       28.45005  194.0105 6.795153 195.2387 7.165816 
-1.228180      9.875375 
1 1 1 -5  28 16 o 88.72575 8.042720 81.58803       14.35351  61.92581       
19.97595  102.5753       20.63811  75.82165 13.44820 98.99311 10.40798 
-23.17146      17.00530 
1 1 1 -5  28 17 o 95.25905 8.281262 94.16422       15.88223  90.17961       
22.56421  98.07666       22.35892  92.07774 12.36306 96.31179 11.65323 
-4.234047      16.98950 
1 1 1 -5  28 18 o 177.8828 5.804598 323.9830       20.99701  372.3664       
29.75272  275.9779       29.63614  190.2034 7.692311 163.1573 8.966711 
27.04613       11.81413 
1 1 1 -5  28 19 o 139.8211 10.22194 204.6516       28.86270  0.000000       
0.000000  204.6516       28.86270  ?        ?        139.8211 10.22194 
0.000000       10.22194 
1 1 1 -5  28 20 o 153.9879 6.994854 244.5338       21.90365  277.2128       
31.98601  215.6780       30.05681  162.6314 9.716160 143.0645 10.40261 
19.56691       14.23440 
1 1 1 -5  28 21 o 95.12656 9.735897 96.24975       18.56805  150.6467       
26.99757  47.42196       25.57826  118.3455 11.35766 63.20577 18.63270 
55.13970       21.82141 
1 1 1 -5  28 22 o 31.13663 13.66378 -0.8501194     16.61634  11.67159       
23.86746  -12.62749      23.14721  41.62983 17.24234 32.30179 14.94192 
9.328037       22.81577 
1 1 1 -5  29 1  o 281.0041 8.249946 805.5295       47.14278  0.000000       
0.000000  805.5295       47.14278  ?        ?        281.0041 8.249946 
0.000000       8.249946 
1 1 1 -5  29 2  o 251.9223 5.875875 646.3463       30.10166  546.9460       
40.82766  764.7335       44.55672  231.5199 8.671911 273.8330 8.001585 
-42.31316      11.79947 
1 1 1 -5  29 3  o 382.8850 6.284431 1493.379       48.93118  1441.116       
68.70432  1547.175       69.70482  375.7583 8.991331 389.3706 8.803355 
-13.61230      12.58345 
1 1 1 -5  29 4  o 272.7721 3.657975 757.0118       20.29047  750.4026       
22.62631  784.1554       45.85331  271.5563 4.097343 277.2653 8.132493 
-5.709045      9.106353 
1 1 1 -5  29 5  o 119.5947 10.42812 147.3254       25.10742  0.000000       
0.000000  147.3254       25.10742  ?        ?        119.5947 10.42812 
0.000000       10.42812 
1 1 1 -5  29 6  o 372.1913 4.240607 1409.884       32.09561  1463.957       
46.34359  1360.043       44.49304  379.0723 6.011961 365.3739 5.988295 
13.69843       8.485479 
1 1 1 -5  29 7  o 78.51743 7.076599 63.38236       11.17764  52.15551       
15.17059  76.71488       16.53216  70.55241 10.92731 86.09329 9.606787 
-15.54089      14.54979 
1 1 1 -5  29 8  o 247.8870 4.096257 625.5112       20.64868  596.8756       
28.74651  656.0349       29.67911  242.0008 5.841400 253.7195 5.752353 
-11.71872      8.198263 
1 1 1 -5  29 9  o 72.93019 9.626134 55.40454       13.92726  51.88018       
16.04145  66.19394       28.06742  70.14600 11.65478 78.17392 18.02457 
-8.027916      21.46437 
1 1 1 -5  29 10 o 200.7373 6.171109 411.1611       25.19085  0.000000       
0.000000  411.1611       25.19085  ?        ?        200.7373 6.171109 
0.000000       6.171109 
1 1 1 -5  29 11 o 69.90347 8.991570 50.91685       12.48529  69.38779       
17.85292  33.23557       17.46714  81.35922 11.07882 55.57729 15.07391 
25.78194       18.70730 
1 1 1 -5  29 12 o 33.93385 12.75206 8.944245       11.93729  2.334226       
16.59212  16.03706       17.18738  33.97754 14.24822 42.61659 15.42419 
-8.639046      20.99803 
1 1 1 -5  29 13 o 263.8693 4.404216 709.8281       23.63246  691.5653       
32.94553  729.1854       33.91839  260.1078 6.228618 267.0851 6.245024 
-6.977325      8.820205 
1 1 1 -5  29 14 o 178.6039 4.976528 325.5615       18.07461  337.4866       
25.44127  313.4084       25.68316  181.5338 6.891754 174.8768 7.222123 
6.657043       9.982752 
1 1 1 -5  29 15 o 61.24192 11.39927 40.14872       13.67394  58.29573       
19.03861  20.81414       19.65170  73.61664 13.20273 46.77432 16.54264 
26.84232       21.16533 
1 1 1 -5  29 16 o 86.21404 8.572327 77.34654       14.82965  74.74895       
20.85510  80.00336       21.09148  83.63110 12.65880 86.68427 12.31100 
-3.053169      17.65803 
1 1 1 -5  29 17 o 150.3438 7.028992 232.1688       21.48967  288.7273       
26.53524  124.3781       36.63234  167.4656 7.791946 106.1166 17.59199 
61.34902       19.24039 
1 1 1 -5  29 18 o 150.5838 6.462461 232.6965       19.78917  228.5695       
27.82224  236.9222       28.15292  148.2494 9.275514 150.9652 9.214670 
-2.715805      13.07461 
1 1 1 -5  29 19 o 195.0423 8.279654 393.6140       32.83918  0.000000       
0.000000  393.6140       32.83918  ?        ?        195.0423 8.279654 
0.000000       8.279654 
1 1 1 -5  29 20 o 26.11464 12.50514 -24.10075      18.93098  -49.74055      
25.23211  8.919662       28.63436  26.59946 13.10673 44.54447 18.70052 
-17.94501      22.83629 
1 1 1 -5  29 21 o 41.07249 15.25940 16.11939       16.99768  20.29659       
23.58350  11.60363       24.52058  46.35295 17.80487 42.57529 17.54069 
3.777668       24.99378 
1 1 1 -5  29 22 o 72.27639 12.40731 59.16795       17.57902  69.52210       
25.22944  49.39808       24.50727  75.43567 16.86963 62.58106 18.17885 
12.85461       24.80030 
1 1 1 -5  30 1  o 373.8794 6.267106 1424.502       47.64858  1438.928       
68.38473  1410.889       66.42839  375.3272 8.959787 371.6846 8.788763 
3.642609       12.55070 
1 1 1 -5  30 2  o 140.6217 7.120399 202.1430       20.29505  159.1001       
28.10204  249.0652       29.34111  124.1534 11.25312 155.8612 9.299726 
-31.70782      14.59855 
1 1 1 -5  30 3  o 314.3771 5.913385 1006.863       37.80406  1026.526       
54.50256  988.6324       52.48078  317.1098 8.451929 311.2249 8.292291 
5.884888       11.84049 
1 1 1 -5  30 4  o 86.69038 4.528122 76.71037       7.954823  71.75605       
8.362105  123.8853       25.80354  83.80471 4.928465 109.3281 11.79308 
-25.52339      12.78149 
1 1 1 -5  30 5  o 118.7038 5.239213 143.5058       12.64684  157.2706       
14.72897  104.8819       24.67270  124.2418 5.829792 100.3684 12.34886 
23.87337       13.65579 
1 1 1 -5  30 6  o 237.1733 5.438607 573.0505       26.23040  573.0505       
26.23040  0.000000       0.000000  237.1733 5.438607 ?        ?        
0.000000       5.438607 
1 1 1 -5  30 7  o 131.6079 4.916599 176.4183       13.15825  157.2674       
17.94732  198.6768       19.34876  123.9347 7.151618 139.5515 6.818164 
-15.61675      9.880941 
1 1 1 -5  30 8  o 153.7031 4.687553 240.6378       14.65144  222.7045       
19.80189  262.3321       21.77955  147.7360 6.591266 160.3344 6.679913 
-12.59840      9.384349 
1 1 1 -5  30 9  o 181.0495 5.103379 334.0914       18.78912  349.0739       
22.68829  301.3863       33.52097  184.9760 6.031633 171.1595 9.670417 
13.81651       11.39726 
1 1 1 -5  30 10 o 84.58791 7.259852 73.68594       12.36683  64.60701       
16.70333  84.70042       18.39788  78.53432 10.74057 90.21807 10.20780 
-11.68375      14.81752 
1 1 1 -5  30 11 o 329.8668 5.002557 1109.694       33.55692  1092.067       
55.60183  1119.793       42.08574  326.3542 8.378157 331.0858 6.250907 
-4.731537      10.45310 
1 1 1 -5  30 12 o 169.0987 4.788121 291.6399       16.46482  288.7999       
22.66746  294.8117       23.95542  168.0347 6.633649 169.7271 6.940668 
-1.692368      9.600946 
1 1 1 -5  30 13 o 145.2457 5.381384 215.4301       15.89457  218.8963       
22.34358  211.8789       22.61552  145.9137 7.556076 143.5018 7.778989 
2.411865       10.84467 
1 1 1 -5  30 14 o 199.5044 4.742692 406.1988       19.24105  386.6804       
26.64985  427.4521       27.80906  194.2844 6.745366 204.2819 6.694295 
-9.997559      9.503345 
1 1 1 -5  30 15 o 227.4887 4.730074 528.3558       21.88161  520.8094       
30.54637  536.3096       31.36021  225.4032 6.664199 228.7108 6.742807 
-3.307602      9.480348 
1 1 1 -5  30 16 f 91.56371 8.237754 87.09235       15.17434  118.3705       
21.37972  55.34142       21.54069  106.3765 10.00078 70.83604 15.39362 
35.54044       18.35699 
1 1 1 -5  30 17 o 51.33359 15.82119 28.47961       18.15079  25.63000       
21.48430  35.58512       33.92549  50.24299 17.32852 59.61045 21.65546 
-9.367458      27.73511 
1 1 1 -5  30 18 f 33.90942 14.04260 4.259613       15.82766  2.468315       
21.67742  6.304991       23.16383  37.83356 16.09526 40.60531 16.91591 
-2.771751      23.34963 
1 1 1 -5  30 19 o 50.33711 16.74684 27.09610       20.05206  -24.97616      
36.99704  48.75492       23.86059  40.13707 18.67748 65.26862 17.58268 
-25.13155      25.65149 
1 1 1 -5  30 20 o 60.93498 15.44510 42.51402       19.16364  43.19461       
25.25834  41.59083       29.41762  60.75848 18.65318 59.97340 20.28569 
0.7850800      27.55813 
1 1 1 -5  30 21 o 124.1951 7.711619 162.0242       19.37983  152.6402       
27.00627  171.9869       27.82658  118.3501 11.36095 125.9525 10.97395 
-7.602379      15.79552 
1 1 1 -5  30 22 o 69.20180 13.06456 55.44463       17.71105  81.15760       
25.81852  32.59018       24.34113  81.68772 16.11501 51.53211 18.39099 
30.15561       24.45244 
1 1 1 -5  31 1  o 250.8663 5.940403 641.4446       30.30468  657.1456       
43.13304  626.1389       42.58678  253.6167 8.363360 247.5473 8.459899 
6.069397       11.89604 
1 1 1 -5  31 2  o 527.2250 7.374551 2836.543       79.06477  2917.068       
114.6759  2763.581       109.1571  533.6392 10.56752 519.4948 10.33283 
14.14441       14.77971 
1 1 1 -5  31 3  o 132.7572 7.478870 180.4343       20.10819  180.2504       
28.50308  180.6165       28.37193  132.2196 10.69247 132.3653 10.63022 
-0.1457367     15.07748 
1 1 1 -5  31 4  o 83.97743 4.574966 72.01996       7.783254  70.75056       
8.272855  81.80218       22.96547  83.20365 4.911239 88.23307 13.20547 
-5.029419      14.08917 
1 1 1 -5  31 5  o 153.1886 3.858851 238.8584       12.02087  243.8495       
13.22143  215.0596       28.87072  154.7654 4.201003 144.5969 9.877645 
10.16850       10.73388 
1 1 1 -5  31 6  o 158.3286 3.633073 255.1430       11.69728  255.8098       
14.30726  253.7987       20.31412  158.4955 4.439032 157.7469 6.332654 
0.7485962      7.733532 
1 1 1 -5  31 7  o 176.8713 5.212636 318.8167       18.74849  297.8316       
33.52909  328.3631       22.61436  170.1926 9.728275 179.4140 6.198354 
-9.221481      11.53512 
1 1 1 -5  31 8  o 233.3506 4.695070 554.8171       22.27934  546.9776       
26.92807  571.8279       39.66662  231.5789 5.718141 236.3842 8.251926 
-4.805313      10.03949 
1 1 1 -5  31 9  o 175.0606 5.134278 312.4774       18.27760  316.9515       
22.01733  302.5587       32.78224  176.2026 6.144705 171.4355 9.439807 
4.767014       11.26354 
1 1 1 -5  31 10 o 288.5903 4.236420 848.6336       24.86178  799.2307       
34.01530  905.2944       36.42833  279.7660 5.978992 297.7433 6.016525 
-17.97736      8.482153 
1 1 1 -5  31 11 o 152.2761 5.678154 236.7904       17.58289  207.4130       
27.28427  257.6560       22.99437  141.6554 9.527081 158.6466 7.127536 
-16.99113      11.89820 
1 1 1 -5  31 12 o 141.4658 5.167952 204.2917       14.86693  185.9114       
20.34804  225.3391       21.77439  134.4591 7.471305 148.2948 7.220527 
-13.83566      10.39021 
1 1 1 -5  31 13 o 241.1016 5.274070 593.7349       25.85815  569.1685       
45.43018  605.5078       31.44958  234.8662 9.512015 243.2307 6.358359 
-8.364471      11.44147 
1 1 1 -5  31 14 o 93.61310 7.432056 90.53994       14.03168  92.96410       
19.82315  88.10566       19.86451  94.13010 10.53675 91.51060 10.88843 
2.619499       15.15193 
1 1 1 -5  31 15 o 143.5957 5.612984 210.9804       16.39029  228.0297       
23.00067  193.3908       23.36230  148.7007 7.632058 136.6884 8.446285 
12.01227       11.38367 
1 1 1 -5  31 16 o 62.30030 11.83947 41.91138       14.45106  26.74349       
20.02202  58.40493       20.87865  50.52722 16.73067 72.95300 14.58350 
-22.42578      22.19445 
1 1 1 -5  31 17 o 66.55695 14.17148 48.76405       18.59243  51.68319       
21.71978  40.75992       35.96542  68.02936 15.97324 62.39560 22.34587 
5.633755       27.46784 
1 1 1 -5  31 18 f 49.33393 14.90063 26.57168       16.20768  33.06196       
23.28218  20.46895       22.57635  55.11427 18.03145 47.27719 17.58184 
7.837074       25.18441 
1 1 1 -5  31 19 o 108.1223 10.43393 123.9923       22.65620  120.9849       
41.87694  125.2368       26.93926  100.8177 21.10329 107.7064 12.53405 
-6.888763      24.54488 
1 1 1 -5  31 20 o 34.62760 14.73587 3.058437       18.18043  4.421777       
23.44128  1.000478       28.80034  39.00296 16.66842 41.11143 18.01619 
-2.108467      24.54423 
1 1 1 -5  31 21 o 80.06868 11.42518 71.04225       18.07518  91.71045       
25.97442  51.63605       25.16893  88.78264 14.91580 64.18074 18.35850 
24.60190       23.65408 
1 1 1 -5  31 22 o 31.56002 13.80564 1.089769       16.84433  -19.53210      
25.10506  17.97440       22.71658  31.15674 14.77236 42.80719 17.15737 
-11.65045      22.64063 
1 1 1 -5  32 1  o 222.7193 6.032605 505.8588       27.32211  484.4736       
38.23586  528.1709       39.05580  217.6213 8.640085 227.2535 8.451301 
-9.632202      12.08617 
1 1 1 -5  32 2  o 147.6034 6.655205 222.3039       19.97604  195.3206       
28.01365  250.2188       28.49322  137.6837 10.07540 156.1125 9.013714 
-18.42883      13.51890 
1 1 1 -5  32 3  o 128.5625 7.333647 169.3171       19.09335  148.9562       
26.29664  192.0194       27.76750  119.9909 10.89585 136.5097 10.07398 
-16.51878      14.83930 
1 1 1 -5  32 4  o 70.25325 6.480280 50.77841       9.153530  51.89236       
10.08489  45.56942       21.80800  70.94599 7.084988 64.99324 16.47769 
5.952751       17.93631 
1 1 1 -5  32 5  o 212.9083 3.660901 461.4291       15.85010  472.7897       
17.61371  413.0693       36.34072  215.4879 4.019541 200.8786 8.896280 
14.60931       9.762198 
1 1 1 -5  32 6  o 310.8048 3.956195 983.6031       25.00443  996.0381       
28.43661  941.2160       52.50153  312.7011 4.471951 303.2462 8.513835 
9.454926       9.616846 
1 1 1 -5  32 7  o 123.2457 6.143924 155.0251       15.39816  128.6299       
27.40989  167.1963       18.61276  110.9781 12.35532 127.7034 7.196657 
-16.72524      14.29846 
1 1 1 -5  32 8  o 272.8205 4.716593 758.6432       26.16718  721.8126       
31.09751  847.9653       48.42849  265.9578 5.749916 287.7046 8.277567 
-21.74677      10.07867 
1 1 1 -5  32 9  o 186.9956 4.378904 356.3688       16.65131  372.9333       
22.97019  338.0243       24.17282  191.1089 5.910609 181.8585 6.536455 
9.250351       8.812522 
1 1 1 -5  32 10 o 85.35620 7.063240 75.07869       12.14984  89.94230       
16.93783  59.32426       17.43802  93.11092 9.060286 74.81059 11.85808 
18.30034       14.92323 
1 1 1 -5  32 11 o 126.3693 6.251243 163.3199       16.06421  196.1975       
25.91225  142.7958       20.47324  137.7179 9.307222 117.5493 8.624964 
20.16856       12.68914 
1 1 1 -5  32 12 o 206.8112 4.518194 436.3327       19.00160  405.2542       
25.79977  473.1759       28.09083  198.9817 6.376042 215.0001 6.425019 
-16.01836      9.051784 
1 1 1 -5  32 13 o 281.0345 5.230440 806.9817       29.89161  852.5139       
54.01918  786.8868       35.88654  287.3701 9.243893 277.1881 6.366571 
10.18204       11.22421 
1 1 1 -5  32 14 o 94.04782 7.424267 91.45876       14.08341  99.42130       
19.72622  83.18063       20.11332  97.41541 10.10483 88.63898 11.42446 
8.776421       15.25208 
1 1 1 -5  32 15 o 79.17135 8.882368 65.59461       14.05377  61.75063       
19.54414  69.71039       20.22332  75.52557 13.20627 80.49551 12.78184 
-4.969940      18.37882 
1 1 1 -5  32 16 o 139.7143 6.199271 200.2718       17.61299  195.0803       
24.51762  205.8082       25.31874  136.9866 8.848640 140.7012 8.894755 
-3.714630      12.54652 
1 1 1 -5  32 17 o 219.8005 6.168837 495.9422       27.57296  497.7155       
33.01706  491.8551       50.12548  219.7392 7.388892 216.1239 11.44602 
3.615372       13.62377 
1 1 1 -5  32 18 o 52.42719 14.58839 30.59631       16.12218  8.878545       
23.31393  50.50004       22.31902  41.56963 17.11234 66.64881 16.54466 
-25.07918      23.80248 
1 1 1 -5  32 19 o 85.84038 10.92839 79.20341       18.64392  90.03982       
26.80035  69.04140       25.95301  89.47746 15.27753 77.26774 16.98060 
12.20972       22.84171 
1 1 1 -5  32 20 o 191.2303 6.784595 379.8950       26.38348  382.9188       
33.54815  374.9930       42.71442  190.7265 8.649797 186.2016 11.33475 
4.524933       14.25817 
1 1 1 -5  32 21 o 41.59991 15.22871 18.45844       16.82333  -10.63013      
24.69551  43.64718       22.98053  33.57635 15.49704 58.77244 17.74098 
-25.19609      23.55633 
1 1 1 -5  33 1  o 152.0991 6.639261 236.2308       20.53515  230.6950       
29.01672  241.7852       29.06552  149.6620 9.584586 153.2731 9.370259 
-3.611145      13.40396 
1 1 1 -5  33 2  o 126.9370 7.470846 165.2632       19.19952  162.1995       
26.50889  168.6435       27.84477  125.2201 10.50751 127.6339 10.83041 
-2.413872      15.08992 
1 1 1 -5  33 3  o 33.25304 13.79866 3.032024       15.32695  1.806166       
21.04306  4.417209       22.36880  37.75091 15.94925 40.00105 16.64017 
-2.250145      23.04938 
1 1 1 -5  33 4  o 428.2946 4.440697 1868.689       38.67632  1883.847       
44.14038  1818.582       80.25362  429.9079 5.049044 421.1267 9.371313 
8.781250       10.64492 
1 1 1 -5  33 5  o 123.3528 4.117053 154.9762       10.32730  160.1050       
11.34165  130.0900       24.98324  125.3592 4.449065 111.8806 11.12870 
13.47862       11.98508 
1 1 1 -5  33 6  o 352.8075 4.130054 1267.928       29.63090  1285.943       
33.92804  1210.017       60.83113  355.2094 4.697025 343.5723 8.706757 
11.63712       9.892909 
1 1 1 -5  33 7  o 251.2533 8.643647 647.4362       44.16317  647.4362       
44.16317  0.000000       0.000000  251.2533 8.643647 ?        ?        
0.000000       8.643647 
1 1 1 -5  33 8  o 95.65425 7.118493 94.13552       13.74748  93.36290       
16.19831  96.12512       25.99372  95.02692 8.471294 95.16715 13.83700 
-0.1402359     16.22422 
1 1 1 -5  33 9  o 146.1094 4.816571 217.7577       14.31092  214.9061       
19.47039  221.1086       21.10578  144.9448 6.605724 146.9584 7.062455 
-2.013535      9.670257 
1 1 1 -5  33 10 o 188.0488 6.462531 361.8374       24.71296  0.000000       
0.000000  361.8374       24.71296  ?        ?        188.0488 6.462531 
0.000000       6.462531 
1 1 1 -5  33 11 f 85.84898 8.145144 76.41632       14.04930  61.20285       
21.13100  88.46947       18.80860  75.16943 14.34720 91.94761 10.23280 
-16.77818      17.62250 
1 1 1 -5  33 12 o 139.6717 5.329188 199.3657       15.13634  190.2713       
20.61204  210.0100       22.29943  135.9133 7.486621 142.7546 7.710197 
-6.841354      10.74694 
1 1 1 -5  33 13 o 272.2600 5.346504 757.9230       29.60092  682.9707       
50.41566  797.3547       36.56750  256.8295 9.653152 278.8984 6.447596 
-22.06891      11.60839 
1 1 1 -5  33 14 o 145.5044 5.593910 216.7262       16.55171  208.4149       
23.16686  225.3922       23.65612  141.9550 8.058593 147.6873 7.905456 
-5.732346      11.28881 
1 1 1 -5  33 15 o 70.44466 10.32847 52.73214       14.35626  61.32695       
20.08297  43.75040       20.53005  74.99400 13.67270 62.55194 16.05792 
12.44205       21.09027 
1 1 1 -5  33 16 o 35.24763 13.69562 8.943392       14.07574  -0.4458629     
19.71357  18.70862       20.10440  34.94217 15.11309 45.14975 16.62953 
-10.20758      22.47102 
1 1 1 -5  33 17 o 76.94823 12.96932 64.45390       19.57236  54.45689       
22.78803  92.56795       38.21497  69.39449 16.40688 88.42134 21.46839 
-19.02686      27.01995 
1 1 1 -5  33 18 o 119.7356 8.751860 150.1087       21.16195  160.9583       
36.24870  144.4990       26.06478  120.7290 15.09476 116.4311 11.14480 
4.297867       18.76321 
1 1 1 -5  33 19 o 54.23627 15.31398 33.79506       17.63092  10.17662       
24.77526  58.02822       25.09560  42.28220 17.54433 69.96455 17.64233 
-27.68235      24.88083 
1 1 1 -5  33 20 o 38.46559 15.54165 10.93818       18.80314  -1.075689      
23.96854  30.16396       30.32089  36.57275 16.21390 52.30929 20.16342 
-15.73654      25.87381 
1 1 1 -5  33 21 o 60.94844 14.24505 44.66303       17.33829  40.64592       
25.06470  48.34900       24.00943  55.72625 18.72541 60.83322 18.08232 
-5.106968      26.03097 
1 1 1 -5  34 1  o 267.9174 5.865757 732.7238       31.95776  726.7490       
45.84139  738.3732       44.57540  266.2543 8.466613 268.4520 8.165395 
-2.197723      11.76253 
1 1 1 -5  34 2  o 121.5947 7.515128 151.8545       18.49134  174.6974       
27.06970  131.8702       25.31938  129.9040 10.33270 112.5566 11.21111 
17.34747       15.24643 
1 1 1 -5  34 3  o 117.8457 7.795171 142.7779       18.57509  150.9857       
26.19621  134.4781       26.34269  120.6082 10.79513 113.5927 11.56535 
7.015526       15.82062 
1 1 1 -5  34 4  o 233.9643 3.572348 557.3848       16.99632  566.9598       
18.89011  516.6859       38.94555  235.9283 3.937341 224.4913 8.531136 
11.43704       9.395900 
1 1 1 -5  34 5  o 279.1713 3.779321 793.7807       21.45537  834.0555       
24.61201  666.2876       43.78986  286.1046 4.230298 254.9082 8.447695 
31.19637       9.447697 
1 1 1 -5  34 6  o 126.5064 4.297705 163.0988       11.05606  169.7978       
12.18618  131.9237       26.28858  129.0533 4.643517 112.3777 11.67401 
16.67562       12.56363 
1 1 1 -5  34 7  o 260.4008 5.403892 692.1542       28.61543  692.1542       
28.61543  0.000000       0.000000  260.4008 5.403892 ?        ?        
0.000000       5.403892 
1 1 1 -5  34 8  o 142.4549 4.837745 207.0350       14.01431  196.9494       
18.89413  219.3698       20.89503  138.7274 6.697509 146.3643 7.020310 
-7.636932      9.702648 
1 1 1 -5  34 9  o 226.5134 4.214355 523.1383       19.41227  519.2502       
26.75366  527.4614       28.21042  225.3829 5.837284 227.1006 6.108574 
-1.717682      8.449175 
1 1 1 -5  34 10 o 115.1428 6.437623 136.1638       15.01312  132.0061       
22.62400  139.4353       20.06849  112.5743 9.986449 116.0813 8.562043 
-3.506989      13.15438 
1 1 1 -5  34 11 o 116.5348 5.734844 138.9106       13.59028  129.9783       
18.23796  150.0631       20.37889  112.1227 8.052547 120.4370 8.372935 
-8.314262      11.61678 
1 1 1 -5  34 12 o 145.9878 5.229496 217.8721       15.52487  201.8366       
20.97207  237.3126       23.09161  139.9474 7.395537 151.9356 7.473829 
-11.98825      10.51438 
1 1 1 -5  34 13 o 337.5305 5.405755 1165.705       37.10401  1227.364       
67.06920  1138.512       44.54074  344.0280 9.586893 333.0678 6.576175 
10.96021       11.62560 
1 1 1 -5  34 14 o 265.3172 4.650051 719.4099       25.08849  689.9191       
34.59612  752.1215       36.43634  259.1658 6.564447 270.5726 6.622158 
-11.40680      9.324427 
1 1 1 -5  34 15 o 56.08002 13.05417 34.61269       14.60831  38.05538       
19.98832  30.66556       21.40266  58.30259 16.25088 53.23868 17.28203 
5.063908       23.72256 
1 1 1 -5  34 16 o 133.2284 6.438587 182.5055       17.44371  182.4727       
24.01918  182.5421       25.37488  132.2371 8.985408 132.0600 9.512608 
0.1770477      13.08538 
1 1 1 -5  34 17 o 46.28983 14.98122 22.98367       16.09152  45.41219       
22.86078  0.9584276      22.65432  62.94290 17.31727 37.62520 16.23743 
25.31770       23.73904 
1 1 1 -5  34 18 o 34.06351 14.73608 0.4066086      18.75000  33.20653       
31.14562  -18.23764      23.48189  55.90312 20.67822 31.62809 14.77194 
24.27503       25.41258 
1 1 1 -5  34 19 o 24.59378 11.78966 -21.20929      16.92868  -37.47106      
23.13264  -2.458517      24.83997  26.65628 13.01295 37.06790 16.46619 
-10.41162      20.98743 
1 1 1 -5  34 20 o 171.8441 7.214586 310.0652       25.21144  331.5985       
31.83465  273.8399       41.29052  176.0538 8.921213 155.4687 13.18464 
20.58508       15.91925 
1 1 1 -5  34 21 o 130.9246 7.652966 183.1622       20.28653  201.7861       
29.40379  166.2442       28.02483  134.2272 10.86558 121.0924 11.51965 
13.13480       15.83551 
1 1 1 -5  35 1  o 24.33172 11.38185 -13.53765      14.03004  -37.79707      
19.17649  14.40495       20.58080  23.69532 11.62596 43.59008 16.65902 
-19.89476      20.31467 
1 1 1 -5  35 2  o 72.52574 11.57107 55.70084       16.49189  42.32380       
22.46097  71.34866       24.29268  62.32027 17.17308 81.31451 15.25141 
-18.99425      22.96781 
1 1 1 -5  35 3  o 214.0418 4.207932 466.9061       18.31550  504.6827       
21.81760  376.7430       33.70622  222.4512 4.823040 191.5502 8.653188 
30.90106       9.906531 
1 1 1 -5  35 4  o 168.8373 3.508413 290.3167       12.04566  284.8020       
13.12043  319.9004       30.38876  167.1972 3.858935 176.5335 8.465146 
-9.336273      9.303229 
1 1 1 -5  35 5  o 144.7380 3.897277 213.4502       11.47084  218.4299       
12.53971  187.9196       28.39358  146.3908 4.212327 134.5483 10.45966 
11.84250       11.27600 
1 1 1 -5  35 6  o 57.27496 8.351269 34.37574       9.440619  34.37574       
9.440619  0.000000       0.000000  57.27496 8.351269 ?        ?        
0.000000       8.351269 
1 1 1 -5  35 7  o 214.3839 5.425593 469.4233       23.65325  469.4233       
23.65325  0.000000       0.000000  214.3839 5.425593 ?        ?        
0.000000       5.425593 
1 1 1 -5  35 8  o 160.7012 4.578396 263.4820       14.96180  270.4294       
20.13354  254.9135       22.35945  162.5920 6.089331 157.7105 6.971866 
4.881454       9.256721 
1 1 1 -5  35 9  o 244.5005 4.244562 609.7539       21.10396  581.5383       
28.41684  644.4550       31.51388  238.4355 5.860754 250.9192 6.176131 
-12.48378      8.514284 
1 1 1 -5  35 10 o 221.1985 4.919790 499.7551       22.12994  480.6130       
35.18007  512.2896       28.46782  216.1162 8.004939 223.6421 6.259636 
-7.525955      10.16180 
1 1 1 -5  35 11 o 32.60227 12.58247 7.586009       11.81847  28.87899       
15.58850  -21.19819      18.12438  51.44960 14.35504 26.34832 12.50968 
25.10128       19.04099 
1 1 1 -5  35 12 o 91.51314 7.305595 86.67313       13.48204  106.3212       
18.30828  63.39610       19.92743  100.9857 9.009933 76.51772 13.28883 
24.46799       16.05528 
1 1 1 -5  35 13 o 96.62666 8.831119 97.45766       17.16075  73.95139       
30.91627  107.9251       20.63079  80.37091 19.18267 101.3185 10.14977 
-20.94757      21.70237 
1 1 1 -5  35 14 o 79.55764 9.078810 66.51930       14.42494  58.71339       
19.70061  75.54112       21.17946  73.18090 13.74292 83.57571 12.87529 
-10.39481      18.83191 
1 1 1 -5  35 15 f 31.61882 13.14592 3.397568       13.94972  6.632596       
18.94753  -0.4312919     20.61334  37.53884 15.43689 35.59633 15.42502 
1.942513       21.82267 
1 1 1 -5  35 16 f 77.44115 10.59816 64.03640       16.25191  98.68594       
22.69364  27.55714       23.28512  95.89687 11.89239 51.42588 18.02283 
44.47099       21.59285 
1 1 1 -5  35 17 o 93.46200 9.282630 92.22040       17.40900  83.26280       
23.75592  102.6112       25.58588  86.81126 13.92780 96.83921 13.34734 
-10.02795      19.29080 
1 1 1 -5  35 18 o 108.1784 10.04706 124.9093       21.84955  132.3071       
34.84233  120.1146       28.05034  107.3291 16.49153 104.0960 13.57417 
3.233017       21.35950 
1 1 1 -5  35 19 o 69.20657 12.74455 54.20824       17.27503  60.56421       
24.29384  47.70713       24.56965  70.61113 17.10053 62.02773 18.25489 
8.583397       25.01338 
1 1 1 -5  35 20 o 46.57999 16.43582 25.80927       19.38791  27.41055       
24.20344  22.94191       32.38812  48.17938 18.14764 47.98811 19.99791 
0.1912727      27.00469 
1 1 1 -5  35 21 o 39.08578 14.90450 16.67677       16.45116  28.47453       
24.04340  6.291293       22.55845  47.24337 18.01766 36.62520 16.00014 
10.61818       24.09648 
1 1 1 -5  36 1  o 30.71506 14.25645 -17.38158      21.33703  -17.38158      
21.33703  0.000000       0.000000  30.71506 14.25645 ?        ?        
0.000000       14.25645 
1 1 1 -5  36 2  o 65.48888 12.61686 46.07960       16.19294  47.71450       
22.73500  44.39627       23.06920  65.84982 16.89487 63.57005 17.35741 
2.279766       24.22223 
1 1 1 -5  36 3  o 253.7121 3.525220 655.7336       18.18775  663.6789       
20.26789  622.8779       41.21555  255.1896 3.905657 246.2381 8.231034 
8.951492       9.110658 
1 1 1 -5  36 4  o 175.3882 3.573451 313.3864       12.74499  319.8014       
13.92316  280.2222       31.65753  177.1445 3.865084 164.6035 9.498074 
12.54100       10.25438 
1 1 1 -5  36 5  o 182.3440 4.062092 338.9571       15.06235  338.9571       
15.06235  0.000000       0.000000  182.3440 4.062092 ?        ?        
0.000000       4.062092 
1 1 1 -5  36 6  o 352.7351 4.684809 1269.689       33.60408  1269.689       
33.60408  0.000000       0.000000  352.7351 4.684809 ?        ?        
0.000000       4.684809 
1 1 1 -5  36 7  o 106.0349 6.050478 115.4168       12.99229  110.1853       
14.54499  136.0704       28.89981  103.4363 6.955380 113.4340 12.74940 
-9.997711      14.52324 
1 1 1 -5  36 8  o 181.2594 4.367115 335.2359       16.09706  328.8462       
21.60182  343.2141       24.13813  179.2591 5.925948 183.0166 6.485774 
-3.757507      8.785336 
1 1 1 -5  36 9  o 348.3072 4.415948 1238.228       31.27792  1172.701       
42.60662  1314.817       46.06256  338.3446 6.192506 358.2029 6.323646 
-19.85834      8.850741 
1 1 1 -5  36 10 f 217.8364 4.976426 484.9727       22.04446  460.6388       
34.44611  501.8520       28.68876  211.4390 8.011311 221.2305 6.376983 
-9.791504      10.23948 
1 1 1 -5  36 11 o 124.2086 5.652055 157.9860       14.27609  160.5379       
19.42503  154.9887       21.05184  124.6007 7.704165 122.1908 8.525705 
2.409882       11.49094 
1 1 1 -5  36 12 o 220.5948 4.589777 497.3060       20.58914  461.5873       
27.90271  540.0007       30.50601  211.9934 6.472507 229.2686 6.543188 
-17.27524      9.203623 
1 1 1 -5  36 13 o 99.41340 8.841379 103.3060       17.68722  72.82178       
29.79749  119.8899       21.97786  79.62965 18.71743 106.6718 10.25825 
-27.04211      21.34418 
1 1 1 -5  36 14 o 91.78914 7.922627 87.78770       14.64318  112.6804       
20.22515  60.36414       21.22841  103.4845 9.725005 73.73493 14.67379 
29.74953       17.60386 
1 1 1 -5  36 15 o 78.27103 9.871341 65.00533       15.36247  86.18114       
21.32132  42.14275       22.15422  89.47124 12.02297 60.80193 17.16587 
28.66932       20.95755 
1 1 1 -5  36 16 o 98.08836 10.31666 102.2076       20.26980  102.7017       
22.93279  100.4431       43.33786  97.70863 11.77927 89.98156 23.44760 
7.727074       26.24007 
1 1 1 -5  36 17 o 173.2413 5.982176 309.3528       21.07473  331.8864       
29.55766  286.0515       30.05695  178.4089 8.147082 164.9639 8.993880 
13.44498       12.13527 
1 1 1 -5  36 18 o 85.14053 11.99999 79.97060       20.20004  58.70485       
31.95363  94.12625       26.07021  67.93137 21.00103 90.89032 14.59929 
-22.95895      25.57699 
1 1 1 -5  36 19 o 50.13698 15.32896 30.08049       17.07796  25.63772       
23.52496  35.03056       24.83175  47.79604 17.91329 53.28293 18.61524 
-5.486885      25.83434 
1 1 1 -5  36 20 o 36.76706 15.27554 10.09835       18.81639  9.055882       
23.19446  12.10508       32.18095  38.49010 16.51820 43.24049 18.99434 
-4.750393      25.17212 
1 1 1 -5  37 1  o 101.1195 11.41088 107.6329       23.05382  107.6329       
23.05382  0.000000       0.000000  101.1195 11.41088 ?        ?        
0.000000       11.41088 
1 1 1 -5  37 2  o 47.31076 17.21616 20.39781       21.45496  20.39781       
21.45496  0.000000       0.000000  47.31076 17.21616 ?        ?        
0.000000       17.21616 
1 1 1 -5  37 3  o 56.00016 5.026659 32.28200       5.663312  32.28200       
5.663312  0.000000       0.000000  56.00016 5.026659 ?        ?        
0.000000       5.026659 
1 1 1 -5  37 4  o 45.71085 7.722987 22.04330       6.923098  22.04330       
6.923098  0.000000       0.000000  45.71085 7.722987 ?        ?        
0.000000       7.722987 
1 1 1 -5  37 5  o 173.9213 4.110114 308.5045       14.53644  308.5045       
14.53644  0.000000       0.000000  173.9213 4.110114 ?        ?        
0.000000       4.110114 
1 1 1 -5  37 6  o 87.18143 5.856294 78.12411       10.32215  78.12411       
10.32215  0.000000       0.000000  87.18143 5.856294 ?        ?        
0.000000       5.856294 
1 1 1 -5  37 7  o 167.5343 4.764560 286.6593       16.23223  289.6435       
19.07738  278.8325       30.89566  168.2659 5.575338 163.9577 9.304806 
4.308151       10.84729 
1 1 1 -5  37 8  o 264.6174 4.777838 715.3177       25.70995  700.3793       
30.65926  750.7109       47.19217  261.5607 5.764182 269.6701 8.605690 
-8.109436      10.35778 
1 1 1 -5  37 9  o 30.90810 12.56940 4.437139       12.38798  6.512844       
18.02355  2.578521       17.05504  37.02462 15.12078 34.18428 14.39593 
2.840340       20.87776 
1 1 1 -5  37 10 o 79.83509 7.897496 66.35206       12.65323  65.33342       
16.90000  67.65152       19.08784  78.40466 10.89408 79.38573 12.21557 
-0.9810791     16.36769 
1 1 1 -5  37 11 o 277.6082 4.447386 787.4381       25.10664  771.1672       
34.63670  805.4518       36.44453  274.0871 6.214362 280.0328 6.399882 
-5.945770      8.920583 
1 1 1 -5  37 12 o 123.0174 5.984806 155.3508       14.97159  157.3004       
20.34365  153.0472       22.11289  123.0238 8.178417 121.0481 9.048746 
1.975708       12.19698 
1 1 1 -5  37 13 o 274.9911 5.479405 775.5267       30.64104  756.6146       
53.77610  784.6184       37.28569  269.0730 9.828059 276.0435 6.642219 
-6.970520      11.86212 
1 1 1 -5  37 14 f 31.98146 13.20428 4.190694       13.93356  11.25340       
19.09158  -3.858780      20.38167  39.95823 15.82228 33.90726 14.99579 
6.050972       21.79950 
1 1 1 -5  37 15 o 74.38417 10.44646 59.24606       15.36600  73.13274       
21.53215  44.83479       21.93507  81.56386 13.45085 62.47010 16.87072 
19.09376       21.57653 
1 1 1 -5  37 16 o 65.77588 14.86489 49.14228       19.41497  52.51564       
22.24223  38.34589       39.79117  67.41319 16.38501 60.18362 23.12509 
7.229568       28.34146 
1 1 1 -5  37 17 o 38.53733 14.71360 13.00201       16.04490  25.75532       
22.66200  0.1834125      22.71992  49.06270 17.71821 36.68663 16.04132 
12.37607       23.90103 
1 1 1 -5  37 18 o 78.71947 12.86412 70.05604       19.88128  68.64785       
31.50096  70.98831       25.63094  72.65202 20.45432 76.59471 16.90805 
-3.942688      26.53792 
1 1 1 -5  37 19 o 53.71009 14.99124 35.37913       16.99759  67.42114       
23.95218  2.872522       24.12520  73.45535 16.44472 37.10286 16.36669 
36.35249       23.20124 
1 1 1 -5  37 20 o 53.75830 14.73339 36.68459       16.58503  57.21875       
23.97975  17.85506       22.96284  64.68291 17.71132 41.57328 17.03308 
23.10963       24.57268 
1 1 1 -5  38 1  o 199.1042 8.765423 409.3925       35.48989  409.3925       
35.48989  0.000000       0.000000  199.1042 8.765423 ?        ?        
0.000000       8.765423 
1 1 1 -5  38 2  o 131.3979 9.638902 179.7296       25.57564  179.7296       
25.57564  0.000000       0.000000  131.3979 9.638902 ?        ?        
0.000000       9.638902 
1 1 1 -5  38 3  o 128.4628 3.713338 168.2582       9.700483  168.2582       
9.700483  0.000000       0.000000  128.4628 3.713338 ?        ?        
0.000000       3.713338 
1 1 1 -5  38 4  o 124.5498 4.108513 158.2666       10.40589  158.2666       
10.40589  0.000000       0.000000  124.5498 4.108513 ?        ?        
0.000000       4.108513 
1 1 1 -5  38 5  o 138.0604 4.292516 194.5404       12.05126  194.5404       
12.05126  0.000000       0.000000  138.0604 4.292516 ?        ?        
0.000000       4.292516 
1 1 1 -5  38 6  o 82.86858 5.465980 70.56644       9.159325  75.88672       
9.971816  41.85194       23.16636  85.90322 5.741452 61.31521 17.63521 
24.58801       18.54629 
1 1 1 -5  38 7  o 85.98456 6.717070 76.36710       11.65172  68.65035       
13.50055  98.89602       23.06770  81.15321 8.297471 96.42841 12.02514 
-15.27521      14.61000 
1 1 1 -5  38 8  o 174.6366 5.010578 311.8843       17.79404  292.5929       
21.11640  359.1342       33.04748  168.9044 6.147908 186.3158 8.722426 
-17.41133      10.67134 
1 1 1 -5  38 9  o 27.05330 11.08753 2.927133       9.733704  -3.485202      
11.53668  18.76902       18.13327  25.33945 11.24059 44.31844 15.86745 
-18.97899      19.44548 
1 1 1 -5  38 10 o 313.3524 6.176242 1008.187       39.35580  1008.187       
39.35580  0.000000       0.000000  313.3524 6.176242 ?        ?        
0.000000       6.176242 
1 1 1 -5  38 11 o 33.84661 12.78629 9.274226       12.03623  13.69746       
16.02007  3.541148       18.23847  39.66102 14.79843 35.43983 14.90385 
4.221184       21.00282 
1 1 1 -5  38 12 o 88.81999 7.994186 82.35124       14.28428  85.67590       
19.03105  78.06160       21.61721  89.74058 10.63547 84.71284 12.96087 
5.027733       16.76596 
1 1 1 -5  38 13 o 169.2092 6.363380 294.8181       21.89592  269.3281       
38.54962  306.9581       26.60393  158.7953 12.02724 172.1988 7.597388 
-13.40344      14.22585 
1 1 1 -5  38 14 o 101.9709 8.581608 108.9947       17.62949  105.1445       
21.98631  115.9277       29.50348  99.15909 11.09366 102.4513 14.57201 
-3.292252      18.31428 
1 1 1 -5  38 15 f 153.9160 6.123644 244.1188       19.16660  219.9270       
26.02677  272.7835       28.33092  144.7840 8.882838 161.4187 8.662528 
-16.63470      12.40743 
1 1 1 -5  38 16 o 93.55743 11.06636 94.60390       20.64613  70.58871       
23.77181  168.3363       41.65324  78.47236 15.44678 120.4404 17.52052 
-41.96803      23.35748 
1 1 1 -5  38 17 o 68.69508 17.37175 57.23074       24.28259  0.000000       
0.000000  57.23074       24.28259  ?        ?        68.69508 17.37175 
0.000000       17.37175 
1 1 1 -5  38 18 o 25.97563 12.18264 -12.87363      16.25447  -18.22832      
22.06005  -6.513430      24.04224  29.51363 13.95002 34.30859 15.63029 
-4.794968      20.95015 
1 1 1 -5  38 19 o 89.01014 9.884692 88.06261       17.58964  85.79712       
25.69080  90.06173       24.13321  82.71098 15.85133 86.33887 14.24205 
-3.627884      21.30964 
1 1 1 -5  38 20 o 68.60689 12.59152 56.90041       16.91962  61.51304       
24.67196  52.80505       23.24744  65.85738 17.93709 61.03135 17.69874 
4.826031       25.19890 
1 1 1 -5  39 1  o 131.2511 7.306009 177.8372       19.42273  187.3219       
27.52301  168.4281       27.41308  133.7808 10.19370 126.6133 10.74857 
7.167473       14.81361 
1 1 1 -5  39 2  o 52.48642 13.96813 30.27785       15.17096  18.72978       
20.86362  43.23475       22.09966  45.69137 16.91962 62.14499 16.99723 
-16.45362      23.98290 
1 1 1 -5  39 3  o 33.10379 8.060477 11.75137       5.375421  11.75137       
5.375421  0.000000       0.000000  33.10379 8.060477 ?        ?        
0.000000       8.060477 
1 1 1 -5  39 4  o 39.66700 8.648628 16.88331       6.779637  16.88331       
6.779637  0.000000       0.000000  39.66700 8.648628 ?        ?        
0.000000       8.648628 
1 1 1 -5  39 5  o 113.7929 4.278182 132.2182       9.899783  141.4122       
10.77011  82.12991       25.13826  117.6561 4.501468 86.66843 14.79442 
30.98772       15.46409 
1 1 1 -5  39 6  o 78.53024 5.694088 63.51125       9.031325  62.72165       
9.827353  67.80135       22.90700  77.93566 6.253481 78.49075 14.89644 
-0.5550919     16.15580 
1 1 1 -5  39 7  o 50.25222 10.63638 27.32779       10.53044  35.67037       
12.42398  6.043777       19.84438  57.48426 11.02937 38.05238 15.73823 
19.43188       19.21819 
1 1 1 -5  39 8  o 127.1269 6.836650 166.7594       17.60898  163.5460       
22.59635  171.7285       28.09925  125.2503 8.930225 127.5881 10.93580 
-2.337837      14.11881 
1 1 1 -5  39 9  o 103.6305 5.965342 110.6008       12.51805  106.5114       
14.49755  122.5837       24.81684  101.4278 7.073163 107.3257 11.55281 
-5.897903      13.54611 
1 1 1 -5  39 10 o 73.52077 8.561903 56.82388       12.56090  64.60935       
16.65348  46.55006       19.13060  77.74434 10.82773 64.46379 14.89317 
13.28055       18.41321 
1 1 1 -5  39 11 o 102.3006 6.878564 108.4188       14.22643  95.62596       
18.46884  127.0853       22.30936  95.17204 9.677497 109.6668 10.11779 
-14.49472      14.00084 
1 1 1 -5  39 12 o 104.7329 7.064450 113.8255       14.95780  105.9277       
20.05494  123.7268       22.45496  100.0091 9.995077 108.0038 10.35080 
-7.994766      14.38891 
1 1 1 -5  39 13 o 80.78838 11.47616 70.50867       18.32371  65.65236       
30.79855  73.16953       22.79749  74.10241 19.98178 81.06116 14.35544 
-6.958748      24.60386 
1 1 1 -5  39 14 o 43.95722 14.87606 20.38719       15.81999  17.08045       
19.81548  26.19965       26.27146  43.39344 16.40280 51.02942 18.96836 
-7.635979      25.07689 
1 1 1 -5  39 15 o 122.5183 7.037983 156.1630       17.46117  147.4409       
24.00180  165.9688       25.44937  117.6197 10.13380 124.8473 10.11096 
-7.227600      14.31522 
1 1 1 -5  39 16 o 38.03481 15.51112 9.413064       18.93204  19.36263       
21.86066  -20.43755      37.86498  44.87766 17.16489 40.17560 18.76208 
4.702057       25.42929 
1 1 1 -5  39 17 o 97.21196 9.172945 101.6347       17.91906  100.8281       
25.18030  102.4623       25.50558  93.92470 13.57753 94.64103 13.64714 
-0.7163315     19.25081 
1 1 1 -5  39 18 o 39.49112 15.03271 16.18829       16.71708  20.97453       
23.78870  11.51868       23.49704  44.41466 17.63803 39.96899 16.86819 
4.445675       24.40565 
1 1 1 -5  39 19 o 61.37449 13.60699 46.47565       16.53690  54.71731       
24.63946  39.72024       22.30746  62.19354 18.27431 53.47496 17.65749 
8.718578       25.41137 
1 1 1 -5  40 1  o 200.4542 6.176153 412.5829       25.17588  417.6191       
35.66801  407.5825       35.54048  200.6946 8.739603 198.2345 8.816428 
2.460159       12.41411 
1 1 1 -5  40 2  o 41.25303 14.49581 16.55346       15.06791  4.329118       
20.80722  30.03312       21.84946  37.92327 15.93198 52.92387 17.47528 
-15.00060      23.64769 
1 1 1 -5  40 3  o 16.55225 7.343414 -1.680240      4.925132  -3.155825      
5.070515  22.95048       20.71613  15.76386 7.180274 48.03497 16.98515 
-32.27112      18.44049 
1 1 1 -5  40 4  o 62.33386 5.720316 40.16379       7.170064  43.64254       
7.616243  13.05558       21.26080  64.97971 5.825700 42.54428 16.74426 
22.43543       17.72877 
1 1 1 -5  40 5  o 70.33916 5.771207 51.07270       8.182229  46.63799       
8.760814  81.35934       22.89480  67.05359 6.506882 86.56792 13.44148 
-19.51433      14.93362 
1 1 1 -5  40 6  o 110.8622 4.575860 125.6629       10.31591  129.9001       
11.31971  104.9009       25.05733  112.6638 4.940823 98.73589 12.77969 
13.92793       13.70154 
1 1 1 -5  40 7  o 26.03594 11.01973 0.9278421      10.07463  0.7959970E-01  
11.55875  3.609391       20.55150  27.23910 11.67446 37.30244 15.76094 
-10.06334      19.61377 
1 1 1 -5  40 8  o 180.0938 5.960625 333.1527       21.82940  334.9164       
28.71530  330.7379       33.59983  179.9018 7.849220 177.9175 9.319234 
1.984268       12.18435 
1 1 1 -5  40 9  o 175.3492 5.356741 315.3522       19.10099  285.4418       
22.45650  393.6097       36.32398  166.4429 6.634765 194.2761 9.194383 
-27.83322      11.33829 
1 1 1 -5  40 10 o 45.42892 12.76511 22.73684       12.28125  7.086497       
15.79368  46.67455       19.53272  35.19291 14.23518 64.24158 15.19072 
-29.04866      20.81822 
1 1 1 -5  40 11 o 38.03796 13.21452 14.41069       12.50491  11.69086       
16.76914  17.81775       18.76850  38.57042 14.95925 43.47442 16.05776 
-4.903999      21.94609 
1 1 1 -5  40 12 o 115.4137 6.693158 138.0282       15.64123  114.8185       
21.21840  165.6496       23.14734  103.9347 10.16953 125.4920 9.133212 
-21.55727      13.66876 
1 1 1 -5  40 13 o 136.6751 6.459169 192.8755       17.95220  200.0076       
25.14386  185.4591       25.63988  137.9197 9.014674 132.5068 9.579946 
5.412933       13.15446 
1 1 1 -5  40 14 o 29.88653 13.15339 -2.193839      15.49690  6.202868       
19.86861  -15.23653      24.76262  37.40756 15.63214 33.33354 15.43162 
4.074024       21.96585 
1 1 1 -5  40 15 o 63.01022 12.94846 44.79050       16.03658  80.13776       
22.52464  8.456516       22.83687  84.45564 13.57515 40.05690 16.75093 
44.39874       21.56104 
1 1 1 -5  40 16 o 75.21940 11.21496 62.59430       16.63019  90.60210       
23.58114  34.88149       23.45662  89.34324 13.39195 53.77351 18.11455 
35.56973       22.52735 
1 1 1 -5  40 17 o 78.09164 12.37840 69.76201       19.00152  119.3312       
32.94133  45.04442       23.26153  98.05309 17.14499 59.10826 17.85063 
38.94482       24.75067 
1 1 1 -5  40 18 o 81.58281 10.77122 75.64280       17.43267  57.40499       
25.46739  91.72227       23.91299  64.28170 18.49084 87.02258 13.98673 
-22.74088      23.18491 
1 1 1 -5  40 19 o 51.25018 14.57845 34.43298       15.91684  14.29717       
23.04019  52.81587       22.01447  38.91441 16.57518 61.27283 17.04609 
-22.35842      23.77616 
1 1 1 -5  41 1  o 69.03019 12.13565 51.81021       16.41363  59.28056       
22.33889  43.04541       24.19704  72.63581 15.59008 61.40030 18.12893 
11.23552       23.91043 
1 1 1 -5  41 2  o 46.82785 14.36211 23.85129       14.97816  38.26984       
21.40188  10.00959       20.96939  58.20957 17.01087 40.60972 16.41092 
17.59985       23.63658 
1 1 1 -5  41 3  o 144.9200 3.556773 214.3123       10.48180  213.4284       
11.24799  220.1451       28.89440  144.5799 3.825742 144.8318 9.869491 
-0.2518768     10.58504 
1 1 1 -5  41 4  o 58.21957 6.195832 35.22391       7.222618  36.32866       
7.672453  26.62274       21.40824  59.07394 6.494048 50.36272 17.30192 
8.711216       18.48051 
1 1 1 -5  41 5  o 65.05028 6.312615 43.91981       8.245323  50.39889       
8.901886  4.794313       21.87535  69.71673 6.348617 38.73352 16.30739 
30.98321       17.49960 
1 1 1 -5  41 6  o 105.2491 4.760515 113.3965       10.18882  116.9345       
11.12036  94.89371       25.43062  106.8220 5.119255 93.13183 13.84946 
13.69019       14.76530 
1 1 1 -5  41 7  o 30.41700 12.16940 5.425831       11.40575  2.893132       
13.48028  11.80785       21.39863  30.78848 12.87196 41.66132 16.66844 
-10.87284      21.06001 
1 1 1 -5  41 8  o 127.3082 6.869707 167.7713       17.71884  158.4045       
23.09020  181.1873       27.63391  122.7797 9.317526 130.8130 10.47609 
-8.033333      14.02016 
1 1 1 -5  41 9  o 121.9791 5.052751 152.5955       12.53328  152.0283       
14.13042  154.6878       27.13870  121.6065 5.714084 120.3443 11.21882 
1.262276       12.59018 
1 1 1 -5  41 10 o 131.1286 5.145605 176.4783       13.72099  165.7084       
15.38354  218.3815       30.34411  126.8615 5.963140 143.4411 10.47522 
-16.57957      12.05360 
1 1 1 -5  41 11 o 62.55239 10.85251 42.55394       13.30412  28.47694       
17.89526  59.94860       19.89258  50.39585 15.73880 73.22538 13.86684 
-22.82953      20.97615 
1 1 1 -5  41 12 o 140.7002 5.935940 204.0257       16.98384  197.8846       
23.13345  211.2058       25.01419  137.4508 8.315548 141.8150 8.716089 
-4.364182      12.04652 
1 1 1 -5  41 13 o 72.93260 10.48227 57.50457       15.09957  66.36657       
20.46059  46.90594       22.37573  77.03387 13.55629 63.10349 17.03831 
13.93038       21.77331 
1 1 1 -5  41 14 o 49.97290 14.99508 28.65004       16.45335  42.74988       
20.87271  5.510694       26.73913  60.09209 16.55301 41.18226 17.70626 
18.90983       24.23869 
1 1 1 -5  41 15 o 21.32758 10.45248 -27.58735      15.36339  -37.15016      
20.56905  -15.52039      23.10577  24.37139 11.97442 31.44025 14.67378 
-7.068861      18.93955 
1 1 1 -5  41 16 o 51.36422 14.46390 31.53421       15.74995  39.64624       
22.13392  23.21384       22.41636  56.14022 17.49903 46.00854 17.43293 
10.13167       24.70066 
1 1 1 -5  41 17 o 101.4941 9.713842 113.7699       19.80368  123.2368       
32.40283  108.1253       25.02050  98.60711 16.75909 95.88594 13.18040 
2.721169       21.32112 
1 1 1 -5  41 18 o 79.00726 12.76897 75.36948       19.81538  72.59411       
40.31358  76.25363       22.75380  62.90698 23.47457 77.20414 15.03382 
-14.29716      27.87600 
1 1 1 -5  42 1  o 131.8822 7.510151 180.6596       20.05791  152.5208       
27.44251  212.9337       29.38984  119.4704 11.43537 141.9620 10.24951 
-22.49162      15.35644 
1 1 1 -5  42 2  o 57.72345 13.47944 37.16911       15.53568  40.90549       
22.08202  33.50709       21.86120  59.73042 17.22863 54.68992 17.43684 
5.040497       24.51263 
1 1 1 -5  42 3  o 58.28426 5.466187 35.16986       6.403005  33.21088       
6.690961  56.47084       22.06346  56.53743 5.906924 70.54150 15.77611 
-14.00407      16.84569 
1 1 1 -5  42 4  o 158.4187 3.729215 256.3246       12.01366  261.8526       
13.20264  229.7135       28.96731  160.0520 4.056470 147.7835 9.692668 
12.26848       10.50727 
1 1 1 -5  42 5  o 131.1860 4.138850 175.9716       11.04126  176.4182       
12.12683  173.8069       26.69885  131.2770 4.542629 128.1359 10.33426 
3.141037       11.28860 
1 1 1 -5  42 6  o 41.60680 10.14476 18.90968       8.505952  14.53587       
9.176380  45.60369       22.66984  36.85640 11.22986 62.79379 17.23185 
-25.93739      20.56809 
1 1 1 -5  42 7  o 86.12486 6.346526 76.87521       11.03685  85.93143       
12.41092  42.63567       24.13208  90.97041 6.757175 60.58285 18.15593 
30.38757       19.37259 
1 1 1 -5  42 8  f 27.14603 11.75079 -0.5429521     11.93742  -7.920506      
14.35749  15.97795       21.48519  26.37800 12.04104 43.59562 16.92580 
-17.21762      20.77184 
1 1 1 -5  42 9  o 62.00672 8.758199 40.93909       10.73605  34.60710       
11.92822  67.95065       24.63657  56.26955 10.81733 76.83469 16.27417 
-20.56514      19.54132 
1 1 1 -5  42 10 o 60.95908 9.303770 39.85707       11.16774  40.48176       
12.81006  37.87862       22.79723  60.95473 10.72625 57.09025 17.75342 
3.864483       20.74214 
1 1 1 -5  42 11 o 24.30002 10.88067 -3.921398      11.07487  7.112996       
13.28968  -29.00164      20.03577  32.95230 13.15255 25.82307 12.49072 
7.129223       18.13857 
1 1 1 -5  42 12 o 42.63593 14.01612 19.69180       14.06129  0.6302398      
18.94999  43.04536       20.97521  34.09189 14.78134 60.53719 16.55987 
-26.44530      22.19724 
1 1 1 -5  42 13 o 82.19904 9.531092 72.41997       15.63600  51.82585       
20.55566  100.6981       24.08714  66.65295 15.46462 95.33847 12.74301 
-28.68552      20.03843 
1 1 1 -5  42 14 o 69.35033 12.84937 54.44969       17.45367  52.34608       
21.63481  58.37067       29.53712  66.12443 16.21372 67.56855 20.04971 
-1.444122      25.78518 
1 1 1 -5  42 15 o 32.55539 14.27482 0.3342417      18.10336  -8.996989      
20.76591  29.88400       36.95375  31.20991 14.33381 52.60144 21.58610 
-21.39153      25.91173 
1 1 1 -5  42 16 o 37.58837 14.19087 14.46714       14.81992  19.16521       
20.86721  9.685924       21.05105  42.57312 16.63827 37.94192 15.98688 
4.631203       23.07406 
1 1 1 -5  42 17 o 26.96049 12.53524 -8.553290      16.60830  -18.01245      
27.54407  -3.149487      20.81861  32.06444 15.27976 31.89463 14.53603 
0.1698055      21.08950 
1 1 1 -5  42 18 o 31.43968 13.92230 3.201943       17.62299  43.32993       
36.19156  -9.269836      20.17659  50.25190 21.05650 28.82262 13.53553 
21.42928       25.03171 
1 1 1 -5  43 1  f 75.64348 16.69775 66.16081       24.99772  0.000000       
0.000000  66.16081       24.99772  ?        ?        75.64348 16.69775 
0.000000       16.69775 
1 1 1 -5  43 2  o 34.92100 14.10922 7.280678       15.49646  -16.93425      
21.92999  31.43082       21.90064  30.68078 14.31134 52.99864 17.49553 
-22.31786      22.60327 
1 1 1 -5  43 3  o 95.09682 4.153028 92.52836       8.031233  91.72437       
8.512232  99.04533       24.23485  94.64311 4.422858 95.17674 12.85006 
-0.5336304     13.58991 
1 1 1 -5  43 4  f 65.93339 5.762145 45.06659       7.648153  43.15272       
8.143066  59.39108       22.27777  64.38595 6.300081 72.09875 15.64426 
-7.712807      16.86517 
1 1 1 -5  43 5  o 110.9624 4.569368 126.1642       10.31059  126.9693       
11.26698  122.0164       25.57246  111.2352 4.980969 106.1410 12.06202 
5.094177       13.04999 
1 1 1 -5  43 6  o 145.6600 4.629858 217.4863       13.71386  233.7912       
15.65164  163.5982       28.45429  150.8909 5.100884 123.3403 11.47633 
27.55059       12.55887 
1 1 1 -5  43 7  o 52.29762 10.12145 29.79880       10.37497  28.81876       
11.56339  33.84494       23.49548  51.02979 11.42742 54.54004 18.12699 
-3.510246      21.42834 
1 1 1 -5  43 8  o 149.3119 5.639322 229.5877       17.12272  232.8858       
20.84498  222.7457       30.02369  149.9350 6.836709 144.6440 10.27416 
5.290970       12.34095 
1 1 1 -5  43 9  o 165.6117 4.487190 281.2120       15.11183  292.0078       
17.20504  244.7664       31.61196  168.5848 5.018638 151.5217 10.32095 
17.06302       11.47644 
1 1 1 -5  43 10 o 24.42742 10.89380 -3.374443      10.98285  -12.02180      
12.34912  29.34669       24.02196  22.41073 10.54507 51.58281 18.28481 
-29.17208      21.10765 
1 1 1 -5  43 11 o 125.1431 5.559503 161.4317       14.14798  168.7663       
16.38017  139.8873       28.07351  127.7050 6.307524 112.9253 12.43102 
14.77975       13.93970 
1 1 1 -5  43 12 o 49.65874 13.71058 28.23647       14.30059  19.77210       
19.28083  38.58679       21.32088  44.12667 16.28007 56.93090 17.06663 
-12.80423      23.58624 
1 1 1 -5  43 13 o 41.21071 14.49000 18.06228       15.05696  6.760645       
20.94696  30.14462       21.65838  37.76533 15.93175 50.86318 17.40502 
-13.09785      23.59566 
1 1 1 -5  43 14 o 57.81469 14.78795 39.95230       17.45558  45.53078       
21.70923  29.74934       29.35958  60.56086 16.95575 51.12239 19.80319 
9.438461       26.07037 
1 1 1 -5  43 15 o 98.75208 9.223303 106.1979       18.30741  93.25444       
22.74827  129.9915       30.84289  89.83479 12.81567 104.0992 15.00314 
-14.26437      19.73159 
1 1 1 -5  43 16 o 91.67945 8.780092 92.28671       16.16881  130.5779       
23.57188  58.26093       22.22024  107.0469 10.98415 66.57225 16.49740 
40.47462       19.81958 
1 1 1 -5  43 17 o 48.37830 15.19021 31.49981       16.64437  0.7054703      
29.57761  45.77066       20.13505  36.64682 16.93019 57.22800 16.43557 
-20.58118      23.59574 
1 1 1 -5  43 18 o 32.98706 14.29021 8.140281       17.68164  -2.056298      
37.04438  11.14871       20.12170  37.02345 17.66417 35.26034 15.25970 
1.763103       23.34269 
1 1 1 -5  44 1  o 67.23206 17.19816 53.43492       23.60789  0.000000       
0.000000  53.43492       23.60789  ?        ?        67.23206 17.19816 
0.000000       17.19816 
1 1 1 -5  44 2  o 32.22844 14.67942 -9.300389      21.19141  0.000000       
0.000000  -9.300389      21.19141  ?        ?        32.22844 14.67942 
0.000000       14.67942 
1 1 1 -5  44 3  o 68.46206 5.374921 48.50809       7.422814  46.55509       
7.820920  66.23975       23.56577  66.96396 5.800647 75.80504 15.79962 
-8.841080      16.83079 
1 1 1 -5  44 4  o 86.79134 5.192064 77.71051       9.121583  76.19464       
9.898232  86.24882       23.49159  85.80989 5.704931 88.03139 13.55787 
-2.221497      14.70925 
1 1 1 -5  44 5  o 37.43204 10.63004 15.33350       8.469901  17.96099       
9.083357  -2.171292      23.44522  40.34616 10.83987 36.43685 16.10049 
3.909313       19.40950 
1 1 1 -5  44 6  o 53.23602 9.230134 30.62068       9.630128  35.54403       
10.68367  9.286201       22.23981  57.36260 9.490699 40.28639 16.66154 
17.07621       19.17499 
1 1 1 -5  44 7  o 88.21558 5.927202 80.67878       10.57103  85.25343       
11.62996  58.93410       25.35571  90.56462 6.355176 70.19613 17.75152 
20.36849       18.85483 
1 1 1 -5  44 8  o 124.9250 6.404645 161.9790       16.21561  165.7291       
19.52385  153.6390       29.11562  125.8164 7.667507 118.5159 12.25802 
7.300514       14.45855 
1 1 1 -5  44 9  o 48.93713 11.32992 26.70586       11.05255  31.61306       
12.39355  7.639840       24.42918  53.17425 11.77242 40.69032 17.18752 
12.48393       20.83269 
1 1 1 -5  44 10 o 57.79033 10.44354 36.63288       11.82140  38.69077       
13.68248  30.57403       23.47728  58.87563 11.83860 51.85508 18.10132 
7.020554       21.62892 
1 1 1 -5  44 11 o 33.66677 12.70181 9.984897       11.86792  17.73082       
13.85989  -11.30321      22.97692  40.70427 13.92330 32.69468 15.03857 
8.009594       20.49431 
1 1 1 -5  44 12 o 33.57241 12.66777 10.08160       11.80530  6.448225       
14.17771  18.29616       21.31786  32.82357 13.40864 43.63577 16.88253 
-10.81220      21.55949 
1 1 1 -5  44 13 o 131.2791 6.630291 180.4744       17.64298  163.4107       
24.78896  197.9915       25.11614  122.6380 10.02761 135.7692 9.150411 
-13.13117      13.57509 
1 1 1 -5  44 14 o 48.45540 15.30560 28.62934       16.87401  24.73564       
21.34863  35.11152       27.54543  46.09998 17.10638 52.41613 19.43488 
-6.316154      25.89098 
1 1 1 -5  44 15 o 76.08247 11.45295 66.69726       17.17028  92.64570       
22.33145  29.17385       26.85421  88.68435 12.74935 47.96639 18.83746 
40.71796       22.74634 
1 1 1 -5  44 16 o 40.41831 14.17355 20.32178       14.40193  9.087424       
21.51770  29.43846       19.38384  36.25139 15.73431 46.50550 16.43145 
-10.25411      22.74997 
1 1 1 -5  44 17 o 71.19579 11.34158 61.37383       15.86933  58.24905       
23.72301  63.90459       21.34942  61.48674 17.89271 67.66003 15.80273 
-6.173290      23.87206 
1 1 1 -5  45 1  o 50.12543 17.85105 27.77271       22.92126  0.000000       
0.000000  27.77271       22.92126  ?        ?        50.12543 17.85105 
0.000000       17.85105 
1 1 1 -5  45 2  o 116.7821 11.77230 148.7163       27.57556  0.000000       
0.000000  148.7163       27.57556  ?        ?        116.7821 11.77230 
0.000000       11.77230 
1 1 1 -5  45 3  o 104.4712 4.437339 111.9786       9.426940  117.3525       
10.17846  79.56573       24.99740  106.8942 4.682488 83.11648 15.35523 
23.77768       16.05331 
1 1 1 -5  45 4  o 80.99532 5.671750 68.00887       9.282802  67.14046       
10.05516  73.01904       24.15201  80.32285 6.204085 79.43896 15.50745 
0.8838882      16.70244 
1 1 1 -5  45 5  o 92.47732 5.633652 88.55224       10.54389  96.07544       
11.73676  57.08315       24.00430  96.21529 6.029088 69.10223 17.16047 
27.11305       18.18878 
1 1 1 -5  45 6  o 33.46024 11.10944 11.65597       8.825882  8.532477       
9.573448  29.34502       22.78246  30.94144 11.46050 50.99290 17.82970 
-20.05146      21.19532 
1 1 1 -5  45 7  o 134.6619 4.684673 186.3241       12.82849  191.2405       
14.27302  165.6568       29.26390  136.2786 5.150348 123.1126 11.83486 
13.16599       12.90697 
1 1 1 -5  45 8  o 92.86211 8.146064 91.14699       15.22746  76.55214       
18.20846  125.1001       27.77238  83.76386 10.95194 105.9067 13.18068 
-22.14280      17.13695 
1 1 1 -5  45 9  o 34.24880 12.24389 11.51537       10.79312  10.17866       
12.28207  16.04752       22.61547  34.07893 12.90607 43.29002 17.19563 
-9.211090      21.50015 
1 1 1 -5  45 10 o 28.91884 12.01831 3.541344       11.65222  5.803280       
13.31522  -3.855239      24.07819  31.79947 12.99281 35.74921 16.02276 
-3.949743      20.62867 
1 1 1 -5  45 11 o 50.84623 12.30904 29.58496       12.59088  28.47206       
14.33322  33.34588       26.34892  49.44388 13.75413 52.93620 19.10705 
-3.492325      23.54263 
1 1 1 -5  45 12 o 65.28896 10.64486 47.41160       13.64585  52.26622       
15.48292  30.51856       28.88214  68.10033 11.59579 51.19604 19.69464 
16.90429       22.85479 
1 1 1 -5  45 13 o 41.01779 14.57350 18.89115       15.26849  -6.056086      
21.60483  43.78338       21.58101  32.39214 14.78027 58.41516 17.08505 
-26.02302      22.59105 
1 1 1 -5  45 14 o 25.06706 11.87014 -13.87962      16.10993  -12.21086      
19.89943  -17.05348      27.44328  28.77753 13.49125 32.67853 15.47971 
-3.900999      20.53376 
1 1 1 -5  45 15 o 55.37239 12.98233 37.97880       14.36442  39.54855       
21.65901  36.74620       19.19259  52.78987 17.39740 51.79354 16.31939 
0.9963341      23.85355 
1 1 1 -5  45 16 o 21.98657 10.60590 -15.82170      14.20278  -19.11638      
21.18031  -13.12979      19.14506  26.75932 12.91916 26.78320 12.75640 
-0.2388000E-01 18.15573 
1 1 1 -5  45 17 o 71.03387 11.13769 62.07504       15.55939  66.12816       
23.76737  59.03521       20.58314  64.67142 17.60150 63.32236 15.98326 
1.349064       23.77556 
1 1 1 -5  46 1  o 42.13380 15.15234 18.53068       16.55302  18.74351       
21.85526  18.24433       25.35079  44.29170 17.10585 45.44539 18.15666 
-1.153690      24.94543 
1 1 1 -5  46 2  o 25.34927 11.95427 -15.05914      16.03215  -26.02832      
22.06110  -2.782836      23.33855  28.01903 13.43880 35.68497 15.89979 
-7.665941      20.81837 
1 1 1 -5  46 3  o 64.77441 5.941957 43.77395       7.739557  45.48489       
8.176521  29.03780       23.99627  65.97478 6.166008 50.72216 18.24341 
15.25261       19.25725 
1 1 1 -5  46 4  o 69.79317 6.417823 50.96945       9.006563  51.35643       
9.691642  48.51882       24.38857  69.90532 6.908046 62.85760 18.09897 
7.047722       19.37250 
1 1 1 -5  46 5  o 93.78719 5.248388 90.97667       9.969526  92.20551       
10.85742  84.37193       25.17142  94.28119 5.689704 85.38488 15.04666 
8.896309       16.08648 
1 1 1 -5  46 6  o 85.92672 5.975400 76.81525       10.37616  71.15394       
11.34475  105.7867       25.66385  82.39578 6.832420 96.93253 13.37606 
-14.53675      15.02002 
1 1 1 -5  46 7  o 125.9994 4.921328 163.4894       12.60963  167.9317       
14.09182  145.6422       28.24550  127.5230 5.434096 114.6800 12.30410 
12.84299       13.45066 
1 1 1 -5  46 8  o 108.6966 5.786862 122.6435       12.74511  115.2084       
14.27535  151.8528       28.29463  104.9650 6.723257 117.2049 12.04278 
-12.23988      13.79241 
1 1 1 -5  46 9  o 57.64517 10.21617 36.66260       11.53733  29.17527       
12.96844  65.08065       25.26512  50.38366 12.67010 72.85331 17.30971 
-22.46965      21.45128 
1 1 1 -5  46 10 o 53.12907 11.38700 31.94095       11.93265  30.44726       
13.88014  36.17176       23.36018  51.11552 13.24541 54.14655 18.07807 
-3.031036      22.41110 
1 1 1 -5  46 11 o 79.67695 8.237578 68.09809       13.15429  71.16175       
15.04430  58.15125       27.10782  80.89695 9.315221 66.52825 19.05964 
14.36870       21.21422 
1 1 1 -5  46 12 o 57.64466 11.60861 38.24578       13.13722  45.14460       
15.29006  18.79060       25.67671  62.19970 12.52173 44.02240 18.02111 
18.17730       21.94435 
1 1 1 -5  46 13 o 47.26352 12.24150 26.64297       11.85950  36.82188       
15.39338  11.77780       18.60236  54.72276 13.82742 37.23726 15.30224 
17.48550       20.62416 
1 1 1 -5  46 14 o 35.72338 13.84773 13.50006       14.36384  47.51258       
20.80891  -17.45599      19.85193  58.82019 16.64707 26.84060 12.84036 
31.97959       21.02379 
1 1 1 -5  46 15 o 32.48879 13.26685 9.922419       13.87284  44.24746       
20.51123  -19.01914      18.83420  54.88121 16.80258 25.15442 12.15353 
29.72678       20.73729 
1 1 1 -5  46 16 o 24.17881 11.46252 -9.736790      15.10650  2.798044       
26.94779  -15.48108      18.24241  34.17852 15.91658 25.02542 12.05863 
9.153101       19.96868 
1 1 1 -5  47 1  o 47.90874 15.12777 26.75959       16.48526  3.535318       
21.67524  58.62758       25.39043  36.67408 15.85470 68.58797 17.98348 
-31.91389      23.97451 
1 1 1 -5  47 2  o 52.14743 15.55628 32.31847       17.74625  19.18169       
24.67076  46.40401       25.54610  45.27285 17.96735 60.73886 18.77776 
-15.46601      25.98904 
1 1 1 -5  47 3  o 62.39481 5.979066 40.72745       7.493457  36.87122       
7.913454  74.19051       23.31135  59.12569 6.699978 79.66659 14.93810 
-20.54090      16.37182 
1 1 1 -5  47 4  o 78.98319 5.641522 64.87915       9.001507  59.88775       
9.623366  99.79860       25.45361  75.65413 6.312886 93.49152 13.80348 
-17.83739      15.17855 
1 1 1 -5  47 5  o 73.07465 6.326544 55.91483       9.308476  57.09301       
10.12743  49.50119       23.62904  73.66964 6.838180 63.17047 17.69073 
10.49917       18.96635 
1 1 1 -5  47 6  o 93.49439 5.745754 90.89201       10.87115  94.89748       
12.02521  72.97730       25.43141  95.35379 6.235940 77.72871 16.59420 
17.62508       17.72722 
1 1 1 -5  47 7  o 64.09338 8.342120 44.11731       10.61512  53.48994       
11.81508  4.879155       24.17466  70.64104 8.388830 38.64370 16.72499 
31.99734       18.71090 
1 1 1 -5  47 8  o 75.30720 7.741558 60.34661       11.68661  56.46452       
13.25476  73.90268       24.76885  72.14851 9.247073 78.26576 16.09990 
-6.117249      18.56650 
1 1 1 -5  47 9  o 35.28437 12.58223 12.83966       11.39101  17.83849       
12.94507  -4.310765      23.97771  39.99216 13.45703 34.94537 15.79684 
5.046791       20.75167 
1 1 1 -5  47 10 o 25.60168 11.37285 -2.085114      11.84997  -10.55123      
13.30913  30.29818       26.02963  23.62653 11.06265 50.01577 18.82364 
-26.38924      21.83373 
1 1 1 -5  47 11 o 73.10786 9.087580 58.61939       13.21877  59.72356       
14.86218  54.43858       28.91976  73.08445 10.28465 62.14817 20.08069 
10.93628       22.56121 
1 1 1 -5  47 12 o 93.70258 7.657330 94.58414       14.46333  86.93405       
16.18012  125.0033       32.26428  88.81017 9.087152 98.57563 16.69106 
-9.765465      19.00441 
1 1 1 -5  47 13 o 31.41479 12.88010 7.751388       13.14197  10.45543       
14.70029  -3.012598      29.32955  33.91919 13.72882 36.11308 16.74520 
-2.193882      21.65369 
1 1 1 -5  47 14 o 50.70386 14.53294 34.73712       15.75724  53.04373       
21.42758  13.17990       23.25229  60.45454 16.81695 37.59747 16.33741 
22.85706       23.44612 
1 1 1 -5  47 15 o 59.44949 12.52145 45.62953       14.65939  49.37111       
22.15773  42.71699       19.54942  55.21419 17.54948 52.66784 16.45043 
2.546356       24.05412 
1 1 1 -5  48 1  o 39.68652 15.03790 15.60473       16.68041  29.78569       
23.12280  0.2177402      24.08599  50.02251 17.91711 36.62949 16.24561 
13.39303       24.18559 
1 1 1 -5  48 2  o 78.73173 12.28965 70.16404       19.03338  76.33020       
26.42542  63.51645       27.43764  78.73882 17.00139 70.20632 18.83013 
8.532501       25.36969 
1 1 1 -5  48 3  o 57.49670 6.698366 34.98418       7.685030  34.91251       
8.115796  35.60614       23.90649  57.29481 7.119157 53.61784 18.28632 
3.676968       19.62325 
1 1 1 -5  48 4  o 96.26823 5.039564 95.99132       9.831386  96.90665       
10.61673  90.48206       26.04647  96.58627 5.427348 87.40070 15.20720 
9.185577       16.14667 
1 1 1 -5  48 5  o 68.71854 6.945843 49.94903       9.572970  47.83404       
10.41936  61.40337       24.24776  66.89801 7.805851 70.21640 17.13320 
-3.318390      18.82758 
1 1 1 -5  48 6  o 88.43472 6.157052 81.85538       11.00346  76.78255       
12.12878  105.4501       26.15772  85.25578 7.059385 95.36792 13.89637 
-10.11214      15.58666 
1 1 1 -5  48 7  o 82.17274 6.898058 71.32110       11.42008  70.10574       
12.83189  75.95045       25.04366  81.00533 7.889935 78.79984 16.17069 
2.205498       17.99284 
1 1 1 -5  48 8  o 28.68860 11.71485 4.938050       10.81670  12.20574       
12.30155  -19.83328      22.71099  35.02962 12.98793 29.41427 13.97639 
5.615347       19.07946 
1 1 1 -5  48 9  o 44.48441 12.61865 23.33097       11.94223  18.72347       
13.39067  41.23914       26.39949  40.39433 13.68622 55.44637 19.20385 
-15.05204      23.58179 
1 1 1 -5  48 10 o 101.5860 6.802294 109.4955       13.97090  113.4193       
15.81318  95.53793       29.82451  102.8623 7.613913 85.36407 17.75925 
17.49818       19.32260 
1 1 1 -5  48 11 o 36.73856 13.00497 15.31962       12.14795  15.62251       
13.88730  14.33253       25.06949  37.43074 13.81525 40.61302 17.29399 
-3.182281      22.13466 
1 1 1 -5  48 12 o 83.99941 9.726919 79.99782       16.30767  71.46988       
19.14316  102.5597       31.13716  76.70334 12.71850 84.79227 18.57204 
-8.088928      22.50957 
1 1 1 -5  48 13 o 38.84824 13.47639 19.23719       13.00315  16.13266       
14.44004  32.54898       29.90121  36.63847 13.96557 45.83355 19.16712 
-9.195080      23.71530 
1 1 1 -5  48 14 o 41.58098 14.14511 24.13319       14.30424  24.13319       
14.30424  0.000000       0.000000  41.58098 14.14511 ?        ?        
0.000000       14.14511 
1 1 1 -5  48 15 o 23.56615 11.09215 -6.609875      13.68301  1.321390       
21.25087  -12.22663      17.88332  30.56693 14.20119 25.02694 12.02904 
5.539991       18.61106 
1 1 1 -5  49 1  o 47.41244 15.67578 27.22697       17.57920  25.07906       
24.24676  29.60711       25.52386  46.88693 18.04289 49.45380 18.63445 
-2.566868      25.93817 
1 1 1 -5  49 2  o 75.24162 13.55323 66.41667       19.97458  51.34642       
28.88950  80.21951       27.64802  61.30319 20.08723 79.40973 17.58524 
-18.10654      26.69714 
1 1 1 -5  49 3  o 105.0358 4.559370 113.8534       9.738539  117.1974       
10.47462  92.53796       26.44558  106.4684 4.838002 87.49942 15.42639 
18.96897       16.16724 
1 1 1 -5  49 4  o 20.67626 9.258828 -2.586269      8.021083  -2.202929      
8.561698  -5.337359      22.93613  21.63254 9.635003 33.61931 15.29700 
-11.98677      18.07848 
1 1 1 -5  49 5  o 68.49130 7.231355 50.01596       9.919514  45.37981       
10.86716  73.17435       24.28798  64.65788 8.468581 76.94926 16.04142 
-12.29139      18.13957 
1 1 1 -5  49 6  o 79.39621 8.188458 67.95724       13.03090  72.63651       
14.93330  53.02165       26.67951  81.54206 9.164558 62.51534 19.16714 
19.02672       21.24543 
1 1 1 -5  49 7  o 46.14992 11.50803 24.78381       10.76305  28.04552       
12.17126  13.08447       23.05121  48.77842 12.27895 40.29844 16.83871 
8.479980       20.84022 
1 1 1 -5  49 8  o 29.43473 11.93639 6.041367       11.13508  2.980176       
12.57126  17.18961       23.99035  28.72354 12.23919 42.15168 17.35619 
-13.42814      21.23759 
1 1 1 -5  49 9  o 29.51426 12.07487 5.951885       11.51911  0.2360468      
12.97075  27.28592       25.05889  27.45776 12.06022 46.63993 18.23148 
-19.18217      21.85945 
1 1 1 -5  49 10 o 103.1307 6.626127 113.4340       13.82274  110.4377       
15.49544  125.1081       30.58585  101.0202 7.598662 98.62793 15.78211 
2.392311       17.51613 
1 1 1 -5  49 11 o 26.31218 11.54286 0.8899038      11.84968  -0.2020134     
13.31708  5.041614       25.96735  27.04158 12.03233 36.45563 16.46305 
-9.414047      20.39139 
1 1 1 -5  49 12 o 50.73108 14.14334 34.66697       15.13840  39.58192       
17.73941  21.49549       29.04000  52.90803 15.49441 41.42755 18.12446 
11.48048       23.84476 
1 1 1 -5  49 13 o 20.63993 9.934130 -12.81359      12.29731  -15.31247      
13.82675  -3.355707      26.89952  21.40623 10.35961 32.46907 15.36456 
-11.06284      18.53082 
1 1 1 -5  49 14 o 22.20472 10.59538 -9.761559      13.33696  -9.761559      
13.33696  0.000000       0.000000  22.20472 10.59538 ?        ?        
0.000000       10.59538 
1 1 1 -5  50 1  o 76.14524 13.39925 69.13231       19.99030  62.66121       
30.42083  74.05025       26.52001  65.53767 20.52915 74.81404 17.70694 
-9.276375      27.11054 
1 1 1 -5  50 2  o 125.2536 8.694121 170.3499       22.00743  190.6193       
33.00731  154.1275       29.52881  127.8868 12.86675 114.9393 12.85365 
12.94751       18.18707 
1 1 1 -5  50 3  o 95.67405 4.880301 95.16934       9.463372  93.15278       
10.16373  108.3073       25.94251  94.46027 5.312751 95.34693 13.77970 
-0.8866577     14.76839 
1 1 1 -5  50 4  o 75.78310 6.230784 60.68531       9.517060  64.29037       
10.30257  39.71191       24.84986  77.85389 6.568843 54.05381 18.63680 
23.80008       19.76057 
1 1 1 -5  50 5  o 36.79689 11.44036 15.57506       9.467233  9.243209       
10.45559  44.39619       22.30688  31.30570 11.89536 57.53187 17.50427 
-26.22616      21.16362 
1 1 1 -5  50 6  o 51.18771 11.99400 31.07196       12.26652  22.06967       
14.49045  53.83532       23.04219  42.66603 14.23819 63.30215 17.37338 
-20.63612      22.46243 
1 1 1 -5  50 7  o 67.90287 8.379150 50.61154       11.32475  60.77098       
12.85460  15.38811       23.93533  74.29158 8.671978 40.69749 17.09206 
33.59409       19.16616 
1 1 1 -5  50 8  o 68.20611 8.961384 51.84068       12.12854  51.96628       
13.80712  51.41628       25.38002  67.29897 10.42610 59.31391 18.77479 
7.985062       21.47548 
1 1 1 -5  50 9  o 20.54301 9.759979 -10.67907      11.06854  -11.84914      
12.55578  -6.599142      23.44569  21.79558 10.36671 31.96803 14.87354 
-10.17245      18.12984 
1 1 1 -5  50 10 o 43.64128 12.95866 24.32594       12.33563  28.37087       
14.22393  12.05322       24.77619  46.42603 13.94478 37.89660 16.65620 
8.529434       21.72293 
1 1 1 -5  50 11 o 83.93877 7.942814 78.70322       13.39657  72.86824       
15.04019  101.1082       29.47174  79.24497 9.523945 81.37964 18.25813 
-2.134666      20.59283 
1 1 1 -5  50 12 o 35.61972 13.70339 16.52559       13.98320  29.64978       
16.18929  -22.02669      27.74704  44.58601 15.04889 28.89694 14.13763 
15.68906       20.64804 
1 1 1 -5  50 13 o 26.11067 11.66628 2.126655       12.65898  1.135656       
13.71365  7.836159       32.91666  26.35728 11.92770 34.91465 16.65609 
-8.557362      20.48647 
1 1 1 -5  50 14 o 59.07691 11.56314 46.58593       13.39406  45.78418       
14.67974  50.57097       32.72757  56.64281 13.01748 43.86287 19.21404 
12.77993       23.20849 
1 1 1 -5  51 1  o 76.07570 13.15749 70.29011       19.61835  63.21997       
29.01990  76.24091       26.62378  64.44203 20.02886 74.22913 17.85561 
-9.787102      26.83240 
1 1 1 -5  51 2  o 85.48373 11.99806 86.01197       20.28236  126.5030       
32.73868  60.79121       25.83811  97.63915 17.11247 65.13908 18.59000 
32.50007       25.26707 
1 1 1 -5  51 3  o 84.54748 5.467307 75.15875       9.349618  76.85145       
10.09091  64.89113       24.85281  85.29400 5.853241 68.52039 17.70831 
16.77361       18.65059 
1 1 1 -5  51 4  o 39.01688 13.34943 18.19426       12.74096  17.69444       
15.19129  19.37973       23.39544  39.00528 14.43877 41.91210 17.18474 
-2.906822      22.44534 
1 1 1 -5  51 5  o 41.40434 15.61930 20.80653       17.94469  0.7824433      
28.11189  34.57645       23.31199  36.75556 16.80562 49.62061 17.96270 
-12.86506      24.59852 
1 1 1 -5  51 6  o 51.15240 15.91303 35.42996       18.31371  8.333872       
29.52799  52.36872       23.34648  39.23050 17.65058 60.41978 17.79840 
-21.18927      25.06643 
1 1 1 -5  51 7  o 54.58949 15.94767 40.94883       18.81297  55.76202       
32.08809  33.18997       23.22301  57.25521 21.02098 47.99076 17.83489 
9.264450       27.56746 
1 1 1 -5  51 8  o 38.34203 15.55570 16.87285       18.92093  25.61430       
30.08714  11.15419       24.33529  43.86071 18.81781 37.46058 16.48494 
6.400135       25.01726 
1 1 1 -5  51 9  f 72.43083 14.66751 70.15888       20.86304  47.73726       
31.10238  88.50042       28.13054  51.34529 20.23817 76.22194 18.36567 
-24.87664      27.32913 
1 1 1 -5  51 10 o 25.50858 12.38089 -19.17643      20.12162  -27.10775      
31.25661  -13.56333      26.29482  30.05302 14.76499 30.18308 14.52709 
-0.1300583     20.71331 
1 1 1 -5  51 11 o 27.95422 13.27767 -7.408604      20.45970  -20.38714      
30.00507  3.869693       27.97071  29.76874 14.59307 33.76049 15.88084 
-3.991751      21.56754 
1 1 1 -5  51 12 o 29.08158 13.65748 -0.6908313     20.54402  -3.919069      
31.27146  1.760380       27.24933  31.92397 15.48085 31.97251 15.22543 
-0.4853821E-01 21.71337 
1 1 1 -5  51 13 o 25.28770 12.26317 -11.45146      19.62760  -11.45146      
19.62760  0.000000       0.000000  25.28770 12.26317 ?        ?        
0.000000       12.26317 
1 1 1 -5  52 1  o 49.96746 16.30307 35.56131       19.03754  41.90281       
28.37809  30.37189       25.67125  50.74381 19.52170 45.64939 18.25939 
5.094421       26.73017 
1 1 1 -5  52 2  o 80.43517 12.35623 78.93714       19.56437  73.52795       
30.32857  82.79231       25.60396  66.93150 20.42065 77.15250 16.79594 
-10.22100      26.44062 
1 1 1 -5  52 3  o 20.14983 9.040037 -1.934257      7.684663  -3.000789      
8.174523  6.172933       22.53776  20.18767 9.164938 35.10698 15.63474 
-14.91931      18.12295 
1 1 1 -5  52 4  o 69.39433 7.060128 52.43191       9.824190  50.30435       
10.68439  64.07150       24.99068  67.37791 7.951142 65.50219 18.14021 
1.875725       19.80626 
1 1 1 -5  52 5  o 59.46498 8.904334 40.19292       10.43620  47.62895       
11.55245  7.196259       24.33540  64.71882 9.023392 35.95203 16.11128 
28.76679       18.46605 
1 1 1 -5  52 6  o 23.23626 10.76869 -5.755009      12.10629  -6.690183      
14.28229  -3.368092      22.81763  24.90355 11.59402 31.72351 14.73083 
-6.819954      18.74617 
1 1 1 -5  52 7  o 34.02484 12.34151 13.88182       11.01248  1.741266       
12.41408  58.72276       23.85792  26.73423 11.76916 61.17776 17.98395 
-34.44353      21.49269 
1 1 1 -5  52 8  o 81.04569 7.848502 73.68148       12.77300  66.27828       
14.41287  100.7743       27.57196  75.10063 9.661522 82.37749 17.02211 
-7.276855      19.57287 
1 1 1 -5  52 9  o 31.52993 12.48724 11.34450       11.89356  10.25434       
13.34316  15.55981       26.23788  31.30996 12.92383 36.86531 16.60745 
-5.555351      21.04359 
1 1 1 -5  52 10 o 33.10496 12.61307 14.26991       11.77528  14.12184       
13.18542  14.85323       26.17018  33.13636 13.14018 35.54662 16.23806 
-2.410267      20.88873 
1 1 1 -5  52 11 o 78.80320 8.354959 73.25121       13.18452  79.18217       
14.66858  48.30939       30.08080  81.00181 9.060356 44.49730 18.94580 
36.50451       21.00079 
1 1 1 -5  52 12 o 37.53686 13.60853 22.56630       13.38725  14.52915       
14.99657  54.09985       29.70484  32.05346 13.49895 44.67063 18.91536 
-12.61718      23.23816 
1 1 1 -5  53 1  f 67.17364 13.97138 60.61882       18.46303  59.05358       
27.64758  61.87869       24.80452  57.04835 19.65859 61.22586 18.42038 
-4.177509      26.94012 
1 1 1 -5  53 2  o 35.19384 14.79766 13.39252       17.97411  7.162694       
26.91085  18.41005       24.15098  35.63043 16.34680 38.69605 16.73225 
-3.065620      23.39201 
1 1 1 -5  53 3  o 35.10045 10.64713 15.12616       8.262205  18.32839       
8.827361  -7.507001      23.46806  38.43535 10.83013 30.33602 14.35394 
8.099329       17.98131 
1 1 1 -5  53 4  f 21.13684 9.585403 -2.346831      8.910683  -4.752791      
9.679447  11.02019       22.81517  20.85305 9.651785 35.53404 15.78301 
-14.68098      18.50028 
1 1 1 -5  53 5  o 74.76583 7.452682 62.30481       11.17997  75.33252       
12.22383  -4.348835      27.64936  82.32912 7.379663 32.65417 15.48829 
49.67495       17.15653 
1 1 1 -5  53 6  o 63.60518 10.68770 49.59363       13.33354  50.45002       
15.34259  46.95090       26.95187  62.18403 12.56536 49.86692 19.06249 
12.31711       22.83127 
1 1 1 -5  53 7  o 49.93868 11.49792 32.16644       11.43489  24.44917       
12.85946  61.32296       24.99532  41.64636 13.38349 58.29564 18.65109 
-16.64928      22.95606 
1 1 1 -5  53 8  o 36.62377 12.63329 18.57910       11.41930  15.53107       
12.93894  29.31680       24.28537  34.04785 13.15839 40.54136 17.13140 
-6.493507      21.60157 
1 1 1 -5  53 9  o 68.87651 9.183884 57.44498       12.54268  60.38934       
14.03357  45.75451       27.96331  69.32700 10.26460 44.79496 18.61727 
24.53204       21.25946 
1 1 1 -5  53 10 o 21.08324 9.957498 -5.692798      11.20008  -11.52647      
12.35372  21.23809       26.54313  20.23422 9.792371 35.24718 16.19447 
-15.01296      18.92489 
1 1 1 -5  53 11 o 26.82029 11.64866 6.951667       11.80945  0.3306585      
13.12499  35.10186       27.06310  24.43392 11.28449 37.99689 17.01158 
-13.56297      20.41405 
1 1 1 -5  54 1  o 26.83288 12.50193 -2.522600      16.65820  2.673363       
24.96917  -6.690250      22.36231  31.93349 15.01600 28.64534 13.68280 
3.288151       20.31500 
1 1 1 -5  54 2  o 53.66217 15.93265 46.01051       18.64803  60.03487       
27.71131  34.40333       25.21034  53.81560 19.56859 42.81034 17.72516 
11.00526       26.40286 
1 1 1 -5  54 3  o 27.16360 10.45186 7.986117       8.135623  10.06055       
8.617627  -9.017074      24.67195  29.21666 10.86309 29.27434 14.08517 
-0.5768204E-01 17.78760 
1 1 1 -5  54 4  o 33.74738 11.38003 14.84653       9.257676  16.07422       
9.985591  7.334878       24.69995  34.77683 11.81851 33.13577 15.36544 
1.641064       19.38489 
1 1 1 -5  54 5  o 63.63022 8.473387 47.55067       10.69151  43.17868       
11.69665  69.75891       26.36204  59.01151 10.11081 59.78959 19.15686 
-0.7780838     21.66134 
1 1 1 -5  54 6  o 41.20798 17.19518 32.93199       23.99087  0.000000       
0.000000  32.93199       23.99087  ?        ?        41.20798 17.19518 
0.000000       17.19518 
1 1 1 -5  54 7  o 25.03886 11.57038 -0.9626717     13.82714  13.53325       
17.05116  -28.80194      23.62980  32.44552 14.04437 24.42509 12.14880 
8.020428       18.56981 
1 1 1 -5  54 8  o 20.10201 9.608482 -8.022483      11.06639  0.6288510      
12.11794  -51.48041      27.15951  24.26697 11.07147 23.06569 11.67544 
1.201286       16.09016 
1 1 1 -5  54 9  o 58.02958 10.91934 45.39455       12.41250  53.36531       
13.77466  10.96750       28.62734  62.56200 11.24044 31.79203 15.26440 
30.76997       18.95651 
1 1 1 -5  54 10 o 25.96707 11.35718 6.462469       11.39524  5.808414       
12.61872  9.353167       26.52830  26.12089 11.66095 30.34740 14.60247 
-4.226517      18.68716 
1 1 1 -5  55 1  f 25.67462 12.15950 -3.214361      16.91631  -19.89955      
27.06254  7.485879       21.67204  26.72964 13.24455 30.51513 14.23168 
-3.785488      19.44116 
1 1 1 -5  55 2  o 33.61110 14.46542 17.14442       17.88014  50.18841       
27.07057  -8.427433      23.81399  45.14785 18.49534 27.57430 13.40319 
17.57355       22.84126 
1 1 1 -5  55 3  o 61.30434 7.214893 43.35632       8.822267  39.96566       
9.401857  68.34112       25.52170  57.86163 8.221708 56.08463 18.89511 
1.777000       20.60635 
1 1 1 -5  55 4  f 22.11529 9.889327 0.8874858      9.116515  4.855540       
9.937946  -20.18264      22.90031  25.02440 10.77708 25.01283 12.35536 
0.1157379E-01  16.39513 
1 1 1 -5  55 5  o 79.14178 7.062256 72.03404       11.24640  71.05483       
12.28266  77.11366       27.97501  77.49676 7.904609 56.48834 19.75701 
21.00842       21.27962 
1 1 1 -5  55 6  o 24.05688 11.03888 0.6280023      12.27905  4.862381       
14.61150  -9.551031      22.65443  26.99293 12.25392 26.35954 12.87022 
0.6333828      17.77079 
1 1 1 -5  55 7  o 23.57717 11.08317 -2.140419      13.58465  15.81044       
16.55393  -39.15796      23.77181  31.75544 13.79181 22.21366 11.20550 
9.541777       17.77012 
1 1 1 -5  55 8  o 43.64923 12.55334 29.86022       11.73893  17.79852       
12.89051  88.46294       28.41351  32.76609 12.99270 57.15850 19.91576 
-24.39241      23.77915 
1 1 1 -5  55 9  o 23.54346 10.75543 2.413742       11.48318  1.407766       
12.64534  7.144343       27.42174  23.73409 11.00167 29.01806 14.16639 
-5.283972      17.93665 
1 1 1 -5  56 1  o 24.59869 11.74301 -2.104759      16.42127  -15.49561      
26.78906  5.955473       20.78391  25.77306 12.83815 28.12555 13.36586 
-2.352486      18.53279 
1 1 1 -5  56 2  o 28.91750 13.20925 10.25930       17.31556  1.542989       
28.46116  15.38151       21.81800  28.79635 14.13576 30.98538 14.39355 
-2.189024      20.17409 
1 1 1 -5  56 3  o 33.53398 10.52563 15.99329       7.992409  17.30557       
8.510175  6.182680       23.26876  34.55019 10.86392 28.81557 13.81578 
5.734619       17.57556 
1 1 1 -5  56 4  o 47.84819 10.17283 31.04161       9.593495  24.37810       
10.48889  65.14727       23.72965  39.74965 11.98273 51.34872 18.17628 
-11.59908      21.77069 
1 1 1 -5  56 5  o 25.44337 10.89102 7.093687       10.03658  12.06510       
11.13002  -14.54385      23.21986  28.84647 11.84319 24.64785 12.22283 
4.198622       17.01936 
1 1 1 -5  56 6  o 32.42957 12.86154 18.20534       12.63361  16.96393       
14.61201  21.88119       25.14387  31.17154 13.23662 31.83738 15.00077 
-0.6658440     20.00578 
1 1 1 -5  56 7  o 28.45126 12.45619 12.26944       13.73786  4.377043       
16.58652  29.51251       24.51648  25.91548 12.20234 33.35086 15.40971 
-7.435377      19.65595 
1 1 1 -5  57 1  o 21.01914 10.39082 -12.92531      16.30758  9.852758       
25.08568  -29.59644      21.46101  27.66689 13.51608 20.93231 10.56978 
6.734589       17.15823 
1 1 1 -5  57 2  o 27.64052 12.78685 11.52704       16.95709  4.570803       
26.97963  16.06930       21.80140  27.11628 13.39745 29.05145 13.77184 
-1.935171      19.21341 
1 1 1 -5  57 3  o 47.19963 8.743322 29.26445       8.082971  27.71197       
8.599840  41.02748       23.67209  44.63451 9.747786 36.06043 16.04391 
8.574078       18.77302 
1 1 1 -5  57 4  o 25.70543 10.56798 9.143370       8.877237  8.713844       
9.686730  11.39585       22.18263  25.50056 10.80001 27.87153 13.39650 
-2.370974      17.20774 
1 1 1 -5  57 5  o 36.04665 11.96019 22.18661       10.23002  29.07977       
11.16499  -13.87630      25.53757  41.31454 12.34231 24.10624 12.08648 
17.20831       17.27471 
1 1 1 -4  0  1  o 135.4421 4.123603 187.0646       11.33365  187.0646       
11.33365  187.0646       11.33365  135.4421 4.123603 135.4421 4.123603 
0.000000       0.000000 
1 1 1 -4  0  2  o 996.2666 11.82444 10106.97       239.4803  10106.97       
239.4803  10106.97       239.4803  996.2666 11.82444 996.2666 11.82444 
0.000000       0.000000 
1 1 1 -4  0  3  o 572.0995 7.343626 3330.936       85.40284  3330.936       
85.40284  3330.936       85.40284  572.0995 7.343626 572.0995 7.343626 
0.000000       0.000000 
1 1 1 -4  0  4  o 590.2663 7.554312 3546.115       90.64295  3546.115       
90.64295  3546.115       90.64295  590.2663 7.554312 590.2663 7.554312 
-0.000000      0.000000 
1 1 1 -4  0  5  o 66.66222 6.552243 46.50110       8.685264  46.50110       
8.685264  46.50110       8.685264  66.66222 6.552243 66.66222 6.552243 
-0.000000      0.000000 
1 1 1 -4  0  6  o 95.49096 8.145857 94.81312       15.55314  94.81312       
15.55314  94.81312       15.55314  95.49096 8.145857 95.49096 8.145857 
-0.000000      0.000000 
1 1 1 -4  0  7  o 218.6662 4.915172 487.1209       21.83113  487.1209       
21.83113  487.1209       21.83113  218.6662 4.915172 218.6662 4.915172 
-0.000000      0.000000 
1 1 1 -4  0  8  o 505.6196 9.819983 2606.894       100.8826  2606.894       
100.8826  2606.894       100.8826  505.6196 9.819983 505.6196 9.819983 
-0.000000      0.000000 
1 1 1 -4  0  9  o 509.0896 7.039216 2638.667       72.84216  2638.667       
72.84216  2638.667       72.84216  509.0896 7.039216 509.0896 7.039216 
-0.000000      0.000000 
1 1 1 -4  0  10 o 625.0337 8.162356 3977.447       103.7059  3977.447       
103.7059  3977.447       103.7059  625.0337 8.162356 625.0337 8.162356 
-0.000000      0.000000 
1 1 1 -4  0  11 o 209.1122 5.746919 445.7662       24.39627  445.7662       
24.39627  445.7662       24.39627  209.1122 5.746919 209.1122 5.746919 
-0.000000      0.000000 
1 1 1 -4  0  12 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -4  0  13 o 453.7992 9.872149 2099.344       91.00446  2099.344       
91.00446  2099.344       91.00446  453.7992 9.872149 453.7992 9.872149 
-0.000000      0.000000 
1 1 1 -4  0  14 o 217.1782 6.674134 481.2859       29.41257  481.2859       
29.41257  481.2859       29.41257  217.1782 6.674134 217.1782 6.674134 
0.000000       0.000000 
1 1 1 -4  0  15 o 482.8683 7.336248 2375.467       71.99927  2375.467       
71.99927  2375.467       71.99927  482.8683 7.336248 482.8683 7.336248 
0.000000       0.000000 
1 1 1 -4  0  16 o 37.58432 19.66468 21.15564       19.74933  21.15564       
19.74933  21.15564       19.74933  37.58432 19.66468 37.58432 19.66468 
0.000000       0.000000 
1 1 1 -4  0  17 o 139.6361 8.448126 201.1157       23.78774  201.1157       
23.78774  201.1157       23.78774  139.6361 8.448126 139.6361 8.448126 
0.000000       0.000000 
1 1 1 -4  0  18 o 392.4033 6.865376 1571.889       54.74551  1571.889       
54.74551  1571.889       54.74551  392.4033 6.865376 392.4033 6.865376 
-0.000000      0.000000 
1 1 1 -4  0  19 o 44.34644 23.71867 30.26126       29.24413  30.26126       
29.24413  30.26126       29.24413  44.34644 23.71867 44.34644 23.71867 
-0.000000      0.000000 
1 1 1 -4  0  20 o 299.2364 6.933825 916.4208       42.14168  916.4208       
42.14168  916.4208       42.14168  299.2364 6.933825 299.2364 6.933825 
-0.000000      0.000000 
1 1 1 -4  0  21 o 62.18146 20.27334 51.66584       22.69670  51.66584       
22.69670  51.66584       22.69670  62.18146 20.27334 62.18146 20.27334 
0.000000       0.000000 
1 1 1 -4  0  22 o 38.54242 21.45597 22.79420       24.93903  22.79420       
24.93903  22.79420       24.93903  38.54242 21.45597 38.54242 21.45597 
-0.000000      0.000000 
1 1 1 -4  0  23 o 44.93028 22.92127 33.64276       26.38255  33.64276       
26.38255  33.64276       26.38255  44.93028 22.92127 44.93028 22.92127 
-0.000000      0.000000 
1 1 1 -4  0  24 o 154.1106 10.51845 253.2349       32.61115  253.2349       
32.61115  253.2349       32.61115  154.1106 10.51845 154.1106 10.51845 
-0.000000      0.000000 
1 1 1 -4  0  25 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -4  1  1  o 305.9243 3.470114 951.7708       21.58784  854.3542       
28.67798  1079.157       32.79396  289.8188 4.865983 325.7220 4.951027 
-35.90317      6.941935 
1 1 1 -4  1  2  o 1013.981 8.493382 10465.59       175.1306  10461.57       
247.5571  10469.62       247.7872  1013.224 12.01486 1013.612 12.02142 
-0.3881226     16.99622 
1 1 1 -4  1  3  o 332.1702 3.630533 1122.109       24.52350  1121.718       
34.63425  1122.502       34.72888  332.0774 5.128791 332.1930 5.141014 
-0.1156311     7.261854 
1 1 1 -4  1  4  o 218.0305 3.161326 483.4294       14.01645  468.5026       
19.55940  499.1865       20.09599  214.6188 4.481634 221.5358 4.460814 
-6.916992      6.323283 
1 1 1 -4  1  5  o 235.4038 3.294846 563.5782       15.77248  554.3979       
22.15187  573.0180       22.46268  233.4500 4.666218 237.3383 4.654172 
-3.888260      6.590517 
1 1 1 -4  1  6  o 72.78495 5.438987 54.21196       7.992108  46.48055       
9.749247  70.05318       13.95520  67.17117 7.252425 82.49093 8.437911 
-15.31976      11.12637 
1 1 1 -4  1  7  o 245.7517 3.525137 614.3312       17.61668  571.5115       
24.16643  662.8897       25.73496  236.9799 5.014753 255.2254 4.958475 
-18.24551      7.052250 
1 1 1 -4  1  8  o 199.7476 5.095440 406.0312       20.69735  373.1877       
28.60020  442.1447       29.99020  191.4095 7.347746 208.3579 7.078120 
-16.94844      10.20241 
1 1 1 -4  1  9  o 357.2332 4.104870 1298.139       29.81966  1263.168       
41.44840  1335.660       42.93352  352.3102 5.785370 362.2761 5.827810 
-9.965942      8.211813 
1 1 1 -4  1  10 o 759.5103 6.718531 5870.829       103.7670  5981.140       
149.1636  5767.383       144.4475  766.2395 9.572975 752.4426 9.440285 
13.79688       13.44473 
1 1 1 -4  1  11 o 228.1754 4.007952 529.5124       18.59700  537.9162       
26.40186  521.2368       26.19956  229.9485 5.646151 226.3544 5.691852 
3.594101       8.017243 
1 1 1 -4  1  12 o 302.5818 4.198826 931.1716       25.83582  919.2110       
36.24528  943.5256       36.83662  300.5901 5.929600 304.5392 5.948194 
-3.949097      8.398879 
1 1 1 -4  1  13 o 447.1032 6.917603 2034.347       62.89482  2016.911       
88.41405  2052.209       89.48913  444.9855 9.770661 448.8598 9.804110 
-3.874268      13.84147 
1 1 1 -4  1  14 o 276.1186 4.515309 775.5812       25.35330  760.5370       
35.54073  791.1696       36.17773  273.3597 6.393526 278.8111 6.380869 
-5.451355      9.032866 
1 1 1 -4  1  15 o 341.1231 4.623738 1184.007       32.07420  1200.201       
45.63573  1168.200       45.08874  343.3253 6.536539 338.7167 6.546061 
4.608551       9.250797 
1 1 1 -4  1  16 f 298.2374 4.649848 905.2773       28.20021  870.6973       
39.17346  942.4742       40.62857  292.3380 6.589542 304.1509 6.568876 
-11.81293      9.304419 
1 1 1 -4  1  17 o 209.2212 4.944913 445.7361       21.03855  455.5721       
29.86242  436.0429       29.64478  211.3644 6.947712 206.7754 7.050143 
4.588943       9.898243 
1 1 1 -4  1  18 o 235.7441 4.822367 566.0527       23.11813  566.6761       
32.81857  565.4386       32.57077  235.6664 6.848109 235.4142 6.803681 
0.2521667      9.653325 
1 1 1 -4  1  19 o 183.1809 7.587127 342.8925       28.26240  307.2416       
39.73661  379.3901       40.20567  172.4940 11.39247 192.0031 10.33546 
-19.50908      15.38214 
1 1 1 -4  1  20 o 103.7563 7.901925 110.7834       16.54708  108.3807       
23.43813  113.1711       23.36426  101.9354 11.50846 104.2595 11.19538 
-2.324104      16.05557 
1 1 1 -4  1  21 o 135.6023 7.093460 188.5572       19.49238  225.5900       
28.36867  155.4363       26.82854  147.8904 9.482924 122.3389 10.89816 
25.55156       14.44630 
1 1 1 -4  1  22 o 143.1941 6.949561 209.7828       20.23643  230.6812       
29.24330  190.5793       28.03237  149.4230 9.676001 135.6228 10.23975 
13.80026       14.08820 
1 1 1 -4  1  23 f 203.3630 5.856377 422.8496       24.21879  448.1678       
34.63411  398.6227       33.87944  208.8182 8.156132 196.8568 8.463194 
11.96136       11.75364 
1 1 1 -4  1  24 o 29.10083 13.54238 -16.06321      19.45310  -18.60326      
26.58510  -13.13575      28.54055  34.62982 16.01681 37.67749 17.11274 
-3.047668      23.43894 
1 1 1 -4  1  25 o 35.06589 15.01277 1.769180       19.07736  30.58330       
28.24339  -22.40819      25.87133  54.19449 19.74806 32.60732 15.31744 
21.58717       24.99219 
1 1 1 -4  2  1  o 371.1385 3.837102 1400.870       28.95948  1394.421       
40.81333  1407.409       41.09793  370.2388 5.420865 371.9587 5.433427 
-1.719879      7.675148 
1 1 1 -4  2  2  o 42.32307 4.768474 18.45065       4.032494  9.603949       
5.541481  28.40816       5.879098  30.33642 8.592379 52.54877 5.587411 
-22.21236      10.24930 
1 1 1 -4  2  3  o 114.5828 3.047742 133.5139       7.101482  132.1577       
9.990950  134.8987       10.09590  113.9906 4.310089 115.1667 4.310886 
-1.176064      6.095950 
1 1 1 -4  2  4  o 168.9863 3.085974 290.4023       10.60462  310.3062       
15.24611  271.7471       14.76009  174.6672 4.292360 163.4532 4.440627 
11.21400       6.176044 
1 1 1 -4  2  5  o 214.0400 3.227296 465.9245       14.04705  476.0868       
20.03320  456.0956       19.70200  216.3359 4.553761 211.7447 4.575583 
4.591263       6.455440 
1 1 1 -4  2  6  o 327.4335 4.330451 1090.713       28.83419  1124.999       
35.88304  1028.224       48.44264  332.4935 5.307068 317.7384 7.497331 
14.75510       9.185583 
1 1 1 -4  2  7  o 242.7509 3.518146 599.4202       17.36705  619.8575       
24.88180  580.0048       24.25177  246.8018 4.957720 238.7346 4.995473 
8.067215       7.038022 
1 1 1 -4  2  8  o 388.1689 5.923228 1533.786       46.75528  1516.116       
65.51387  1552.128       66.74728  385.7064 8.352664 390.2540 8.410752 
-4.547607      11.85360 
1 1 1 -4  2  9  o 687.0488 6.176401 4804.382       86.29279  4949.624       
125.0679  4672.416       119.2152  696.9885 8.824067 677.2159 8.656715 
19.77258       12.36135 
1 1 1 -4  2  10 o 650.1425 5.944019 4300.893       78.58510  4381.524       
112.8076  4224.871       109.5368  655.9610 8.456853 644.1385 8.362371 
11.82245       11.89318 
1 1 1 -4  2  11 o 339.0673 4.185013 1169.285       28.85587  1202.497       
41.32510  1137.684       40.31052  343.7989 5.910961 334.4049 5.927812 
9.393982       8.371285 
1 1 1 -4  2  12 o 477.3157 4.956904 2317.418       48.11358  2350.821       
68.76202  2285.377       67.34585  480.6472 7.035107 473.9122 6.988139 
6.735046       9.915988 
1 1 1 -4  2  13 o 508.8756 7.394267 2635.670       76.51705  2657.209       
108.9612  2614.714       107.4770  510.6849 10.49222 506.5909 10.43294 
4.094025       14.79638 
1 1 1 -4  2  14 o 295.4157 4.514585 887.7792       27.12082  858.5353       
37.90957  918.4379       38.81576  290.4355 6.418709 300.4000 6.354139 
-9.964478      9.031882 
1 1 1 -4  2  15 o 139.4676 5.915110 198.0074       16.77597  185.4909       
23.70992  210.5553       23.73972  134.6160 8.707929 143.5109 8.168441 
-8.894897      11.93949 
1 1 1 -4  2  16 o 175.9051 5.153927 315.0055       18.43607  330.3206       
25.99774  299.5128       26.14797  180.0301 7.101320 171.4059 7.501720 
8.624222       10.32979 
1 1 1 -4  2  17 o 310.2945 4.642138 980.2606       29.29163  940.6241       
40.18216  1025.209       42.78996  303.7639 6.504975 317.1112 6.635579 
-13.34726      9.292233 
1 1 1 -4  2  18 o 128.1646 6.405713 167.5299       16.69501  142.7547       
23.52347  192.6743       23.69813  117.6474 9.925257 137.0208 8.547673 
-19.37340      13.09860 
1 1 1 -4  2  19 o 80.12689 14.57434 68.45083       22.87271  48.89208       
31.75624  89.53557       32.97180  67.90773 20.92654 90.96001 18.45632 
-23.05228      27.90261 
1 1 1 -4  2  20 o 240.7960 5.063357 591.1006       24.79359  579.2262       
34.62578  603.5949       35.51810  238.0543 7.152735 243.0042 7.187611 
-4.949844      10.14019 
1 1 1 -4  2  21 o 313.0713 5.140476 999.6295       32.72638  1005.562       
46.50512  993.8095       46.06225  313.5129 7.294472 311.6826 7.267437 
1.830383       10.29684 
1 1 1 -4  2  22 o 211.1225 5.713119 455.1172       24.52784  459.8270       
34.82540  450.4814       34.55141  211.7650 8.087055 209.5978 8.106394 
2.167252       11.45051 
1 1 1 -4  2  23 o 117.7822 8.576947 143.4792       20.40187  104.8496       
28.16202  186.1447       29.59661  98.95109 14.41943 133.5638 10.99453 
-34.61269      18.13283 
1 1 1 -4  2  24 o 104.6482 9.750479 114.6872       20.51070  124.6652       
28.12796  103.3574       29.97287  107.9406 13.08169 97.08468 15.71928 
10.85592       20.45058 
1 1 1 -4  2  25 o 87.34491 11.43930 82.13498       19.82998  101.2610       
27.66903  61.93639       28.43430  95.52933 14.71559 72.43945 19.04906 
23.08988       24.07104 
1 1 1 -4  3  1  o 1157.958 9.615751 13654.68       226.4266  13740.53       
322.1338  13570.85       318.3311  1160.679 13.64812 1153.510 13.57082 
7.168213       19.24678 
1 1 1 -4  3  2  o 575.5515 5.204848 3369.630       60.91772  3433.262       
87.47017  3309.698       84.88914  580.8286 7.405605 570.2866 7.319941 
10.54199       10.41271 
1 1 1 -4  3  3  o 243.0984 3.189526 600.9804       15.76738  595.1837       
22.14847  606.9369       22.45152  241.9025 4.502481 244.2790 4.519686 
-2.376480      6.379647 
1 1 1 -4  3  4  o 630.8683 5.628899 4049.161       72.21271  4074.381       
102.6382  4024.439       101.6179  632.6345 7.978193 628.7483 7.947707 
3.886230       11.26133 
1 1 1 -4  3  5  o 526.6827 4.921561 2822.085       52.71126  2776.739       
73.57487  2869.905       75.55450  522.2864 6.927385 530.9699 6.997438 
-8.683472      9.846461 
1 1 1 -4  3  6  o 244.0932 3.932764 606.0923       19.52113  583.7416       
23.53952  655.3155       34.93306  239.5213 4.832836 253.6935 6.771358 
-14.17224      8.319110 
1 1 1 -4  3  7  o 88.24331 4.552603 79.44331       8.141617  104.2040       
12.09263  58.91333       11.01118  101.0002 5.913507 75.70513 7.240802 
25.29510       9.348731 
1 1 1 -4  3  8  o 429.0694 6.254501 1874.256       54.57222  1834.320       
75.91903  1916.953       78.49918  424.2094 8.800735 433.6465 8.901799 
-9.437073      12.51779 
1 1 1 -4  3  9  o 481.3259 4.799405 2357.017       46.97622  2296.432       
65.21997  2422.334       67.71930  474.9588 6.752634 487.7985 6.826854 
-12.83963      9.602291 
1 1 1 -4  3  10 o 575.1840 5.437506 3365.890       63.60013  3348.145       
89.46072  3384.024       90.43554  573.4927 7.671019 576.5535 7.713440 
-3.060730      10.87850 
1 1 1 -4  3  11 o 694.9031 6.294815 4913.108       88.95260  4928.065       
126.1177  4898.303       125.4807  695.7294 8.914237 693.6272 8.896093 
2.102173       12.59381 
1 1 1 -4  3  12 o 483.8827 4.991393 2381.643       49.11491  2430.531       
70.43753  2335.379       68.52009  488.7239 7.087435 479.0649 7.033510 
9.659027       9.985088 
1 1 1 -4  3  13 o 104.5670 8.142981 111.9889       17.17875  115.9021       
21.39492  104.8882       28.82024  106.1950 10.02593 100.3348 14.54963 
5.860214       17.66949 
1 1 1 -4  3  14 o 170.2535 5.268539 294.9254       18.24054  331.2891       
26.12321  260.3281       25.48082  180.3931 7.121231 159.8893 7.836868 
20.50385       10.58907 
1 1 1 -4  3  15 o 240.8873 6.734243 590.9133       32.98785  0.000000       
0.000000  590.9133       32.98785  ?        ?        240.8873 6.734243 
0.000000       6.734243 
1 1 1 -4  3  16 o 462.8135 5.107514 2180.572       48.06921  2166.844       
67.66689  2194.557       68.29777  461.0706 7.217012 464.0063 7.238210 
-2.935730      10.22140 
1 1 1 -4  3  17 o 281.9567 4.657695 809.4088       26.70576  818.1830       
37.87580  800.7341       37.66042  283.2928 6.574685 280.2519 6.608230 
3.040894       9.321758 
1 1 1 -4  3  18 o 406.4323 4.947707 1682.678       40.89249  1630.301       
56.56315  1740.028       59.18751  399.6956 6.959095 412.9077 7.048970 
-13.21204      9.905401 
1 1 1 -4  3  19 o 30.66184 14.20244 -17.29691      21.01655  -44.11927      
29.49822  10.35467       29.95071  31.81725 15.33199 47.92202 19.52260 
-16.10477      24.82341 
1 1 1 -4  3  20 o 121.9631 7.181807 152.5695       17.73343  168.1121       
24.69033  136.0086       25.48631  127.6306 9.583028 114.4156 11.09331 
13.21503       14.65933 
1 1 1 -4  3  21 o 39.57808 15.01225 11.91698       16.63435  14.32530       
24.11645  9.731403       22.97414  45.85196 17.89591 42.82183 17.22215 
3.030128       24.83679 
1 1 1 -4  3  22 o 162.2324 6.444473 269.0564       21.26064  260.6801       
29.04273  278.7282       31.20810  159.0301 9.017736 164.3710 9.375494 
-5.340866      13.00844 
1 1 1 -4  3  23 o 197.7631 6.090672 400.0995       24.49412  400.7770       
33.68634  399.3394       35.67935  197.3905 8.392207 196.8917 8.911242 
0.4988251      12.24089 
1 1 1 -4  3  24 o 65.28256 15.25399 47.33747       19.88557  53.34767       
27.73489  40.97919       28.52672  68.46214 19.16392 61.07145 19.95825 
7.390686       27.66925 
1 1 1 -4  3  25 o 51.50939 16.16559 29.57100       18.85303  59.67939       
27.16756  1.603059       26.18406  71.26517 18.56204 40.16296 17.39435 
31.10221       25.43841 
1 1 1 -4  4  1  o 313.2339 3.500562 997.8199       22.29759  969.3806       
30.98125  1028.382       32.11649  308.7051 4.935188 317.9601 4.967113 
-9.254974      7.002020 
1 1 1 -4  4  2  o 326.9961 3.584638 1087.431       23.83632  1041.512       
32.82518  1138.655       34.66971  319.9833 5.044618 334.5717 5.095767 
-14.58838      7.170426 
1 1 1 -4  4  3  o 326.1205 3.600037 1081.626       23.87462  1096.593       
34.02660  1067.113       33.50702  328.3313 5.096298 323.8882 5.087323 
4.443146       7.200910 
1 1 1 -4  4  4  o 218.8663 4.486306 487.2554       19.96730  487.2554       
19.96730  0.000000       0.000000  218.8663 4.486306 ?        ?        
0.000000       4.486306 
1 1 1 -4  4  5  o 167.0426 3.223668 283.7846       10.95037  290.7346       
15.53534  276.9220       15.43746  169.0545 4.519003 164.9883 4.601202 
4.066238       6.449221 
1 1 1 -4  4  6  o 352.5101 4.488384 1264.271       32.17459  1330.146       
40.69075  1154.377       52.55652  361.5175 5.534965 336.6356 7.677417 
24.88190       9.464596 
1 1 1 -4  4  7  o 255.2699 5.017214 663.1474       26.04436  0.000000       
0.000000  663.1474       26.04436  ?        ?        255.2699 5.017214 
0.000000       5.017214 
1 1 1 -4  4  8  o 475.2341 4.716794 2297.984       45.58331  2236.647       
63.17733  2364.588       65.83377  468.6856 6.628699 481.8949 6.718076 
-13.20935      9.437807 
1 1 1 -4  4  9  o 401.1435 4.332833 1636.934       35.34461  1746.119       
52.12775  1544.024       48.08617  414.2017 6.188789 389.5023 6.070979 
24.69934       8.669366 
1 1 1 -4  4  10 o 456.6990 4.708339 2121.667       43.72695  2122.607       
61.69106  2120.718       61.98852  456.6983 6.642650 456.4929 6.677683 
0.2054749      9.418931 
1 1 1 -4  4  11 o 48.68702 10.70720 25.09510       10.31248  30.68293       
14.29436  19.03018       14.89209  53.79145 13.17280 44.09832 14.42074 
9.693134       19.53152 
1 1 1 -4  4  12 o 442.2964 4.770700 1989.800       42.90885  1956.240       
59.75338  2025.531       61.65588  438.4714 6.701465 446.1646 6.795602 
-7.693176      9.544100 
1 1 1 -4  4  13 o 392.2593 5.392910 1565.354       43.01777  1587.780       
53.23475  1523.154       73.02570  395.0024 6.627412 386.7219 9.285933 
8.280548       11.40838 
1 1 1 -4  4  14 o 98.66335 7.599140 99.70728       15.12920  82.38199       
21.48648  116.7435       21.30650  89.02773 12.18837 106.5595 9.947639 
-17.53180      15.73251 
1 1 1 -4  4  15 o 89.18674 8.343777 81.77824       14.95678  77.09465       
20.73776  86.85578       21.59228  86.01183 12.19815 91.44234 11.89332 
-5.430504      17.03661 
1 1 1 -4  4  16 o 135.9334 5.942709 188.1973       16.42715  184.2159       
23.16196  192.2269       23.30166  134.0977 8.538237 137.0093 8.404042 
-2.911560      11.98038 
1 1 1 -4  4  17 o 285.5786 4.610647 830.3295       26.77558  805.6475       
37.41497  856.2397       38.33454  281.1124 6.545065 289.8093 6.504688 
-8.696899      9.227613 
1 1 1 -4  4  18 o 157.1471 5.539362 251.6817       17.70180  257.1408       
25.16414  246.3340       24.90611  158.6599 7.799440 155.0791 7.924167 
3.580811       11.11862 
1 1 1 -4  4  19 o 258.2404 6.948651 680.9820       36.49019  645.0103       
50.61750  719.9042       52.65247  250.7686 9.926044 264.9631 9.771965 
-14.19453      13.92902 
1 1 1 -4  4  20 o 233.9487 5.118995 558.0186       24.35324  601.6251       
35.26342  518.2569       33.67296  242.6037 7.147852 225.1330 7.355135 
17.47066       10.25621 
1 1 1 -4  4  21 o 180.4544 5.891991 332.4510       21.62126  332.3556       
30.32007  332.5498       30.84075  180.0717 8.280058 180.0995 8.420948 
-0.2786255E-01 11.80981 
1 1 1 -4  4  22 o 82.07386 11.19903 70.83698       18.20329  74.62214       
25.66225  67.00358       25.82520  83.06039 15.76996 78.36735 16.71523 
4.693047       22.98022 
1 1 1 -4  4  23 o 247.1266 5.527220 624.1333       27.77650  663.1353       
40.24599  588.6568       38.38395  254.0940 7.788911 239.3701 7.885483 
14.72389       11.08368 
1 1 1 -4  4  24 o 165.2440 7.270215 281.0830       24.43005  257.4808       
33.37135  308.3390       35.86150  156.7784 10.52843 171.7206 10.31749 
-14.94218      14.74104 
1 1 1 -4  4  25 o 83.98008 11.50902 76.13330       19.13763  110.9896       
27.36979  42.78893       26.76960  100.5363 13.74767 60.75100 19.28748 
39.78535       23.68555 
1 1 1 -4  5  1  o 611.3990 5.459357 3802.886       67.87622  3847.277       
96.90935  3760.137       95.09919  614.7830 7.751619 607.7857 7.694402 
6.997253       10.92206 
1 1 1 -4  5  2  o 479.4811 4.539401 2338.438       44.26103  2297.252       
61.70208  2382.095       63.52689  475.1536 6.385786 483.8444 6.456550 
-8.690735      9.081040 
1 1 1 -4  5  3  o 301.3475 3.467062 923.5408       21.24617  908.0823       
29.73634  939.6616       30.36683  298.7809 4.894217 303.9311 4.913295 
-5.150208      6.934971 
1 1 1 -4  5  4  o 501.1119 4.722781 2554.475       48.12646  2553.458       
68.06602  2555.491       68.05617  500.8904 6.682458 501.0901 6.678828 
-0.1996765     9.447857 
1 1 1 -4  5  5  o 237.7379 3.808857 574.8924       18.41384  580.8632       
22.78964  563.6636       31.25262  238.9454 4.690157 235.3162 6.531053 
3.629166       8.040661 
1 1 1 -4  5  6  o 359.9185 3.934152 1317.802       28.79432  1249.843       
39.35052  1396.131       42.24613  350.4290 5.522033 370.3637 5.609279 
-19.93469      7.871268 
1 1 1 -4  5  7  o 338.1700 4.497266 1163.607       30.92681  1117.069       
52.62891  1188.154       38.22263  331.0963 7.816613 341.6570 5.501471 
-10.56067      9.558537 
1 1 1 -4  5  8  o 549.0552 5.189598 3067.763       57.94301  3008.284       
80.69396  3131.075       83.25356  543.4808 7.301387 554.4511 7.383939 
-10.97028      10.38426 
1 1 1 -4  5  9  o 706.4050 6.315276 5078.841       90.71885  5197.335       
130.8042  4969.020       125.9264  714.2280 9.006031 698.3860 8.866861 
15.84204       12.63843 
1 1 1 -4  5  10 o 1039.357 8.819981 11000.81       186.4163  11229.15       
268.6754  10788.85       258.8633  1049.244 12.59215 1028.523 12.37670 
20.72095       17.65630 
1 1 1 -4  5  11 o 216.2718 4.081932 475.7084       17.95217  466.8531       
24.99985  485.1361       25.79523  214.2205 5.738850 218.3735 5.808824 
-4.152939      8.165588 
1 1 1 -4  5  12 o 162.7536 4.753684 269.4294       15.73303  299.3882       
22.39098  240.2140       22.11139  171.5374 6.418933 153.6416 7.077108 
17.89583       9.554483 
1 1 1 -4  5  13 o 210.1573 5.364676 449.3225       22.92659  465.2365       
28.42099  419.6731       38.79343  213.8170 6.536506 202.9854 9.398144 
10.83162       11.44775 
1 1 1 -4  5  14 o 399.8841 4.763633 1626.840       38.73682  1745.586       
57.11593  1525.697       52.71286  414.0963 6.782730 387.1431 6.695664 
26.95316       9.530863 
1 1 1 -4  5  15 o 117.9797 9.320132 142.8441       22.17839  142.8441       
22.17839  0.000000       0.000000  117.9797 9.320132 ?        ?        
0.000000       9.320132 
1 1 1 -4  5  16 o 212.9950 4.805015 461.8002       20.81208  464.1841       
29.79420  459.5285       29.08409  213.4178 6.865147 212.3540 6.735091 
1.063736       9.617260 
1 1 1 -4  5  17 o 515.1166 5.402842 2702.963       56.59517  2729.460       
80.25047  2676.744       79.82652  517.1578 7.630853 512.1308 7.665048 
5.027039       10.81586 
1 1 1 -4  5  18 o 99.95669 7.626794 102.6329       15.38562  91.03537       
21.10503  115.7870       22.47681  93.49522 11.33206 105.7390 10.59574 
-12.24381      15.51404 
1 1 1 -4  5  19 o 192.2353 7.683334 377.7438       30.03545  426.6562       
42.82042  330.3716       42.14083  203.6014 10.37676 178.7968 11.65393 
24.80453       15.60421 
1 1 1 -4  5  20 o 206.4449 5.365314 434.6588       22.52426  437.9977       
32.13831  431.4355       31.57733  206.9144 7.638022 205.3711 7.561093 
1.543274       10.74753 
1 1 1 -4  5  21 o 50.24007 15.25326 26.58809       16.95168  47.76220       
24.83069  8.105376       23.19900  66.16866 17.98340 42.18526 17.18325 
23.98340       24.87301 
1 1 1 -4  5  22 o 204.3961 5.802029 426.6897       24.11592  426.5424       
33.48687  426.8483       34.75881  203.9342 8.074822 203.9393 8.381321 
-0.5111694E-02 11.63827 
1 1 1 -4  5  23 o 94.75257 10.21443 93.92035       19.37027  97.30563       
26.78032  90.20612       28.05125  95.25266 14.26464 91.16138 15.69823 
4.091270       21.21118 
1 1 1 -4  5  24 o 68.30901 16.58925 52.41843       22.81430  39.14912       
26.75373  87.78782       43.67913  59.64550 19.31845 85.63622 24.07728 
-25.99073      30.86937 
1 1 1 -4  5  25 f 93.20967 10.37619 92.63198       19.33374  62.77792       
27.19508  123.1402       27.49141  73.08875 18.33001 106.3304 12.98387 
-33.24162      22.46264 
1 1 1 -4  6  1  o 363.4350 3.794500 1343.396       28.04353  1341.213       
39.58916  1345.594       39.73031  363.0860 5.361859 363.6780 5.372217 
-0.5920410     7.590141 
1 1 1 -4  6  2  o 132.6619 2.932801 178.9734       7.911888  164.2288       
10.93424  195.1776       11.46265  127.0680 4.231564 138.5263 4.069129 
-11.45833      5.870599 
1 1 1 -4  6  3  o 360.7305 3.803186 1323.481       27.89857  1354.750       
39.99043  1293.833       38.93962  364.9117 5.389107 356.6140 5.369599 
8.297729       7.607566 
1 1 1 -4  6  4  o 483.1121 4.602378 2374.302       45.21491  2368.508       
63.79177  2380.153       64.09638  482.4012 6.502868 483.5844 6.517931 
-1.183258      9.207101 
1 1 1 -4  6  5  o 198.2722 3.712546 399.8687       14.96874  378.3651       
18.12091  446.0621       26.55914  192.8464 4.620800 209.3360 6.239053 
-16.48959      7.763863 
1 1 1 -4  6  6  o 196.0650 3.376198 391.0127       13.46107  383.3709       
18.86671  398.9364       19.21161  194.1017 4.779865 198.0031 4.771340 
-3.901489      6.753725 
1 1 1 -4  6  7  o 131.0257 4.504558 174.6833       12.00218  216.6918       
23.28456  159.4833       14.00625  145.6099 7.893162 125.1729 5.502501 
20.43699       9.621825 
1 1 1 -4  6  8  o 451.7540 4.572217 2076.369       42.00299  2013.668       
58.16505  2144.698       60.71967  444.7410 6.431369 458.9760 6.505610 
-14.23495      9.147976 
1 1 1 -4  6  9  o 344.7486 4.067764 1208.937       28.51738  1178.553       
39.85149  1240.825       40.82549  340.3190 5.758469 349.1944 5.749269 
-8.875458      8.137201 
1 1 1 -4  6  10 o 875.9566 7.590132 7810.451       135.2021  7826.065       
191.6267  7794.973       190.7853  876.3349 10.75312 874.5972 10.72718 
1.737732       15.18888 
1 1 1 -4  6  11 f 312.0627 4.183031 990.4456       26.54510  975.1149       
37.12416  1006.484       37.97104  309.5940 5.896750 314.5331 5.936559 
-4.939056      8.367460 
1 1 1 -4  6  12 o 599.8622 5.720810 3660.693       69.78475  3679.618       
98.99242  3641.997       98.39141  601.2451 8.096530 598.1642 8.088823 
3.080872       11.44477 
1 1 1 -4  6  13 o 216.1871 5.422247 475.4900       23.83749  442.1309       
28.31905  556.5856       44.15401  208.4333 6.681289 233.7617 9.288494 
-25.32846      11.44184 
1 1 1 -4  6  14 o 80.81165 8.947815 67.35324       14.45746  54.79431       
20.68264  79.35324       20.21717  71.91772 14.63998 87.42026 11.66346 
-15.50254      18.71805 
1 1 1 -4  6  15 o 530.1914 6.275021 2862.328       67.65491  2826.867       
82.33419  2936.049       118.7127  526.7050 7.687079 536.1917 10.88744 
-9.486633      13.32770 
1 1 1 -4  6  16 o 366.7655 4.716394 1369.262       35.17628  1352.817       
49.51365  1386.021       49.98324  364.3501 6.682739 368.7966 6.664783 
-4.446503      9.438132 
1 1 1 -4  6  17 o 194.5583 4.988384 385.4995       19.73609  400.0853       
27.76088  370.5938       28.06368  198.0592 6.892658 190.5893 7.240936 
7.469925       9.996994 
1 1 1 -4  6  18 o 90.82614 8.313257 85.02792       15.18410  76.93664       
21.03880  93.82437       21.93643  85.60602 12.45038 94.87347 11.61268 
-9.267456      17.02546 
1 1 1 -4  6  19 o 50.35411 17.26809 24.45789       21.31997  47.63294       
30.70252  2.876362       29.62815  66.96401 20.56660 44.72195 18.91144 
22.24206       27.93971 
1 1 1 -4  6  20 o 118.8842 7.046657 144.9683       16.95968  143.2726       
24.50611  146.5271       23.49504  117.5920 10.35374 119.0455 9.792187 
-1.453461      14.25086 
1 1 1 -4  6  21 o 137.6593 7.058874 194.3327       19.69379  197.5117       
27.49677  190.9843       28.21975  138.2337 9.846087 135.8149 10.29427 
2.418884       14.24491 
1 1 1 -4  6  22 o 222.9045 5.646068 507.3771       25.59272  455.5755       
35.66734  562.3528       36.74380  210.6882 8.324902 234.2341 7.714053 
-23.54593      11.34948 
1 1 1 -4  6  23 o 63.85588 14.63189 44.60696       18.59274  38.09261       
25.67302  51.79216       26.96256  59.50579 18.88789 68.18016 18.82680 
-8.674370      26.66835 
1 1 1 -4  6  24 o 59.61139 23.55694 30.08707       42.24072  0.000000       
0.000000  30.08707       42.24072  ?        ?        59.61139 23.55694 
0.000000       23.55694 
1 1 1 -4  6  25 o 122.6168 8.506369 157.4868       21.07907  181.8930       
30.48110  135.1168       29.18192  130.2146 11.63367 111.2842 13.14933 
18.93032       17.55697 
1 1 1 -4  7  1  o 497.0083 4.656026 2512.834       47.05768  2524.475       
66.75415  2501.334       66.34695  498.0345 6.591244 495.7473 6.581261 
2.287201       9.314370 
1 1 1 -4  7  2  o 390.5830 3.963603 1551.667       31.48146  1517.282       
43.82531  1588.327       45.25198  386.1655 5.580846 395.1004 5.632208 
-8.934906      7.928910 
1 1 1 -4  7  3  o 144.3878 4.245050 212.0619       12.46421  0.000000       
0.000000  212.0619       12.46421  ?        ?        144.3878 4.245050 
0.000000       4.245050 
1 1 1 -4  7  4  o 399.0681 4.064191 1619.951       32.98167  1601.723       
46.29794  1638.733       46.99614  396.7321 5.738692 401.2881 5.759099 
-4.556030      8.130178 
1 1 1 -4  7  5  o 118.9441 3.893877 143.9172       9.418386  132.2897       
11.48431  167.8019       16.45974  114.0213 4.952989 128.3862 6.304537 
-14.36489      8.017436 
1 1 1 -4  7  6  o 307.2636 3.667474 960.3994       22.91551  940.2219       
32.05609  981.4865       32.77058  303.9460 5.186361 310.5440 5.189309 
-6.598022      7.336707 
1 1 1 -4  7  7  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -4  7  8  f 639.4069 5.822208 4161.197       75.70360  4324.982       
110.6610  4017.116       103.7910  651.5184 8.352500 627.9366 8.128165 
23.58185       11.65467 
1 1 1 -4  7  9  o 621.1339 5.716243 3925.836       72.20168  3964.167       
102.9147  3888.683       101.3211  623.9111 8.111542 617.9483 8.062996 
5.962830       11.43718 
1 1 1 -4  7  10 o 468.0444 4.797448 2228.366       45.66135  2196.976       
63.90490  2261.109       65.26642  464.6352 6.763487 471.3653 6.808960 
-6.730072      9.597223 
1 1 1 -4  7  11 o 126.4661 5.076293 162.6875       13.05486  143.4287       
18.24388  182.8973       18.68888  118.4694 7.613169 133.8905 6.887404 
-15.42113      10.26629 
1 1 1 -4  7  12 o 581.8647 5.603343 3444.289       66.30109  3414.937       
93.08105  3474.518       94.46201  579.2258 7.902453 584.2531 7.950689 
-5.027222      11.20992 
1 1 1 -4  7  13 o 253.3259 5.189049 652.8702       26.73122  652.3502       
32.72390  653.9132       46.34242  253.1892 6.355776 253.3844 8.993886 
-0.1952820     11.01299 
1 1 1 -4  7  14 o 254.7123 4.620715 660.0505       23.93373  667.4024       
34.07400  652.8910       33.62529  256.0510 6.544029 253.2527 6.529207 
2.798279       9.244180 
1 1 1 -4  7  15 o 332.6589 5.330758 1126.400       36.06115  1114.716       
44.03580  1150.187       62.83210  330.8378 6.545449 335.7916 9.201536 
-4.953796      11.29208 
1 1 1 -4  7  16 o 249.5450 4.672802 633.8896       23.71252  594.4085       
33.22356  674.8843       33.85448  241.4982 6.765202 257.3537 6.468956 
-15.85547      9.360307 
1 1 1 -4  7  17 o 346.4858 4.690450 1222.445       33.04847  1225.709       
46.64765  1219.156       46.82807  346.6965 6.616508 345.7620 6.660050 
0.9345398      9.387995 
1 1 1 -4  7  18 o 204.0360 5.047462 424.1536       20.94263  402.2527       
29.06694  447.7957       30.20026  198.4887 7.201321 209.4371 7.090970 
-10.94843      10.10648 
1 1 1 -4  7  19 o 51.88942 16.94708 27.22582       20.56938  11.02237       
27.18731  48.91754       31.45643  46.40443 18.70955 67.79198 20.81703 
-21.38755      27.98921 
1 1 1 -4  7  20 o 75.07198 11.38039 59.36555       16.82877  110.3294       
25.04786  17.43109       22.72088  102.6419 12.24189 46.72378 17.58624 
55.91811       21.42754 
1 1 1 -4  7  21 o 41.06371 15.32919 13.67600       17.19388  30.74747       
25.14084  -1.325008      23.56701  55.40860 18.75317 38.37262 16.56063 
17.03597       25.01871 
1 1 1 -4  7  22 o 139.0323 7.306413 198.5235       20.58476  189.2881       
29.21107  207.6337       29.01245  134.9680 10.73164 141.5513 10.14634 
-6.583313      14.76877 
1 1 1 -4  7  23 o 106.0402 9.244942 116.9093       19.73603  95.48209       
26.51814  143.5148       29.54917  94.26425 14.28121 116.5218 12.67502 
-22.25753      19.09474 
1 1 1 -4  7  24 o 52.37519 17.90810 28.71202       22.92836  59.96891       
28.29066  -31.11663      39.14036  72.25355 19.00123 40.42682 18.94250 
31.82673       26.83030 
1 1 1 -4  7  25 o 32.04913 14.20167 -3.606292      18.36722  -30.64154      
25.83707  24.01482       26.11552  30.54877 14.62335 49.82048 18.83102 
-19.27171      23.84218 
1 1 1 -4  8  1  o 490.4158 4.611588 2446.731       45.99031  2488.340       
65.88770  2407.195       64.22444  494.4315 6.553099 486.3077 6.494381 
8.123840       9.226055 
1 1 1 -4  8  2  f 163.5249 2.919008 271.9448       9.706680  274.9240       
13.75463  268.9891       13.70017  164.4012 4.114268 162.6165 4.142951 
1.784668       5.838771 
1 1 1 -4  8  3  o 238.0897 3.190692 576.5227       15.44817  610.0598       
22.39849  546.0966       21.33435  244.8852 4.497849 231.6912 4.528125 
13.19398       6.382364 
1 1 1 -4  8  4  o 310.1931 4.103395 978.8054       25.88373  930.8797       
30.89877  1091.560       47.39403  302.4672 5.023560 327.4132 7.118296 
-24.94604      8.712421 
1 1 1 -4  8  5  o 137.3397 3.766060 191.8751       10.51804  202.6403       
13.18206  173.0124       17.44915  141.1237 4.593376 130.1832 6.612971 
10.94044       8.051739 
1 1 1 -4  8  6  o 200.4348 3.363016 408.6469       13.70735  409.4212       
19.46630  407.8855       19.30495  200.5823 4.772426 200.2069 4.741746 
0.3754578      6.727571 
1 1 1 -4  8  7  o 320.0131 5.383915 1042.316       35.03623  0.000000       
0.000000  1042.316       35.03623  ?        ?        320.0131 5.383915 
0.000000       5.383915 
1 1 1 -4  8  8  o 187.4317 3.664471 357.3372       13.96709  366.1554       
19.95055  348.8607       19.56013  189.6934 5.171913 185.1586 5.194889 
4.534744       7.330454 
1 1 1 -4  8  9  o 229.2107 3.771444 534.3620       17.57899  513.4459       
24.53738  556.4171       25.19663  224.6417 5.371388 233.8553 5.298388 
-9.213593      7.544848 
1 1 1 -4  8  10 o 156.3045 4.334821 248.4946       13.77825  254.6021       
19.55189  242.4695       19.41955  158.1868 6.078089 154.3698 6.186222 
3.816986       8.672515 
1 1 1 -4  8  11 o 480.8022 4.952260 2351.426       48.41962  2241.892       
66.25849  2476.955       70.93147  469.3781 6.941723 493.3647 7.070001 
-23.98657      9.908200 
1 1 1 -4  8  12 o 719.1307 6.526466 5262.156       95.44153  5286.411       
135.4843  5238.263       134.4708  720.5135 9.246887 717.2279 9.219753 
3.285583       13.05790 
1 1 1 -4  8  13 o 597.6013 6.673877 3634.690       81.10379  3661.251       
99.84732  3583.179       139.0501  599.6332 8.188405 592.7783 11.53526 
6.854919       14.14611 
1 1 1 -4  8  14 o 396.8968 4.800767 1602.748       38.74714  1615.278       
55.62835  1590.941       54.00132  398.3066 6.867952 395.3062 6.717680 
3.000397       9.607081 
1 1 1 -4  8  15 o 50.12998 14.73701 26.19281       16.02036  19.89153       
20.19499  36.88980       26.31240  47.25937 16.76379 60.27666 19.12048 
-13.01729      25.42867 
1 1 1 -4  8  16 o 226.2151 4.760776 520.9505       21.90034  540.3881       
31.65193  503.0984       30.33363  230.2536 6.759931 222.1710 6.714067 
8.082657       9.527610 
1 1 1 -4  8  17 o 255.3298 4.704191 663.8707       24.42519  676.7159       
34.18776  650.4783       34.90839  257.6077 6.526199 252.5331 6.797669 
5.074585       9.423353 
1 1 1 -4  8  18 o 87.32063 8.842355 78.80852       15.48485  55.68661       
21.78646  102.4139       22.01307  71.99615 15.34964 99.26263 11.09525 
-27.26647      18.93980 
1 1 1 -4  8  19 o 47.33307 17.18404 19.60969       21.35694  17.33473       
30.71396  21.73939       29.71723  51.29653 20.14562 52.80182 20.05645 
-1.505291      28.42723 
1 1 1 -4  8  20 f 159.6564 7.114556 260.6355       23.09859  266.6720       
39.39285  257.4725       28.51513  160.1905 12.18421 158.1909 8.900425 
1.999573       15.08882 
1 1 1 -4  8  21 o 87.62298 10.36304 80.15828       18.10771  107.2334       
25.46122  52.44894       25.75768  100.9513 12.68263 69.16809 18.10221 
31.78320       22.10292 
1 1 1 -4  8  22 o 41.43507 15.43878 14.16518       17.42453  -1.007792      
24.34089  30.11288       24.95458  39.00729 16.83245 54.79149 18.68289 
-15.78420      25.14720 
1 1 1 -4  8  23 o 115.0414 8.861939 137.2742       20.57204  121.2809       
28.92234  153.6512       29.26724  106.6319 13.65155 120.7705 12.07906 
-14.13858      18.22823 
1 1 1 -4  8  24 o 63.01284 17.59232 45.01386       23.40451  50.05500       
28.74597  35.10077       40.31042  66.07904 19.81856 60.68417 23.28540 
5.394867       30.57753 
1 1 1 -4  8  25 o 105.7394 9.252578 118.1197       19.69507  136.6196       
29.06881  102.4205       26.77808  111.8160 13.02843 96.05561 14.13132 
15.76036       19.22067 
1 1 1 -4  9  1  o 636.1479 5.645158 4118.464       73.02737  4048.552       
101.7112  4192.850       104.9159  630.4442 7.933608 641.5649 8.041728 
-11.12073      11.29653 
1 1 1 -4  9  2  o 502.3051 4.702580 2566.991       48.03472  2666.793       
69.94905  2477.928       66.07876  511.8122 6.720781 493.3682 6.586267 
18.44406       9.409985 
1 1 1 -4  9  3  o 467.9664 4.487377 2227.938       42.70303  2159.719       
58.93020  2303.368       61.96654  460.6169 6.291390 475.6788 6.406075 
-15.06189      8.978829 
1 1 1 -4  9  4  o 734.8725 7.381984 5500.552       110.3155  5433.382       
133.7799  5643.269       195.0036  730.0587 9.011182 743.0088 12.90616 
-12.95007      15.74073 
1 1 1 -4  9  5  o 440.9943 4.371083 1978.711       39.19887  1932.261       
54.55271  2028.294       56.36273  435.6419 6.157937 446.3312 6.209882 
-10.68930      8.745445 
1 1 1 -4  9  6  o 208.3786 3.380021 441.6848       14.32266  449.7427       
20.46722  433.9522       20.04984  210.2257 4.787641 206.5027 4.774566 
3.723022       6.761508 
1 1 1 -4  9  7  o 326.4177 5.428627 1084.429       36.03423  0.000000       
0.000000  1084.429       36.03423  ?        ?        326.4177 5.428627 
0.000000       5.428627 
1 1 1 -4  9  8  o 287.6317 5.310692 841.8615       31.06271  0.000000       
0.000000  841.8615       31.06271  ?        ?        287.6317 5.310692 
0.000000       5.310692 
1 1 1 -4  9  9  o 163.0981 3.978585 270.5676       13.19559  295.7060       
19.15716  247.8730       18.20221  170.4780 5.526008 156.0778 5.734976 
14.40018       7.964089 
1 1 1 -4  9  10 o 352.1856 4.226521 1261.556       30.26955  1288.357       
43.31480  1235.974       42.31783  355.8485 5.985766 348.5399 5.970621 
7.308685       8.454449 
1 1 1 -4  9  11 o 645.4379 5.986043 4238.297       78.56801  4197.409       
110.1168  4280.698       112.1345  642.1270 8.432985 648.4600 8.503638 
-6.333008      11.97611 
1 1 1 -4  9  12 o 177.8596 4.649406 321.7715       16.81614  321.5947       
23.71206  321.9503       23.85177  177.7760 6.559108 177.8735 6.594136 
-0.9753418E-01 9.300781 
1 1 1 -4  9  13 o 80.24928 9.021668 66.42555       14.46724  34.50783       
19.76702  103.2456       21.23085  57.34865 16.22299 100.0845 10.59253 
-42.73589      19.37491 
1 1 1 -4  9  14 o 293.7320 5.260277 877.9850       31.42038  902.0664       
54.10751  865.7328       38.59448  297.4981 8.943798 291.6107 6.508343 
5.887421       11.06120 
1 1 1 -4  9  15 o 260.0428 5.329577 688.3776       28.18311  674.2254       
34.45040  717.0139       49.00496  257.2754 6.584830 265.0963 9.090442 
-7.820862      11.22480 
1 1 1 -4  9  16 o 231.5301 4.708364 545.7276       22.16812  539.6292       
31.54789  551.6757       31.15668  230.0827 6.742717 232.6503 6.585612 
-2.567581      9.425206 
1 1 1 -4  9  17 o 286.9295 4.641484 838.3659       27.08217  828.6275       
37.90453  848.5216       38.70805  285.0445 6.539237 288.4379 6.599296 
-3.393433      9.290442 
1 1 1 -4  9  18 o 236.3958 4.842052 569.3214       23.27666  589.9252       
33.55580  550.2125       32.31556  240.3964 6.864172 232.1665 6.844800 
8.229904       9.693716 
1 1 1 -4  9  19 o 202.7743 7.955735 420.6602       32.80535  376.6860       
42.79926  483.2931       51.07861  191.0262 11.06511 216.2825 11.65662 
-25.25626      16.07214 
1 1 1 -4  9  20 o 94.28551 10.31244 92.52786       19.44995  106.8387       
33.14779  85.01363       24.01947  99.63277 16.96882 89.54844 13.61952 
10.08433       21.75850 
1 1 1 -4  9  21 o 159.3620 6.438397 259.5705       20.86478  247.0486       
28.73330  273.5388       30.34732  154.7949 9.168894 162.9023 9.198594 
-8.107346      12.98779 
1 1 1 -4  9  22 o 37.39796 15.10162 7.044242       17.74248  9.788643       
25.51601  4.475111       24.68779  44.36792 18.04079 41.47095 17.38474 
2.896969       25.05393 
1 1 1 -4  9  23 o 126.3862 8.268698 165.1918       21.13428  145.0684       
30.04457  184.9021       29.73462  116.9985 12.83900 132.8768 11.10611 
-15.87824      16.97603 
1 1 1 -4  9  24 o 141.8944 9.496706 210.5773       27.24429  186.7648       
33.62033  256.1223       46.49643  132.1652 12.66437 153.4482 15.09608 
-21.28294      19.70477 
1 1 1 -4  9  25 o 53.47982 16.12495 32.67363       18.99256  20.34507       
27.25214  44.31649       26.48342  48.27220 18.97046 61.22267 19.15083 
-12.95047      26.95613 
1 1 1 -4  10 1  o 572.5097 5.970294 3336.499       69.50724  3331.285       
85.32359  3346.787       119.8443  571.8930 7.336736 572.7377 10.28988 
-0.8446655     12.63761 
1 1 1 -4  10 2  o 400.8315 4.621967 1634.698       37.67386  1668.107       
47.09834  1575.347       62.77553  404.8342 5.721066 393.2383 7.850243 
11.59589       9.713749 
1 1 1 -4  10 3  o 121.4247 3.473476 149.9709       8.576750  150.0045       
10.80750  149.9135       14.09608  121.4243 4.376915 121.3607 5.711743 
0.6354523E-01  7.195930 
1 1 1 -4  10 4  o 29.96687 8.648570 9.344983       5.563072  3.495522       
7.039696  19.07266       9.078218  24.54726 9.643346 42.40012 10.56679 
-17.85287      14.30563 
1 1 1 -4  10 5  o 338.4994 3.776407 1165.654       25.99490  1179.519       
37.12596  1152.320       36.40919  340.4140 5.363136 336.4691 5.321260 
3.944946       7.555067 
1 1 1 -4  10 6  o 74.49086 4.937454 56.71830       7.436838  67.87019       
10.72750  46.39967       10.31895  81.37502 6.537891 67.04000 7.709553 
14.33502       10.10847 
1 1 1 -4  10 7  o 427.9342 6.216731 1864.307       54.09916  0.000000       
0.000000  1864.307       54.09916  ?        ?        427.9342 6.216731 
0.000000       6.216731 
1 1 1 -4  10 8  o 404.1873 4.306770 1661.893       35.39857  1658.999       
49.91193  1664.823       50.21170  403.7353 6.079338 404.4417 6.105168 
-0.7063904     8.615766 
1 1 1 -4  10 9  o 161.4443 4.000679 265.1059       13.13433  292.2731       
18.86554  239.5516       18.29700  169.4888 5.473649 153.4352 5.864129 
16.05360       8.021772 
1 1 1 -4  10 10 o 415.3594 4.532774 1754.812       38.28597  1762.754       
54.12623  1746.859       54.16287  416.2220 6.394864 414.3395 6.428267 
1.882477       9.067353 
1 1 1 -4  10 11 o 436.5763 4.690107 1938.674       41.63843  1927.742       
58.66106  1949.774       59.11280  435.2623 6.627464 437.7419 6.640671 
-2.479584      9.381993 
1 1 1 -4  10 12 o 525.2130 5.267286 2806.222       56.25663  2805.148       
79.44827  2807.301       79.66999  524.9742 7.442092 525.1743 7.460018 
-0.2000732     10.53739 
1 1 1 -4  10 13 o 244.1788 4.536674 606.5295       22.52666  623.4733       
31.92974  589.7382       31.78578  247.5075 6.343890 240.7127 6.493552 
6.794754       9.078059 
1 1 1 -4  10 14 o 341.6788 5.318428 1188.090       36.95325  1188.374       
63.43368  1187.945       45.46440  341.4191 9.136518 341.5786 6.545298 
-0.1594849     11.23908 
1 1 1 -4  10 15 f 186.8847 5.760832 355.6345       21.89326  352.9485       
26.60904  361.2634       38.51960  186.1111 7.030812 187.8022 10.12364 
-1.691116      12.32560 
1 1 1 -4  10 16 o 177.6428 5.137644 321.3564       18.55936  328.5020       
26.49974  314.4773       26.00116  179.4690 7.261074 175.5946 7.281656 
3.874344       10.28327 
1 1 1 -4  10 17 o 441.8574 5.034477 1988.801       45.23639  1990.269       
63.77790  1987.315       64.17175  441.6155 7.101899 441.2763 7.151248 
0.3391724      10.07856 
1 1 1 -4  10 18 f 244.2183 4.794971 607.6329       23.81308  586.0099       
32.94615  631.2862       34.45829  239.5984 6.761908 248.6745 6.814138 
-9.076126      9.599785 
1 1 1 -4  10 19 o 292.0732 7.027431 871.6823       41.73877  976.6105       
60.58161  776.8703       57.58725  308.4756 9.657585 274.9521 10.29954 
33.52344       14.11912 
1 1 1 -4  10 20 o 123.0197 8.263844 155.7828       20.55323  143.1738       
33.29220  163.5480       26.12648  116.4586 14.36217 125.6425 10.31678 
-9.183975      17.68355 
1 1 1 -4  10 21 o 72.10726 12.37767 55.33678       17.49600  56.01366       
25.64107  54.74707       23.93328  71.42919 17.73441 70.73863 16.87396 
0.6905594      24.47937 
1 1 1 -4  10 22 o 170.5290 6.612936 297.6074       22.93210  268.3777       
32.46019  326.7319       32.40168  160.9823 9.964646 177.9735 8.981839 
-16.99123      13.41520 
1 1 1 -4  10 23 o 28.63858 13.17873 -12.28543      17.67183  -0.3497213     
25.75496  -22.90417      24.29257  40.00593 17.28882 31.70641 14.87772 
8.299522       22.80898 
1 1 1 -4  10 24 o 43.92810 18.62062 6.144511       28.83502  26.60713       
41.38548  -13.16087      40.19820  57.44515 23.11083 44.84768 20.34616 
12.59748       30.79085 
1 1 1 -4  10 25 o 97.12598 10.43568 101.0546       20.28817  89.77252       
29.43545  111.2644       28.00180  87.91100 17.08102 99.94110 14.17540 
-12.03011      22.19692 
1 1 1 -4  11 1  o 202.5469 3.424742 417.3059       14.10603  418.6093       
17.68220  415.0245       23.39370  202.8389 4.286803 201.9178 5.697351 
0.9211121      7.129972 
1 1 1 -4  11 2  f 470.5915 5.154366 2253.784       49.32542  2270.302       
61.08588  2222.833       83.61665  472.1983 6.361579 466.9340 8.806146 
5.264313       10.86360 
1 1 1 -4  11 3  o 377.4402 4.492093 1449.542       34.47849  1421.763       
41.96715  1507.225       60.47549  373.7373 5.521938 384.6050 7.732378 
-10.86768      9.501656 
1 1 1 -4  11 4  o 495.8989 4.707872 2502.468       47.47547  2421.554       
65.37346  2592.762       69.05894  487.6214 6.592760 504.5475 6.730796 
-16.92612      9.421682 
1 1 1 -4  11 5  o 271.3481 3.473736 748.9910       19.16792  779.5024       
27.62733  720.6723       26.61603  276.7559 4.908972 266.1070 4.918532 
10.64893       6.949098 
1 1 1 -4  11 6  o 150.1336 4.010771 229.3145       12.24496  249.5649       
21.08394  219.0076       15.04172  156.5434 6.623164 146.6959 5.042291 
9.847473       8.324121 
1 1 1 -4  11 7  o 382.0573 4.797056 1485.221       37.26959  1460.185       
64.62456  1497.697       45.62045  378.5426 8.395205 383.5915 5.848428 
-5.048889      10.23150 
1 1 1 -4  11 8  o 590.6032 5.477568 3549.353       65.78622  3607.973       
94.34454  3493.876       91.78001  595.2244 7.794435 585.7476 7.705239 
9.476807       10.96011 
1 1 1 -4  11 9  o 665.8692 6.048951 4511.628       81.90688  4437.219       
114.1934  4590.472       117.5470  660.1074 8.506973 671.3976 8.609550 
-11.29028      12.10343 
1 1 1 -4  11 10 o 586.1086 5.550479 3494.747       66.15459  3515.597       
93.96964  3474.260       93.14919  587.6922 7.862962 584.2288 7.840518 
3.463440       11.10405 
1 1 1 -4  11 11 o 335.2500 4.242500 1143.129       28.92292  1121.870       
40.51688  1165.220       41.30075  332.0658 6.000127 338.4206 6.001361 
-6.354797      8.486334 
1 1 1 -4  11 12 o 343.7346 4.435315 1201.820       31.00268  1152.384       
42.90924  1255.814       44.84351  336.5244 6.270220 351.3017 6.277228 
-14.77722      8.872387 
1 1 1 -4  11 13 o 71.74326 9.977370 53.46883       14.16219  43.68545       
20.17495  62.97294       19.88491  64.08215 15.62318 77.47854 13.08709 
-13.39639      20.38028 
1 1 1 -4  11 14 o 197.6367 5.740020 397.5962       23.06919  338.7938       
38.25464  431.2012       28.91932  181.9133 10.38419 205.7677 6.911295 
-23.85445      12.47387 
1 1 1 -4  11 15 o 478.7312 5.234650 2333.237       50.96016  2333.120       
71.98038  2333.355       72.15706  478.4150 7.398742 478.4362 7.416575 
-0.2114868E-01 10.47602 
1 1 1 -4  11 16 o 326.2676 4.651427 1083.788       30.86111  1071.074       
43.56853  1096.591       43.72028  324.1297 6.610018 327.9750 6.555271 
-3.845337      9.309346 
1 1 1 -4  11 17 o 196.3455 5.078804 392.7483       20.27841  393.3304       
28.35555  392.1389       29.01171  196.3074 7.103133 195.9911 7.279232 
0.3163452      10.17063 
1 1 1 -4  11 18 o 234.8401 4.906466 561.9508       23.43109  534.9656       
32.79332  590.0963       33.49083  228.8717 7.045988 240.4047 6.850645 
-11.53300      9.827374 
1 1 1 -4  11 19 o 151.7838 7.244990 235.5219       22.36220  198.0466       
36.94594  257.1885       28.09246  137.6828 13.36413 158.1760 8.767994 
-20.49316      15.98367 
1 1 1 -4  11 20 o 67.49151 14.73635 49.26807       19.65810  37.59476       
32.96636  55.70929       24.48827  61.68042 21.45432 71.41075 17.09118 
-9.730331      27.42984 
1 1 1 -4  11 21 f 100.4871 9.003422 104.5665       18.20286  79.72598       
25.00784  132.5577       26.54647  86.20299 14.79906 112.5808 11.76953 
-26.37778      18.90857 
1 1 1 -4  11 22 o 107.8611 9.025067 120.5817       19.61359  113.1018       
28.18913  127.6010       27.30748  103.1374 13.78543 110.0762 12.41629 
-6.938766      18.55269 
1 1 1 -4  11 23 o 115.7519 8.592425 139.0158       20.08100  113.7127       
28.44443  164.1572       28.35343  102.8989 13.95352 124.9761 11.27799 
-22.07719      17.94140 
1 1 1 -4  11 24 o 78.33345 19.09033 71.48892       30.13192  70.43280       
43.09661  72.49894       42.14526  76.02245 24.50812 77.06094 24.16753 
-1.038498      34.41973 
1 1 1 -4  11 25 o 68.85661 13.73446 53.42072       18.55698  47.96666       
26.85794  58.40277       25.66946  63.14776 19.20576 69.99702 17.94847 
-6.849255      26.28704 
1 1 1 -4  12 1  o 128.2791 2.939339 167.3700       7.667553  166.8105       
10.81506  167.9355       10.87228  128.0432 4.153564 128.4740 4.161540 
-0.4308777     5.879669 
1 1 1 -4  12 2  o 186.6842 3.372602 354.5067       12.80336  338.0589       
15.83713  385.5374       21.75298  182.2782 4.272583 194.6135 5.496603 
-12.33533      6.961868 
1 1 1 -4  12 3  o 286.5833 3.912208 835.5630       22.79944  823.3013       
28.04390  859.4667       39.15573  284.4278 4.848584 290.4936 6.628379 
-6.065765      8.212440 
1 1 1 -4  12 4  o 281.0030 3.449297 803.2410       19.71029  797.1615       
27.73702  809.4425       28.01416  279.8727 4.873579 282.0197 4.884801 
-2.147003      6.900221 
1 1 1 -4  12 5  o 177.4480 3.298375 320.2915       11.90207  306.8712       
16.72028  334.0768       16.94614  173.6521 4.734911 181.1907 4.599214 
-7.538544      6.600921 
1 1 1 -4  12 6  o 503.4413 5.558209 2579.781       56.90300  2721.798       
102.2364  2516.041       68.49245  516.5437 9.733008 497.0540 6.776222 
19.48965       11.85954 
1 1 1 -4  12 7  o 620.4940 6.544287 3919.677       82.57552  3901.779       
143.0354  3928.624       101.1303  618.2797 11.37646 621.0049 8.008194 
-2.725220      13.91240 
1 1 1 -4  12 8  o 367.0869 4.122348 1370.695       30.77266  1369.952       
43.56198  1371.435       43.47638  366.9104 5.838432 367.1097 5.823795 
-0.1993103     8.246447 
1 1 1 -4  12 9  o 322.9393 4.032312 1060.732       26.48052  1080.607       
37.74413  1041.467       37.16090  325.8974 5.695307 319.9404 5.711704 
5.957001       8.065984 
1 1 1 -4  12 10 o 441.3389 4.658004 1981.221       41.80455  2022.843       
59.90041  1941.698       58.37039  445.8640 6.606569 436.8316 6.570935 
9.032410       9.317937 
1 1 1 -4  12 11 o 152.1794 4.690994 235.5620       14.51684  252.1885       
20.73104  219.5654       20.33453  157.4302 6.475626 146.8893 6.807578 
10.54092       9.395576 
1 1 1 -4  12 12 o 142.4436 5.377520 206.4307       15.57674  236.6910       
22.36668  177.9321       21.70585  152.4896 7.212899 131.9447 8.129299 
20.54495       10.86791 
1 1 1 -4  12 13 o 326.2760 6.461532 1083.632       42.87183  1083.632       
42.87183  0.000000       0.000000  326.2760 6.461532 ?        ?        
0.000000       6.461532 
1 1 1 -4  12 14 o 470.6302 5.882270 2254.898       56.29581  2231.158       
96.77974  2267.039       69.20960  467.5608 10.17876 471.7460 7.214507 
-4.185211      12.47623 
1 1 1 -4  12 15 o 500.2011 5.316421 2547.518       54.07735  2530.832       
75.77829  2564.833       77.19525  498.2201 7.479493 501.5390 7.568929 
-3.318939      10.64103 
1 1 1 -4  12 16 o 469.1159 5.153721 2241.417       49.16460  2203.534       
68.74051  2281.090       70.34576  464.7420 7.273600 472.8405 7.315969 
-8.098511      10.31643 
1 1 1 -4  12 17 o 131.6732 6.259336 176.8315       16.76012  170.9314       
23.46650  182.9750       23.94554  128.9368 9.006514 133.4440 8.874781 
-4.507217      12.64433 
1 1 1 -4  12 18 o 106.6342 7.418590 116.7554       15.98661  96.56018       
22.26838  138.2331       22.96464  96.18224 11.62084 115.6731 9.856859 
-19.49087      15.23816 
1 1 1 -4  12 19 f 245.1202 5.892682 613.1887       29.37268  610.1163       
49.85144  614.8224       36.35304  243.6411 10.06180 245.2053 7.290538 
-1.564194      12.42545 
1 1 1 -4  12 20 o 178.0529 6.728481 324.1385       24.36225  324.4153       
42.49155  324.0030       29.73489  176.7146 11.89360 177.7724 8.225276 
-1.057877      14.46074 
1 1 1 -4  12 21 o 107.5517 8.799202 119.6084       19.07624  151.1773       
27.51286  90.38089       26.47293  120.3826 11.37358 91.92030 14.65458 
28.46228       18.55033 
1 1 1 -4  12 22 o 316.8997 5.305714 1025.703       34.19142  1012.587       
48.58239  1038.575       48.12873  314.1234 7.605490 318.1924 7.438120 
-4.069000      10.63810 
1 1 1 -4  12 23 f 113.7904 8.657899 134.5031       19.88379  141.1294       
29.07328  128.6799       27.25460  115.2505 12.61086 110.0757 12.39126 
5.174835       17.67985 
1 1 1 -4  12 24 o 72.25115 19.53857 61.42539       29.39753  22.01465       
41.53585  100.9827       41.61304  55.45934 22.83678 91.11956 22.57401 
-35.66022      32.11082 
1 1 1 -4  12 25 o 52.80270 17.09202 32.01389       20.94474  4.548748       
35.17385  47.10245       26.07071  45.60958 19.95071 62.51773 18.90171 
-16.90814      27.48282 
1 1 1 -4  13 1  o 216.0007 3.653241 474.6405       16.04667  460.8862       
29.28189  480.5439       19.18370  212.7092 6.769577 217.3158 4.340999 
-4.606628      8.041855 
1 1 1 -4  13 2  o 580.9635 5.260364 3435.583       62.14641  3451.896       
88.19032  3419.493       87.58935  582.0167 7.451335 579.2813 7.435504 
2.735413       10.52659 
1 1 1 -4  13 3  o 323.2356 3.612459 1062.885       23.74507  1072.238       
33.77934  1053.749       33.38534  324.5695 5.117902 321.7599 5.102376 
2.809570       7.226836 
1 1 1 -4  13 4  o 123.8668 3.287700 156.0691       8.281301  160.1093       
11.79566  152.1421       11.62918  125.4337 4.624413 122.2718 4.677041 
3.161827       6.577227 
1 1 1 -4  13 5  o 262.0950 3.464049 698.7653       18.46265  670.2351       
25.68157  729.2825       26.56089  256.6307 4.921092 267.6987 4.879159 
-11.06799      6.929887 
1 1 1 -4  13 6  o 94.61279 4.785282 91.31824       9.176881  90.74870       
15.50429  91.62536       11.38548  94.01514 8.191510 94.68761 5.943119 
-0.6724777     10.12035 
1 1 1 -4  13 7  f 356.8469 4.662116 1295.534       33.83112  1273.193       
58.62934  1306.686       41.42316  353.5357 8.155119 358.3266 5.684768 
-4.790833      9.940953 
1 1 1 -4  13 8  o 428.2449 6.314111 1866.442       54.98647  1866.442       
54.98647  0.000000       0.000000  428.2449 6.314111 ?        ?        
0.000000       6.314111 
1 1 1 -4  13 9  o 283.3131 3.922608 816.3664       22.59920  832.5132       
32.31007  800.9008       31.62125  286.0580 5.554339 280.5747 5.542160 
5.483337       7.846415 
1 1 1 -4  13 10 o 744.2590 6.637142 5636.523       100.4515  5665.857       
142.5683  5607.604       141.5569  745.8983 9.399226 742.0562 9.380867 
3.842041       13.27954 
1 1 1 -4  13 11 o 266.3711 4.167676 721.6680       22.57525  728.8489       
32.10961  714.6489       31.74594  267.6493 5.899531 265.0295 5.890371 
2.619843       8.336721 
1 1 1 -4  13 12 o 500.2233 5.159777 2545.722       52.48634  2577.164       
74.80938  2515.240       73.65782  503.1502 7.311508 497.0706 7.287009 
6.079590       10.32273 
1 1 1 -4  13 13 o 288.3690 4.485210 846.0015       26.30163  849.7590       
37.58635  842.3961       36.81781  288.9217 6.397326 287.6728 6.293726 
1.248962       8.974228 
1 1 1 -4  13 14 o 196.5967 5.728256 393.4868       22.90077  440.1315       
40.34973  371.3217       27.81467  207.6862 9.553919 190.9103 7.164618 
16.77585       11.94191 
1 1 1 -4  13 15 o 451.5430 5.073361 2075.913       46.58502  2015.377       
64.35058  2142.571       67.52644  444.6187 7.117267 458.4125 7.243791 
-13.79382      10.15520 
1 1 1 -4  13 16 o 256.6584 4.718421 670.7889       24.62655  691.8649       
35.03656  650.2093       34.62156  260.4704 6.614722 252.4930 6.742887 
7.977463       9.445690 
1 1 1 -4  13 17 o 84.25970 9.044030 73.49149       15.25410  85.09044       
21.46762  61.66295       21.67903  90.18260 12.00422 75.99945 14.55748 
14.18315       18.86853 
1 1 1 -4  13 18 o 211.8076 5.019326 457.2461       21.61914  436.8342       
30.03546  479.1907       31.14276  206.7712 7.143198 216.5744 7.071286 
-9.803192      10.05129 
1 1 1 -4  13 19 o 42.63522 15.68262 15.37209       17.87163  75.29934       
30.24691  -16.77081      22.15192  82.98844 18.40520 31.81508 14.68172 
51.17336       23.54367 
1 1 1 -4  13 20 o 157.6628 7.396818 254.4964       23.71514  263.0549       
39.70539  249.7500       29.56873  158.8553 12.38921 155.5853 9.389716 
3.269974       15.54540 
1 1 1 -4  13 21 o 158.1021 6.711040 255.7447       21.57640  244.3000       
29.96949  268.0599       31.08853  153.7279 9.635533 161.0840 9.533085 
-7.356140      13.55445 
1 1 1 -4  13 22 o 74.41841 12.69535 59.30695       18.52285  48.77046       
26.29381  69.68697       26.09783  66.34287 18.69074 79.61745 16.65451 
-13.27457      25.03431 
1 1 1 -4  13 23 o 157.4680 6.851953 254.7894       21.94109  274.4954       
32.25216  237.8123       29.93591  162.2739 9.819935 151.0100 9.801441 
11.26392       13.87441 
1 1 1 -4  13 24 o 71.87505 19.32527 60.98724       28.85732  83.81567       
41.98701  40.54972       39.72748  81.99512 23.78763 61.70897 23.24897 
20.28615       33.26208 
1 1 1 -4  13 25 o 35.08591 15.26295 0.6232035      20.33915  37.19196       
35.70165  -16.94832      24.74788  57.69183 21.96674 32.67797 15.22957 
25.01386       26.72972 
1 1 1 -4  14 1  o 283.8972 7.157181 821.1823       41.31946  821.1823       
41.31946  0.000000       0.000000  283.8972 7.157181 ?        ?        
0.000000       7.157181 
1 1 1 -4  14 2  o 148.0406 3.519159 222.9465       10.59427  225.5824       
12.41523  215.8855       20.31994  148.8999 4.100238 145.5753 6.864095 
3.324524       7.995483 
1 1 1 -4  14 3  o 218.6168 3.736951 486.2178       16.61317  502.9642       
20.25430  451.7870       29.04222  222.3227 4.480041 210.5996 6.781423 
11.72307       8.127636 
1 1 1 -4  14 4  o 40.76117 8.225709 17.54624       6.583148  20.87824       
7.742175  8.849141       12.50828  44.46639 8.873036 34.56878 13.04050 
9.897614       15.77293 
1 1 1 -4  14 5  o 173.0560 7.001381 305.0248       24.63892  0.000000       
0.000000  305.0248       24.63892  ?        ?        173.0560 7.001381 
0.000000       7.001381 
1 1 1 -4  14 6  o 433.3906 5.054325 1911.285       44.54450  2003.132       
78.93359  1868.366       53.95735  443.3297 8.755554 428.4117 6.193525 
14.91803       10.72471 
1 1 1 -4  14 7  o 693.5679 7.152371 4897.633       100.8766  4777.012       
171.6639  4961.257       124.6741  684.0615 12.34049 697.8187 8.785819 
-13.75714      15.14854 
1 1 1 -4  14 8  o 375.7363 4.181314 1436.010       31.94827  1445.819       
45.40520  1426.391       44.96141  376.9432 5.923498 374.4029 5.905399 
2.540283       8.364304 
1 1 1 -4  14 9  o 450.9410 4.651924 2068.429       42.65833  2092.874       
60.79662  2044.724       59.87002  453.5032 6.592463 448.2575 6.567958 
5.245667       9.305840 
1 1 1 -4  14 10 o 444.5573 4.679244 2010.250       42.30141  2030.707       
60.06448  1990.118       59.58487  446.7249 6.611897 442.2372 6.625662 
4.487732       9.360373 
1 1 1 -4  14 11 o 799.5762 7.071861 6506.857       114.9860  6598.396       
164.6302  6419.667       160.6716  804.7733 10.05969 793.8157 9.953321 
10.95758       14.15154 
1 1 1 -4  14 12 o 175.6246 5.591541 313.8492       19.96955  327.5830       
24.63809  287.5504       34.09416  179.3949 6.753760 167.6653 10.04595 
11.72957       12.10514 
1 1 1 -4  14 13 o 166.3150 5.269387 281.4883       17.82145  311.2017       
26.10789  255.5635       24.38672  174.8015 7.344718 158.3984 7.570963 
16.40311       10.54819 
1 1 1 -4  14 14 o 628.2968 6.995017 4022.041       89.37274  3945.272       
151.6633  4062.882       110.6199  621.0277 12.00931 631.1421 8.618961 
-10.11438      14.78209 
1 1 1 -4  14 15 o 461.1197 7.245410 2168.353       67.94040  2168.353       
67.94040  0.000000       0.000000  461.1197 7.245410 ?        ?        
0.000000       7.245410 
1 1 1 -4  14 16 o 151.6119 5.535023 234.2272       17.06492  236.0423       
24.33543  232.4711       23.93639  151.8221 7.909657 150.6758 7.839095 
1.146378       11.13616 
1 1 1 -4  14 17 o 110.9951 7.054843 126.3025       15.84096  136.9031       
22.08079  115.0607       22.73870  115.2061 9.510155 105.3217 10.76831 
9.884384       14.36661 
1 1 1 -4  14 18 o 173.0934 5.513947 305.5581       19.40861  269.5127       
27.18060  343.0573       27.72328  162.0507 8.275749 183.1806 7.442414 
-21.12988      11.13003 
1 1 1 -4  14 19 o 95.18547 10.19788 94.25252       19.43203  115.6316       
34.26321  84.11543       23.59340  103.7672 16.81262 89.09951 13.43943 
14.66771       21.52400 
1 1 1 -4  14 20 o 215.7686 6.390219 475.8936       28.03854  417.0237       
47.51843  507.3379       34.72857  200.4081 11.71087 222.5217 7.674730 
-22.11365      14.00164 
1 1 1 -4  14 21 o 92.75686 10.02007 89.72665       18.60001  74.26584       
25.99621  105.9429       26.62379  82.66733 16.04275 99.96504 13.43725 
-17.29771      20.92677 
1 1 1 -4  14 22 o 195.9668 6.043217 392.9715       24.08253  369.1283       
34.47976  415.6823       33.65105  189.2078 8.961357 201.0029 8.232747 
-11.79515      12.16898 
1 1 1 -4  14 23 o 115.3471 8.669288 138.4330       20.18615  122.6627       
29.63957  152.0758       27.56793  106.5903 14.01391 119.9491 11.44071 
-13.35876      18.09087 
1 1 1 -4  14 24 o 33.31983 15.55738 -19.83987      26.01441  26.62342       
37.51497  -62.87709      36.10536  55.20259 22.07581 32.44500 15.92571 
22.75759       27.22076 
1 1 1 -4  15 1  o 108.9216 3.709629 120.6920       8.216669  85.17129       
16.37613  132.6430       9.498880  90.94623 8.971625 114.1805 4.090994 
-23.23431      9.860339 
1 1 1 -4  15 2  o 392.1884 5.855181 1565.989       46.69674  1624.384       
67.62732  1512.774       64.55787  399.1620 8.331468 385.2162 8.241253 
13.94583       11.71886 
1 1 1 -4  15 3  o 116.6485 3.208524 138.4043       7.610900  123.0184       
10.61782  154.6642       10.91522  109.9483 4.748922 123.2901 4.353644 
-13.34172      6.442553 
1 1 1 -4  15 4  o 227.4671 3.278137 526.2911       15.16342  490.7798       
20.90605  565.7107       22.02643  219.6151 4.681212 235.7883 4.593782 
-16.17325      6.558703 
1 1 1 -4  15 5  o 184.5385 3.755549 346.4168       14.09328  346.3339       
23.77851  346.4617       17.49780  184.4366 6.339954 184.5271 4.663070 
-0.9046936E-01 7.870149 
1 1 1 -4  15 6  o 337.3952 3.882258 1157.948       26.63635  1123.979       
37.14663  1193.899       38.21507  332.3367 5.496544 342.5182 5.486553 
-10.18149      7.766226 
1 1 1 -4  15 7  o 231.0899 4.262877 543.2293       20.03250  527.7358       
35.19479  550.6544       24.36432  227.6564 7.602337 232.6392 5.150149 
-4.982864      9.182569 
1 1 1 -4  15 8  o 266.6143 4.382988 723.0462       23.76322  700.9887       
28.71152  771.0151       42.34071  262.4890 5.378903 275.2049 7.565725 
-12.71591      9.282930 
1 1 1 -4  15 9  o 378.6445 4.957654 1458.433       38.17326  1449.679       
46.40760  1476.749       67.12710  377.4637 6.045920 380.8328 8.667866 
-3.369019      10.56811 
1 1 1 -4  15 10 o 142.4025 5.402370 206.2977       15.64420  211.3705       
19.18455  196.2292       27.02791  144.1241 6.545813 138.4653 9.659381 
5.658798       11.66839 
1 1 1 -4  15 11 o 334.8986 5.002587 1140.980       34.06900  1117.668       
41.10640  1192.127       60.88700  331.4168 6.099349 342.1358 8.751343 
-10.71893      10.66715 
1 1 1 -4  15 12 o 381.6469 6.482208 1482.592       50.30789  1482.592       
50.30789  0.000000       0.000000  381.6469 6.482208 ?        ?        
0.000000       6.482208 
1 1 1 -4  15 13 o 179.5827 5.777662 328.2772       21.09930  336.5723       
26.48191  313.8584       34.91429  181.7823 7.163846 175.1324 9.843513 
6.649994       12.17438 
1 1 1 -4  15 14 o 127.5570 7.444308 166.4156       19.22603  146.0661       
31.31734  178.7238       24.35599  118.6717 13.20108 132.0185 9.128400 
-13.34673      16.04980 
1 1 1 -4  15 15 o 313.0096 4.647748 997.4747       29.58365  1035.046       
42.22523  961.2525       41.46045  318.6500 6.516384 307.0660 6.639735 
11.58398       9.303190 
1 1 1 -4  15 16 o 109.1973 7.195964 122.2361       15.88954  133.4152       
22.99848  112.0265       21.97861  113.6824 10.05202 104.0118 10.53660 
9.670586       14.56239 
1 1 1 -4  15 17 o 123.3984 6.622336 155.8776       16.55704  170.9853       
23.32674  140.5385       23.50466  128.9107 8.953981 116.6257 10.00774 
12.28501       13.42865 
1 1 1 -4  15 18 o 186.3931 5.412838 354.3228       20.51664  346.5706       
28.69347  362.4324       29.34741  184.0626 7.665954 188.2273 7.667181 
-4.164764      10.84216 
1 1 1 -4  15 19 o 149.0278 7.328831 227.2758       22.21025  265.6081       
38.76126  208.5379       27.10039  159.8157 12.01480 142.1521 9.428502 
17.66364       15.27260 
1 1 1 -4  15 20 o 80.48935 13.13182 69.01717       20.75262  55.59893       
35.37872  76.05610       25.62406  71.35477 22.10430 83.89374 15.59389 
-12.53896      27.05124 
1 1 1 -4  15 21 o 156.1295 6.944818 249.6361       22.04943  283.4925       
31.89286  218.6363       30.51777  165.6015 9.510509 145.1146 10.41085 
20.48683       14.10090 
1 1 1 -4  15 22 o 204.1237 5.928003 426.4049       24.60669  378.1586       
34.59732  475.7934       35.00448  191.4597 8.886148 215.0503 8.004463 
-23.59056      11.95973 
1 1 1 -4  15 23 o 91.77467 10.64700 89.15677       19.50100  100.0653       
29.83657  81.02156       25.76616  95.12560 15.99149 85.66504 15.35494 
9.460556       22.16985 
1 1 1 -4  15 24 o 101.8186 13.76240 114.2656       27.76508  86.21783       
38.51030  144.6275       40.06749  83.24767 22.30013 111.7036 18.27080 
-28.45596      28.82912 
1 1 1 -4  16 1  o 273.0879 5.045713 758.9682       28.02053  761.1458       
39.69025  756.8044       39.56409  273.3541 7.140141 272.5736 7.137826 
0.7805481      10.09605 
1 1 1 -4  16 2  o 189.3788 4.823570 364.9648       18.57597  337.3032       
25.66436  395.4025       26.92147  181.9788 6.935187 197.0396 6.718833 
-15.06078      9.656062 
1 1 1 -4  16 3  o 173.5510 4.374156 306.4583       15.43736  306.4583       
15.43736  0.000000       0.000000  173.5510 4.374156 ?        ?        
0.000000       4.374156 
1 1 1 -4  16 4  o 301.3579 4.072578 923.9138       24.95764  910.5991       
41.96077  931.2026       31.04629  299.0210 6.900654 302.4987 5.047018 
-3.477661      8.549353 
1 1 1 -4  16 5  o 411.4436 4.845858 1722.492       40.54454  1667.898       
67.88808  1752.761       50.54970  404.5921 8.251343 414.9635 5.990420 
-10.37134      10.19656 
1 1 1 -4  16 6  o 578.4883 5.349698 3405.257       62.93254  3448.248       
90.00922  3364.141       88.02410  581.8966 7.606585 574.7652 7.531123 
7.131409       10.70411 
1 1 1 -4  16 7  o 273.3379 4.311686 759.9995       23.96616  777.4381       
42.86148  752.0671       28.90749  276.3260 7.627708 271.8794 5.228566 
4.446533       9.247694 
1 1 1 -4  16 8  o 536.0859 5.145575 2923.652       56.09443  2963.186       
80.30266  2885.978       78.39088  539.5487 7.318933 532.4794 7.239545 
7.069275       10.29455 
1 1 1 -4  16 9  o 566.7983 5.382987 3268.268       62.04451  3272.837       
87.84944  3263.721       87.63931  567.0379 7.618605 566.2482 7.610981 
0.7896729      10.76894 
1 1 1 -4  16 10 o 346.8990 4.251005 1224.001       29.98791  1216.869       
42.02272  1231.402       42.80676  345.8271 5.975492 347.8828 6.051010 
-2.055725      8.504189 
1 1 1 -4  16 11 o 232.7427 4.265547 551.0031       20.18841  566.0580       
28.79625  536.4508       28.31138  235.8527 6.004042 229.5999 6.063703 
6.252762       8.533288 
1 1 1 -4  16 12 o 320.5215 5.101038 1045.337       33.24813  1067.985       
41.08598  1002.367       56.59374  323.9158 6.237493 313.6302 8.873585 
10.28561       10.84651 
1 1 1 -4  16 13 o 280.2868 4.521343 799.3837       25.77043  821.7076       
37.15625  778.6912       35.77288  284.0637 6.432277 276.5330 6.361443 
7.530670       9.046665 
1 1 1 -4  16 14 o 464.9213 5.098804 2200.596       48.20580  2199.424       
68.47468  2201.748       67.87585  464.4919 7.249373 464.7483 7.182010 
-0.2564392     10.20464 
1 1 1 -4  16 15 o 177.7810 5.256423 321.9330       19.00321  301.8287       
26.36491  343.6707       27.41503  171.9787 7.538765 183.5295 7.345671 
-11.55075      10.52577 
1 1 1 -4  16 16 o 264.8930 4.689388 714.7020       25.26027  691.8056       
35.16766  739.1053       36.30640  260.3857 6.641632 269.1412 6.633637 
-8.755432      9.387034 
1 1 1 -4  16 17 o 190.2108 5.229612 368.8148       20.22815  362.4932       
28.35714  375.3640       28.86342  188.3309 7.404391 191.6450 7.406259 
-3.314072      10.47271 
1 1 1 -4  16 18 o 136.1164 6.526760 189.2539       18.06590  175.5150       
24.95296  204.3887       26.18998  130.4177 9.473475 140.8444 9.194613 
-10.42667      13.20180 
1 1 1 -4  16 19 o 44.02840 16.07095 16.88564       18.71615  63.39517       
31.57525  -8.306831      23.23867  75.70954 20.15278 35.48507 15.83416 
40.22447       25.62919 
1 1 1 -4  16 20 o 212.9343 7.669193 464.8001       33.20831  457.2648       
49.00347  471.1995       45.15902  209.8286 11.52867 213.6681 10.39330 
-3.839569      15.52195 
1 1 1 -4  16 21 f 208.1460 6.609107 443.5095       27.97449  483.1802       
36.53194  387.2691       43.49720  216.8374 8.284898 193.0059 11.12975 
23.83147       13.87483 
1 1 1 -4  16 22 o 219.6238 6.834316 494.9235       30.52291  523.5136       
39.79016  454.0463       47.57820  225.2502 8.686786 208.4606 11.26543 
16.78954       14.22569 
1 1 1 -4  16 23 o 137.9011 9.041043 198.4069       25.21316  164.1447       
31.94518  255.0105       41.06010  123.7385 12.88445 154.2878 13.21442 
-30.54924      18.45616 
1 1 1 -4  16 24 o 44.72480 20.06231 -4.591445      37.83298  -4.591445      
37.83298  0.000000       0.000000  44.72480 20.06231 ?        ?        
0.000000       20.06231 
1 1 1 -4  17 1  o 234.3774 6.913857 559.4396       32.95243  0.000000       
0.000000  559.4396       32.95243  ?        ?        234.3774 6.913857 
0.000000       6.913857 
1 1 1 -4  17 2  o 338.1723 5.492056 1163.977       37.76804  1177.760       
53.90974  1150.691       52.92794  339.9912 7.797369 336.0661 7.744776 
3.925140       10.99002 
1 1 1 -4  17 3  o 481.2885 5.378487 2357.498       52.64014  2416.490       
95.46413  2331.725       63.10007  486.7533 9.644504 478.5458 6.484178 
8.207458       11.62158 
1 1 1 -4  17 4  o 395.1966 4.677663 1589.082       37.59184  1522.135       
62.39499  1627.229       47.09975  386.5330 7.938012 399.8388 5.792717 
-13.30582      9.826881 
1 1 1 -4  17 5  o 368.4511 4.567793 1381.153       34.22455  1308.354       
56.44950  1423.465       43.03640  358.4081 7.745169 373.9926 5.658764 
-15.58447      9.592146 
1 1 1 -4  17 6  o 526.4911 4.997579 2820.223       53.50596  2831.136       
75.99063  2809.494       75.35114  527.3372 7.086312 525.3209 7.053647 
2.016296       9.998487 
1 1 1 -4  17 7  o 532.2195 5.881807 2882.300       63.65799  2847.856       
110.1525  2899.571       78.00249  528.6139 10.24718 533.7099 7.187068 
-5.096008      12.51634 
1 1 1 -4  17 8  o 238.8361 3.757012 580.1552       18.24710  641.8338       
26.96391  528.0452       24.78426  251.1766 5.279006 227.8244 5.349636 
23.35223       7.515751 
1 1 1 -4  17 9  o 109.1408 5.233661 121.1790       11.61567  110.6919       
16.32769  131.9252       16.52823  103.9880 7.777611 113.6237 7.190371 
-9.635658      10.59210 
1 1 1 -4  17 10 o 612.8391 5.737567 3821.314       71.50324  3845.481       
101.6503  3797.644       100.5996  614.5610 8.133775 610.7299 8.100201 
3.831055       11.47918 
1 1 1 -4  17 11 o 207.2242 4.372374 436.8260       18.42507  468.7622       
26.58600  407.3110       25.55833  214.6177 6.091667 200.0504 6.282630 
14.56723       8.750991 
1 1 1 -4  17 12 o 547.2186 6.277091 3048.418       69.85069  3106.856       
86.89396  2941.686       117.4323  552.2635 7.737342 536.9186 10.75543 
15.34485       13.24937 
1 1 1 -4  17 13 o 324.8379 5.257193 1074.100       34.72738  1105.245       
61.38664  1059.441       42.11419  329.1349 9.171671 322.5243 6.421177 
6.610687       11.19603 
1 1 1 -4  17 14 o 222.7919 4.739491 505.2987       21.47250  462.7584       
29.98008  550.1064       30.76868  213.0612 6.919538 232.3350 6.512424 
-19.27386      9.502193 
1 1 1 -4  17 15 o 339.5300 4.642198 1173.887       32.05186  1166.972       
45.41491  1180.750       45.24193  338.2705 6.602113 340.2714 6.538291 
-2.000946      9.291778 
1 1 1 -4  17 16 o 351.6972 4.760726 1260.065       34.04815  1314.657       
49.03227  1209.226       47.31628  358.8941 6.718376 344.1941 6.760141 
14.69995       9.530797 
1 1 1 -4  17 17 o 201.4284 5.048903 413.5756       20.68089  393.1299       
28.69172  435.6851       29.83622  196.1328 7.193742 206.4883 7.105536 
-10.35550      10.11131 
1 1 1 -4  17 18 o 203.5023 5.280241 422.4114       21.85116  457.5187       
31.44909  389.6441       30.38290  211.4836 7.312739 195.1100 7.657700 
16.37361       10.58851 
1 1 1 -4  17 19 o 127.0250 8.250095 166.1985       21.19535  141.9415       
35.64865  179.4623       26.36075  115.3897 15.59160 131.6499 9.919473 
-16.26014      18.47955 
1 1 1 -4  17 20 o 104.8418 12.09980 115.5328       25.32304  107.3553       
36.85493  122.8462       34.85323  98.74500 19.04413 106.7039 16.60220 
-7.958939      25.26484 
1 1 1 -4  17 21 o 231.1023 5.684353 545.9048       26.71386  539.0873       
37.57529  552.8723       37.98628  229.0454 8.067322 231.9597 8.053096 
-2.914276      11.39886 
1 1 1 -4  17 22 o 114.3113 12.50683 138.6453       28.59858  0.000000       
0.000000  138.6453       28.59858  ?        ?        114.3113 12.50683 
0.000000       12.50683 
1 1 1 -4  17 23 o 106.2480 9.304884 118.4802       19.90142  125.0571       
29.25395  112.8140       27.15305  107.2933 13.72226 101.9753 13.41994 
5.317970       19.19362 
1 1 1 -4  17 24 o 102.4366 13.40591 116.0741       27.25552  125.7749       
40.36996  107.9485       36.94730  101.8449 20.20581 94.40755 19.87387 
7.437332       28.34158 
1 1 1 -4  18 1  o 263.8275 7.136963 708.8416       38.28997  0.000000       
0.000000  708.8416       38.28997  ?        ?        263.8275 7.136963 
0.000000       7.136963 
1 1 1 -4  18 2  o 417.4159 8.619399 1775.704       73.16399  0.000000       
0.000000  1775.704       73.16399  ?        ?        417.4159 8.619399 
0.000000       8.619399 
1 1 1 -4  18 3  o 136.5744 5.631371 189.8381       15.63993  189.8381       
15.63993  0.000000       0.000000  136.5744 5.631371 ?        ?        
0.000000       5.631371 
1 1 1 -4  18 4  o 296.7011 4.056117 895.5040       24.47266  887.9733       
41.17006  899.6190       30.43301  295.3200 6.855470 297.3437 5.033090 
-2.023743      8.504673 
1 1 1 -4  18 5  o 498.1193 4.788662 2524.396       48.50639  2580.421       
69.94488  2472.487       67.32681  503.4548 6.831940 492.8233 6.718082 
10.63147       9.581651 
1 1 1 -4  18 6  o 304.3929 4.366754 942.5185       27.02991  972.4647       
49.16453  929.5456       32.35929  309.0342 7.823371 302.2594 5.264628 
6.774780       9.429817 
1 1 1 -4  18 7  o 698.6462 7.204677 4968.429       102.3583  5100.623       
182.4071  4907.669       123.6642  707.0544 12.68637 694.1765 8.760376 
12.87793       15.41714 
1 1 1 -4  18 8  o 446.2370 5.324676 2025.809       48.31814  2040.690       
85.29909  2018.778       58.63195  447.6073 9.371212 445.4017 6.473378 
2.205566       11.38966 
1 1 1 -4  18 9  o 575.7278 6.322292 3372.928       74.01900  3226.867       
124.4557  3452.869       92.07295  562.6788 10.87684 582.3900 7.774398 
-19.71112      13.36963 
1 1 1 -4  18 10 o 466.5048 5.606773 2214.327       53.18884  2289.643       
94.87146  2179.802       64.23315  474.0224 9.842044 462.7746 6.825560 
11.24780       11.97723 
1 1 1 -4  18 11 o 360.0389 5.141237 1318.962       37.64163  1374.504       
67.59219  1293.993       45.31947  367.2646 9.050364 356.5535 6.250413 
10.71109       10.99894 
1 1 1 -4  18 12 o 240.9143 5.214944 590.6781       25.54840  622.1669       
32.11454  536.3934       42.16598  247.1949 6.388673 229.3635 9.040374 
17.83141       11.06994 
1 1 1 -4  18 13 o 302.1156 5.200641 929.1757       31.95078  914.6515       
55.69535  936.3002       39.00784  299.3629 9.148914 303.1829 6.326971 
-3.820038      11.12354 
1 1 1 -4  18 14 o 81.84122 8.878223 69.21403       14.53879  62.69645       
20.86487  75.36523       20.26996  76.95377 13.84215 84.90094 12.08136 
-7.947174      18.37292 
1 1 1 -4  18 15 o 407.0558 4.857364 1687.689       40.20741  1706.374       
57.34349  1669.619       56.39217  408.9388 6.895638 404.5188 6.855334 
4.419922       9.723448 
1 1 1 -4  18 16 o 104.8291 7.354775 112.8212       15.57917  111.5869       
21.71633  114.1301       22.36242  103.7453 10.43515 104.8937 10.63062 
-1.148361      14.89639 
1 1 1 -4  18 17 o 178.1915 5.292111 323.7854       19.17641  327.0187       
26.95148  320.4702       27.29079  178.8298 7.411247 177.0069 7.581838 
1.822968       10.60240 
1 1 1 -4  18 18 o 90.88408 9.249903 85.69212       16.85701  93.22849       
23.44007  77.61938       24.25989  94.08782 12.56503 85.20284 14.52254 
8.884979       19.20375 
1 1 1 -4  18 19 o 162.7151 7.103795 271.0610       23.50550  362.1264       
42.48950  230.9010       28.21642  186.7921 11.23823 149.5283 9.326039 
37.26375       14.60386 
1 1 1 -4  18 20 o 146.9470 7.977918 222.2823       23.75041  205.6749       
30.30044  248.7428       38.24697  140.6464 10.67382 154.2149 12.29832 
-13.56851      16.28432 
1 1 1 -4  18 21 o 63.77760 14.47938 44.44534       18.34979  37.20120       
26.05691  51.57236       25.84542  59.04642 19.05904 68.08849 18.28131 
-9.042065      26.40934 
1 1 1 -4  18 22 o 36.17958 15.22859 3.205926       19.06959  -7.351913      
27.48349  13.00786       26.48137  38.68554 17.24409 45.83511 18.47030 
-7.149567      25.26877 
1 1 1 -4  18 23 o 90.97401 13.00884 90.06316       23.38093  67.66901       
29.04416  131.2971       39.41114  76.07953 18.86597 106.7706 18.84035 
-30.69106      26.66240 
1 1 1 -4  18 24 f 54.26904 18.69975 33.81593       25.01618  32.35402       
35.69964  35.22635       35.06533  55.69752 21.76385 56.77609 21.73383 
-1.078571      30.75751 
1 1 1 -4  19 1  o 551.4758 10.35451 3101.838       116.1201  0.000000       
0.000000  3101.838       116.1201  ?        ?        551.4758 10.35451 
0.000000       10.35451 
1 1 1 -4  19 2  o 514.2405 9.863556 2696.428       103.1457  0.000000       
0.000000  2696.428       103.1457  ?        ?        514.2405 9.863556 
0.000000       9.863556 
1 1 1 -4  19 3  o 301.9915 4.020042 927.7086       24.68748  964.0467       
42.28173  908.9124       30.40931  307.7195 6.756880 298.8787 5.003343 
8.840851       8.407667 
1 1 1 -4  19 4  o 105.2095 3.692081 112.5882       7.899097  128.5281       
11.71188  99.28680       10.69876  112.3912 5.124399 98.63384 5.354095 
13.75738       7.411194 
1 1 1 -4  19 5  o 211.5134 3.442802 455.0157       14.80817  465.7585       
21.19631  444.7737       20.69646  213.9638 4.871565 209.0882 4.867602 
4.875534       6.886632 
1 1 1 -4  19 6  o 529.8637 5.034849 2856.276       54.25028  2799.496       
75.74981  2916.067       77.73154  524.4210 7.103135 535.2247 7.141833 
-10.80371      10.07275 
1 1 1 -4  19 7  o 251.0769 4.354566 641.2207       22.23325  560.2518       
37.76906  684.1568       27.50352  234.5825 7.917520 259.3243 5.215472 
-24.74184      9.480942 
1 1 1 -4  19 8  o 344.4648 4.094710 1206.868       28.68266  1184.664       
40.40995  1229.413       40.71862  341.2215 5.823720 347.6090 5.760374 
-6.387512      8.191314 
1 1 1 -4  19 9  o 320.1302 4.092666 1042.391       26.64308  1035.885       
37.53408  1048.999       37.82561  319.0723 5.784758 321.0854 5.793139 
-2.013062      8.186811 
1 1 1 -4  19 10 o 514.5069 5.130459 2693.311       53.67830  2741.929       
76.97182  2647.279       74.89591  518.9576 7.293710 509.9283 7.222666 
9.029297       10.26475 
1 1 1 -4  19 11 o 595.3409 5.689985 3607.233       68.88557  3617.523       
97.77962  3597.094       97.06216  595.8975 8.069105 594.2177 8.032541 
1.679749       11.38561 
1 1 1 -4  19 12 o 290.8112 5.086325 860.7363       30.07922  845.4760       
36.73528  891.7825       52.39696  288.1483 6.269254 295.7289 8.712864 
-7.580566      10.73394 
1 1 1 -4  19 13 o 381.3016 5.438524 1480.468       42.16976  1497.948       
74.44491  1472.208       51.17118  382.9572 9.559459 380.1017 6.620247 
2.855530       11.62802 
1 1 1 -4  19 14 o 78.96890 9.448303 64.66690       14.87137  65.20968       
20.85928  64.10583       21.20764  78.54018 13.54994 77.78328 13.91873 
0.7568970      19.42504 
1 1 1 -4  19 15 o 221.2640 4.868987 498.7339       21.90790  498.9176       
31.28531  498.5572       30.68822  221.0859 6.958700 221.0219 6.827866 
0.6393433E-01  9.749013 
1 1 1 -4  19 16 o 109.7820 7.160116 123.6579       15.89712  125.9904       
22.51269  121.3381       22.45127  110.3219 10.14872 108.2140 10.32786 
2.107880       14.47968 
1 1 1 -4  19 17 o 92.37193 8.455361 88.14964       15.70646  73.64093       
21.56107  104.5539       22.92632  83.36069 13.15548 100.0599 11.47482 
-16.69926      17.45675 
1 1 1 -4  19 18 o 63.54151 12.91905 43.35963       16.12450  14.02721       
22.14138  76.48323       23.52879  44.40764 17.19871 84.60454 14.17745 
-40.19690      22.28892 
1 1 1 -4  19 19 o 133.3557 8.126539 183.1856       21.93266  181.9393       
37.70751  183.8229       26.96293  131.1286 14.37670 133.1413 10.03242 
-2.012665      17.53109 
1 1 1 -4  19 20 o 41.08760 17.47389 2.210301       25.53478  2.210301       
25.53478  0.000000       0.000000  41.08760 17.47389 ?        ?        
0.000000       17.47389 
1 1 1 -4  19 21 o 169.0632 7.991444 294.0114       27.47424  308.2306       
32.88234  261.1295       50.00391  172.4751 9.410856 155.9493 15.99405 
16.52579       18.55731 
1 1 1 -4  19 22 o 59.99807 15.29797 40.07613       18.72195  51.42747       
26.08701  28.01999       26.88468  67.26496 18.49583 53.33292 19.29262 
13.93204       26.72640 
1 1 1 -4  19 23 o 30.78239 13.93221 -7.937585      18.71791  22.11674       
26.66746  -37.12284      26.27906  49.28527 18.93278 29.65405 14.33441 
19.63122       23.74712 
1 1 1 -4  19 24 o 97.62204 11.74253 104.3455       22.84338  92.21699       
40.92241  109.8354       27.53216  83.44810 23.24990 98.69218 14.12101 
-15.24407      27.20222 
1 1 1 -4  20 1  o 154.3379 5.259951 242.3769       16.50843  237.6998       
23.67938  246.8000       23.02717  152.7788 7.621767 155.6868 7.273401 
-2.907928      10.53535 
1 1 1 -4  20 2  o 343.5069 5.691653 1200.816       39.75808  1327.476       
60.76117  1105.983       52.57573  360.9913 8.277094 329.5329 7.845760 
31.45840       11.40466 
1 1 1 -4  20 3  o 266.3226 4.855859 721.6241       26.29817  721.6241       
26.29817  0.000000       0.000000  266.3226 4.855859 ?        ?        
0.000000       4.855859 
1 1 1 -4  20 4  o 319.1860 5.260908 1036.607       34.14727  1036.607       
34.14727  0.000000       0.000000  319.1860 5.260908 ?        ?        
0.000000       5.260908 
1 1 1 -4  20 5  o 245.9974 3.492472 615.4710       17.47088  631.3329       
25.11216  600.5917       24.32191  249.1108 4.957240 242.9712 4.922565 
6.139603       6.986120 
1 1 1 -4  20 6  o 411.6154 4.306574 1723.383       36.04749  1733.234       
51.33709  1713.802       50.62802  412.7048 6.117025 410.3875 6.066601 
2.317322       8.615199 
1 1 1 -4  20 7  o 413.0163 5.064195 1735.362       42.53329  1815.458       
77.07021  1700.284       51.00372  422.1963 8.976783 408.7690 6.135818 
13.42728       10.87340 
1 1 1 -4  20 8  o 531.3196 5.136166 2871.953       55.49403  3057.458       
82.41427  2718.073       75.06094  548.0453 7.394937 516.7538 7.142971 
31.29150       10.28140 
1 1 1 -4  20 9  o 745.3549 6.634944 5654.469       100.5661  5564.111       
140.1973  5750.242       144.3371  739.0066 9.329100 751.2460 9.448097 
-12.23944      13.27775 
1 1 1 -4  20 10 o 404.4328 4.540984 1664.021       37.34632  1669.770       
52.87938  1658.299       52.75220  405.0171 6.420393 403.6230 6.427072 
1.394012       9.084530 
1 1 1 -4  20 11 o 547.1074 5.388135 3046.399       59.94631  3123.570       
86.48011  2975.022       83.17049  553.7175 7.680273 540.4058 7.568292 
13.31165       10.78265 
1 1 1 -4  20 12 o 239.8641 4.457814 585.4901       21.74396  568.7554       
30.83704  602.0385       30.66488  236.3041 6.417265 243.1340 6.202178 
-6.829895      8.924590 
1 1 1 -4  20 13 o 406.1598 6.733554 1681.533       55.61510  0.000000       
0.000000  1681.533       55.61510  ?        ?        406.1598 6.733554 
0.000000       6.733554 
1 1 1 -4  20 14 o 353.3426 4.633982 1271.368       33.29675  1306.648       
47.55995  1237.452       46.63120  357.9441 6.533934 348.3294 6.583169 
9.614685       9.275257 
1 1 1 -4  20 15 o 253.3419 4.634627 653.7940       23.87664  725.6765       
34.79399  589.8157       32.82529  266.6796 6.415981 240.3825 6.715127 
26.29703       9.287504 
1 1 1 -4  20 16 f 158.3281 5.537500 255.6740       17.82884  252.9272       
24.52962  258.7500       25.95860  157.2514 7.670876 158.8013 8.064994 
-1.549881      11.13043 
1 1 1 -4  20 17 o 150.6046 6.902458 231.8946       21.13944  244.3290       
25.74350  206.1519       37.04103  154.1952 8.239870 140.4202 13.12403 
13.77504       15.49631 
1 1 1 -4  20 18 o 188.9901 6.348802 365.1137       24.39958  378.0350       
29.58662  337.6431       43.13962  192.0879 7.574325 180.1858 11.83937 
11.90215       14.05493 
1 1 1 -4  20 19 o 163.8599 7.408355 275.2480       24.68572  243.8230       
40.71683  293.5125       31.04136  152.3243 13.27755 168.6276 9.085861 
-16.30328      16.08870 
1 1 1 -4  20 20 o 97.45237 10.81041 99.53651       21.06231  80.54899       
26.35725  133.0841       35.03454  86.11665 15.62636 111.1303 15.96101 
-25.01365      22.33690 
1 1 1 -4  20 21 o 184.6620 6.394675 349.4878       24.01305  349.1738       
34.27527  349.7905       33.65247  183.8112 9.169749 184.0305 8.992403 
-0.2192230     12.84319 
1 1 1 -4  20 22 o 205.4336 6.177176 433.3441       25.80553  406.3117       
35.42076  463.9223       37.67228  197.9287 8.800303 211.5155 8.758470 
-13.58681      12.41596 
1 1 1 -4  20 23 o 66.00129 14.42490 49.23951       18.81989  68.63708       
27.51879  32.19543       25.79541  76.41512 18.00480 54.12991 18.96952 
22.28520       26.15369 
1 1 1 -4  20 24 o 88.58355 12.92264 87.79079       22.59323  48.27099       
40.97736  105.0520       27.08150  62.15351 23.56530 96.10562 14.29218 
-33.95211      27.56066 
1 1 1 -4  21 1  o 386.0593 5.917219 1516.740       46.45399  1529.485       
66.24770  1504.412       65.15759  387.5043 8.407035 384.3207 8.337192 
3.183594       11.84006 
1 1 1 -4  21 2  o 553.0933 7.377704 3114.689       82.97955  3083.042       
116.5227  3147.252       118.1968  549.9009 10.42017 555.5917 10.46161 
-5.690735      14.76568 
1 1 1 -4  21 3  o 426.1494 4.265295 1847.319       36.96259  1830.539       
41.93567  1905.747       78.25279  424.1809 4.861620 432.5085 8.897209 
-8.327576      10.13882 
1 1 1 -4  21 4  o 302.3353 3.641423 929.6862       22.38780  946.3794       
32.05067  913.7805       31.28546  304.9888 5.167754 299.6912 5.133543 
5.297607       7.284158 
1 1 1 -4  21 5  o 134.7894 3.685676 184.7849       10.10239  174.6199       
14.24167  195.0801       14.33264  131.0073 5.345818 138.4740 5.089870 
-7.466705      7.381365 
1 1 1 -4  21 6  f 843.4457 7.277561 7241.625       124.8229  7424.216       
180.7298  7075.086       172.6031  853.4985 10.41300 833.2308 10.18666 
20.26764       14.56703 
1 1 1 -4  21 7  o 675.6380 7.038417 4646.397       96.70313  4859.929       
175.1852  4552.818       115.9732  690.1940 12.48173 668.6314 8.529416 
21.56262       15.11769 
1 1 1 -4  21 8  o 441.5190 4.638257 1983.046       41.64430  2315.350       
65.27697  1754.975       54.07880  476.9511 6.730304 415.2620 6.404031 
61.68912       9.290243 
1 1 1 -4  21 9  o 116.5232 5.304035 138.1527       12.56811  126.2216       
17.67265  150.3615       17.87710  111.0517 7.876835 121.3068 7.280724 
-10.25510      10.72630 
1 1 1 -4  21 10 o 588.6127 5.606977 3526.103       67.11349  3617.328       
96.86340  3441.874       93.07549  595.8848 7.993666 581.2706 7.874184 
14.61420       11.22058 
1 1 1 -4  21 11 o 381.4104 4.564865 1480.281       35.40559  1480.365       
50.14935  1480.199       49.99314  381.2717 6.468139 381.2521 6.448321 
0.1953125E-01  9.133327 
1 1 1 -4  21 12 o 104.2327 6.733343 111.1651       14.19574  100.8894       
20.36331  120.8803       19.80014  98.83583 10.28223 108.4479 9.061353 
-9.612022      13.70519 
1 1 1 -4  21 13 o 317.7701 6.403094 1029.309       41.37656  0.000000       
0.000000  1029.309       41.37656  ?        ?        317.7701 6.403094 
0.000000       6.403094 
1 1 1 -4  21 14 o 231.6897 5.404470 547.0325       25.46310  517.2448       
30.41305  616.8607       46.56479  225.1640 6.642164 245.4873 9.327754 
-20.32329      11.45100 
1 1 1 -4  21 15 f 217.0560 5.638523 480.4505       24.88792  490.8242       
30.29317  458.9075       43.65465  219.2406 6.794731 211.4355 10.15316 
7.805099       12.21700 
1 1 1 -4  21 16 o 98.11701 7.608310 99.07460       15.06172  98.36230       
20.53020  99.90482       22.16454  97.22431 10.55353 97.81905 11.35369 
-0.5947342     15.50107 
1 1 1 -4  21 17 o 75.88341 9.999647 60.25119       15.05477  48.77404       
21.39664  71.50375       21.18624  66.92934 15.94767 82.03323 13.14407 
-15.10389      20.66627 
1 1 1 -4  21 18 o 197.6742 6.253792 399.4958       25.13881  399.2505       
30.49625  400.0160       44.40567  197.3555 7.598811 196.3257 11.16886 
1.029846       13.50871 
1 1 1 -4  21 19 o 148.0277 7.645559 225.4197       22.93604  179.4080       
38.60048  250.5303       28.51590  129.8400 14.88861 155.7229 9.043947 
-25.88287      17.42021 
1 1 1 -4  21 20 o 34.52956 14.92535 -1.125463      19.20287  -19.16028      
24.39667  28.24267       31.13242  32.89669 15.26032 55.72712 20.66178 
-22.83043      25.68631 
1 1 1 -4  21 21 o 20.87811 10.43524 -48.76483      18.35860  -77.21059      
25.75999  -19.40446      26.17085  23.54276 11.84895 34.15859 15.83147 
-10.61583      19.77455 
1 1 1 -4  21 22 o 117.7971 9.921819 145.9262       23.54587  134.6004       
40.13315  151.8708       29.07584  108.6303 18.85136 119.2199 12.16349 
-10.58955      22.43489 
1 1 1 -4  21 23 o 72.47771 14.98391 59.89143       21.35461  60.33041       
37.12593  59.67438       26.10533  69.39392 22.77295 70.82211 18.06793 
-1.428192      29.06987 
1 1 1 -4  21 24 o 75.44496 14.66896 66.10098       21.69465  21.58360       
37.12556  89.18526       26.73416  50.81504 21.31120 87.22656 15.64673 
-36.41153      26.43837 
1 1 1 -4  22 1  o 673.7632 8.567370 4623.804       117.3833  4715.833       
168.9936  4538.009       163.1696  679.8171 12.22438 666.9139 12.03145 
12.90314       17.15200 
1 1 1 -4  22 2  o 212.0617 5.168614 457.5350       22.28885  480.1578       
32.26287  436.8791       30.82843  217.1717 7.305473 207.1528 7.318281 
10.01886       10.34056 
1 1 1 -4  22 3  o 119.2872 4.042747 144.7363       9.806676  143.2937       
11.18698  149.5244       20.37996  118.6839 4.635210 120.8814 8.341776 
-2.197433      9.543081 
1 1 1 -4  22 4  o 543.1793 5.078942 3001.695       56.10065  2997.667       
79.27512  3005.737       79.40162  542.6528 7.183951 543.3826 7.185751 
-0.7297974     10.16091 
1 1 1 -4  22 5  o 508.1002 4.874241 2626.345       50.36256  2660.949       
72.00795  2593.209       70.46397  511.2976 6.925566 504.7523 6.864951 
6.545288       9.751462 
1 1 1 -4  22 6  o 441.5257 4.506345 1983.034       40.46056  1966.477       
56.93003  1999.933       57.51419  439.5793 6.368729 443.3021 6.380045 
-3.722809      9.014749 
1 1 1 -4  22 7  o 443.4187 5.301724 2000.457       47.80601  2045.690       
85.23361  1979.696       57.74400  448.0990 9.353744 441.0443 6.438331 
7.054749       11.35538 
1 1 1 -4  22 8  o 437.8431 4.600229 1950.236       40.95901  1986.218       
58.57470  1915.808       57.29604  441.7464 6.520570 433.8479 6.494349 
7.898560       9.202957 
1 1 1 -4  22 9  o 435.1660 4.660336 1926.642       41.24047  1888.910       
57.47954  1966.673       59.20437  430.7523 6.561970 439.5245 6.623984 
-8.772186      9.323980 
1 1 1 -4  22 10 o 178.5729 5.300067 324.5398       19.24635  310.9287       
22.86943  357.5818       35.63218  174.7486 6.435618 187.2538 9.357514 
-12.50516      11.35695 
1 1 1 -4  22 11 o 307.7095 5.021144 963.7516       31.41920  986.6147       
39.00613  921.5112       53.01887  311.2543 6.162630 300.5739 8.674168 
10.68042       10.64045 
1 1 1 -4  22 12 o 248.3808 5.163493 628.1771       26.08032  646.4329       
32.35578  594.3161       44.06578  251.8742 6.317086 241.2427 8.982471 
10.63147       10.98136 
1 1 1 -4  22 13 o 437.3222 6.908573 1950.943       61.43859  0.000000       
0.000000  1950.943       61.43859  ?        ?        437.3222 6.908573 
0.000000       6.908573 
1 1 1 -4  22 14 o 152.4194 5.415498 236.7965       16.78535  276.9629       
24.62578  201.9415       22.93991  164.6689 7.354055 140.3154 8.073661 
24.35350       10.92090 
1 1 1 -4  22 15 o 232.4332 6.546139 551.6705       30.94104  551.6705       
30.94104  0.000000       0.000000  232.4332 6.546139 ?        ?        
0.000000       6.546139 
1 1 1 -4  22 16 o 91.14844 7.865545 85.69077       14.43627  75.29868       
19.87081  97.30703       21.00862  84.59002 11.87912 96.58712 10.88597 
-11.99710      16.11266 
1 1 1 -4  22 17 o 129.7932 6.415236 172.2100       16.93230  185.7339       
24.19628  159.2318       23.70311  134.1723 8.918980 124.0681 9.466379 
10.10413       13.00617 
1 1 1 -4  22 18 o 185.2120 6.691451 351.1191       25.20234  321.5418       
29.06688  440.6943       50.58406  176.9712 8.076894 205.5979 12.15283 
-28.62665      14.59204 
1 1 1 -4  22 19 o 87.06654 10.15132 79.38326       17.63576  92.46962       
25.51050  67.40405       24.40750  92.97163 13.92158 78.54497 15.82797 
14.42666       21.07925 
1 1 1 -4  22 20 o 137.4107 9.703485 196.2044       26.94009  188.2675       
38.77354  203.6119       37.45855  132.8092 14.59761 138.6497 13.45497 
-5.840546      19.85262 
1 1 1 -4  22 21 o 50.87926 16.29249 27.66600       19.07012  13.74904       
26.77334  41.99784       27.16947  46.30197 18.60230 61.53792 19.41970 
-15.23595      26.89182 
1 1 1 -4  22 22 o 59.93388 14.94591 40.45763       18.15363  48.42010       
25.10839  31.73623       26.27773  64.69994 18.27744 54.55411 19.14448 
10.14582       26.46839 
1 1 1 -4  22 23 o 86.60600 10.62154 81.01691       18.31416  58.85773       
25.92393  103.0949       25.87639  69.95912 18.08870 96.16262 13.61292 
-26.20350      22.63875 
1 1 1 -4  23 1  f 202.9149 5.243806 418.9191       21.63774  432.1690       
31.17911  406.6093       30.05273  206.0313 7.441821 199.8474 7.394929 
6.183853       10.49122 
1 1 1 -4  23 2  o 308.0107 5.467877 965.2928       34.24807  967.0213       
48.49792  963.5735       48.37048  308.1776 7.738748 307.6281 7.732199 
0.5494690      10.93961 
1 1 1 -4  23 3  f 61.91093 4.543635 39.20091       5.680393  39.88240       
6.009220  33.48024       17.41055  62.43098 4.769413 56.25485 14.96016 
6.176136       15.70203 
1 1 1 -4  23 4  o 130.8656 3.656446 174.1835       9.730522  184.8505       
13.67879  163.2561       13.84478  134.7952 4.990245 126.6715 5.374721 
8.123749       7.334178 
1 1 1 -4  23 5  o 473.8738 6.607854 2285.517       63.67583  2285.517       
63.67583  0.000000       0.000000  473.8738 6.607854 ?        ?        
0.000000       6.607854 
1 1 1 -4  23 6  o 734.8744 7.482226 5498.180       111.8138  5431.702       
135.7798  5638.247       197.0892  730.1814 9.144353 743.1812 13.04118 
-12.99982      15.92769 
1 1 1 -4  23 7  o 198.1960 5.532725 399.7071       22.29900  369.8203       
32.31212  426.8840       30.81241  190.5502 8.338822 204.7617 7.399895 
-14.21147      11.14874 
1 1 1 -4  23 8  o 381.5080 4.996101 1480.914       38.76023  1634.067       
50.42887  1259.826       60.58979  400.6758 6.189202 351.6509 8.472982 
49.02487       10.49274 
1 1 1 -4  23 9  o 407.1133 4.540734 1686.319       37.59177  1657.991       
52.52769  1716.060       53.82149  403.5474 6.400919 410.5495 6.446719 
-7.002167      9.084710 
1 1 1 -4  23 10 o 128.2888 5.480155 167.5331       14.29661  156.8714       
20.06694  178.5231       20.37347  123.8014 8.013831 132.1407 7.614117 
-8.339333      11.05424 
1 1 1 -4  23 11 o 283.3310 5.043148 817.2247       29.05676  802.4818       
35.37532  847.7991       50.94333  280.6760 6.197888 288.2350 8.691389 
-7.559021      10.67493 
1 1 1 -4  23 12 o 383.0263 4.616326 1493.629       35.95643  1518.828       
51.55030  1469.753       50.17763  385.9875 6.567596 379.7109 6.498387 
6.276611       9.239175 
1 1 1 -4  23 13 o 115.3908 8.803824 136.9601       20.50237  0.000000       
0.000000  136.9601       20.50237  ?        ?        115.3908 8.803824 
0.000000       8.803824 
1 1 1 -4  23 14 o 138.5841 5.713652 195.8630       16.10195  191.0512       
22.82673  200.6286       22.71687  136.4021 8.268503 139.8305 8.022614 
-3.428406      11.52087 
1 1 1 -4  23 15 o 197.9330 4.933940 399.3892       19.85928  402.3945       
27.25872  395.9896       28.99186  198.4493 6.754674 196.7912 7.244674 
1.658096       9.905096 
1 1 1 -4  23 16 o 59.88019 11.93513 38.34885       14.02312  40.20972       
19.76372  36.46217       19.90036  60.84035 15.82479 58.09021 16.22339 
2.750141       22.66324 
1 1 1 -4  23 17 f 119.2625 8.107211 146.6022       19.54522  123.8949       
32.79360  159.1123       24.34089  107.6339 15.42352 123.9099 9.738507 
-16.27595      18.24071 
1 1 1 -4  23 18 o 190.5143 7.819040 372.6095       30.29232  361.6791       
40.85385  385.9576       45.14673  186.5915 10.81323 192.4722 11.58875 
-5.880707      15.85008 
1 1 1 -4  23 19 o 74.89585 11.87170 59.73693       17.47794  44.15014       
24.86168  74.96744       24.57589  63.27913 18.28916 83.10204 15.09889 
-19.82290      23.71644 
1 1 1 -4  23 20 o 38.17785 15.63512 6.580203       19.33776  -15.72768      
24.91319  40.39205       30.67147  34.22036 15.71038 61.56538 20.71404 
-27.34501      25.99783 
1 1 1 -4  23 21 f 130.7363 7.927840 177.1040       20.97711  173.8423       
29.06176  180.6518       30.30982  128.3173 11.25104 130.7071 11.52119 
-2.389832      16.10353 
1 1 1 -4  23 22 o 136.5531 7.509467 193.7564       20.77256  192.0854       
28.68663  195.5985       30.11938  134.5619 10.56851 135.5495 11.02236 
-0.9875946     15.27042 
1 1 1 -4  23 23 o 28.33163 13.03894 -10.02247      17.30546  -46.65103      
24.56686  26.05520       24.38142  26.18953 12.91018 49.41479 18.29207 
-23.22527      22.38912 
1 1 1 -4  24 1  o 365.4680 8.314167 1360.326       61.79019  1360.326       
61.79019  0.000000       0.000000  365.4680 8.314167 ?        ?        
0.000000       8.314167 
1 1 1 -4  24 2  o 438.4797 9.084568 1958.753       81.00377  1958.753       
81.00377  0.000000       0.000000  438.4797 9.084568 ?        ?        
0.000000       9.084568 
1 1 1 -4  24 3  o 564.0284 5.965557 3237.378       68.42319  3237.378       
68.42319  0.000000       0.000000  564.0284 5.965557 ?        ?        
0.000000       5.965557 
1 1 1 -4  24 4  o 102.0134 4.161790 105.8563       8.633540  84.05393       
11.43155  134.8025       13.17191  90.66521 6.238269 115.0994 5.627612 
-24.43420      8.401548 
1 1 1 -4  24 5  o 129.9226 3.990468 171.6957       10.54289  190.5703       
15.02240  153.3761       14.79990  136.8556 5.397908 122.7671 5.928236 
14.08850       8.017568 
1 1 1 -4  24 6  o 387.2367 4.234696 1525.362       33.34649  1540.766       
47.49159  1510.382       46.83343  389.0974 6.002152 385.2431 5.978188 
3.854218       8.471396 
1 1 1 -4  24 7  o 262.8267 8.255159 703.6910       44.12111  703.6910       
44.12111  0.000000       0.000000  262.8267 8.255159 ?        ?        
0.000000       8.255159 
1 1 1 -4  24 8  o 401.0532 4.457446 1636.422       36.35293  1736.359       
53.18832  1548.812       49.80037  412.9872 6.333274 390.0504 6.278565 
22.93680       8.918001 
1 1 1 -4  24 9  o 647.3653 5.981917 4266.645       78.74831  4159.472       
109.1318  4383.071       113.7453  638.7785 8.401360 655.6970 8.530583 
-16.91846      11.97304 
1 1 1 -4  24 10 o 441.8471 6.781207 1989.035       60.92989  1989.035       
60.92989  0.000000       0.000000  441.8471 6.781207 ?        ?        
0.000000       6.781207 
1 1 1 -4  24 11 o 182.2585 5.462764 338.3058       20.24657  350.3461       
25.22654  316.5107       33.94053  185.3974 6.691180 175.7406 9.532852 
9.656769       11.64677 
1 1 1 -4  24 12 o 329.5174 4.441063 1105.524       29.75889  1149.457       
43.06257  1065.364       41.17192  335.7695 6.306775 323.2599 6.263222 
12.50955       8.888383 
1 1 1 -4  24 13 o 203.7213 6.505980 423.4896       26.95260  0.000000       
0.000000  423.4896       26.95260  ?        ?        203.7213 6.505980 
0.000000       6.505980 
1 1 1 -4  24 14 o 80.39669 9.621429 67.24967       15.41753  126.9006       
27.60578  40.20997       18.58627  110.1722 12.54560 61.01155 15.06941 
49.16066       19.60814 
1 1 1 -4  24 15 o 286.6306 5.272274 838.0347       30.73067  837.6221       
52.48740  838.2500       37.90717  285.6741 9.035097 286.4269 6.508128 
-0.7528687     11.13502 
1 1 1 -4  24 16 o 123.3040 6.401803 155.8297       15.99684  178.3132       
22.96635  134.6424       22.29450  131.5124 8.635627 113.9743 9.711853 
17.53809       12.99593 
1 1 1 -4  24 17 o 191.9736 5.250679 376.2614       20.49786  389.6062       
28.96441  362.8725       29.01235  194.9745 7.305254 188.1084 7.584436 
6.866104       10.53045 
1 1 1 -4  24 18 o 173.6934 6.943846 309.2264       24.52646  333.8643       
30.15090  261.0331       42.16883  180.1893 8.228486 157.4053 13.29857 
22.78400       15.63841 
1 1 1 -4  24 19 o 90.60822 10.19566 86.05162       18.45965  98.54691       
26.79338  74.76130       25.46873  95.80152 14.18166 82.70403 15.71821 
13.09750       21.17030 
1 1 1 -4  24 20 o 94.75953 11.33095 94.97675       21.40132  135.4992       
28.19808  39.92157       32.86781  112.9850 12.48130 61.60648 21.42259 
51.37856       24.79335 
1 1 1 -4  24 21 o 69.37720 13.66103 52.96048       18.58718  56.01364       
26.39101  49.95533       26.18270  69.82488 18.34723 65.98250 18.67297 
3.842384       26.17824 
1 1 1 -4  24 22 o 101.9318 9.213198 109.7970       18.89086  104.4013       
25.92845  115.9016       27.57933  97.35583 13.45649 102.5960 13.55069 
-5.240143      19.09708 
1 1 1 -4  24 23 o 66.58926 13.80705 50.95479       18.08276  52.62342       
25.84415  49.35443       25.30999  65.08879 18.59790 63.11947 18.51416 
1.969322       26.24226 
1 1 1 -4  25 1  o 499.4616 6.963769 2539.582       70.72907  2657.985       
103.7626  2436.821       96.66605  510.6385 9.992540 488.9659 9.721739 
21.67252       13.94142 
1 1 1 -4  25 2  o 325.2650 5.676615 1076.590       37.54726  1035.824       
52.39101  1119.639       53.83823  318.9142 8.078515 331.5721 7.984750 
-12.65796      11.35864 
1 1 1 -4  25 3  o 197.9626 3.326435 398.5745       13.39102  402.1765       
14.82680  382.6322       31.19283  198.8491 3.666675 193.8364 7.913490 
5.012680       8.721687 
1 1 1 -4  25 4  o 312.9622 3.751468 996.2367       23.87506  985.8895       
26.92028  1034.367       51.67765  311.3167 4.252319 318.6922 7.974067 
-7.375580      9.037033 
1 1 1 -4  25 5  o 176.9489 3.763004 318.4791       13.54048  320.0610       
19.06115  316.8676       19.23833  177.3553 5.285103 176.4664 5.361100 
0.8888855      7.528194 
1 1 1 -4  25 6  o 403.1643 4.347753 1653.558       35.64498  1677.572       
50.93277  1630.506       49.90226  405.9705 6.169520 400.2377 6.131274 
5.732819       8.698017 
1 1 1 -4  25 7  o 225.9298 4.660267 519.3549       21.41094  551.6539       
39.56959  505.9832       25.46009  232.6733 8.363028 222.9680 5.615210 
9.705292       10.07327 
1 1 1 -4  25 8  o 537.1050 7.394410 2938.899       80.76331  2938.899       
80.76331  0.000000       0.000000  537.1050 7.394410 ?        ?        
0.000000       7.394410 
1 1 1 -4  25 9  o 251.9525 4.206491 645.9205       21.55213  619.7222       
29.95720  674.0283       31.02971  246.6978 5.971514 257.2825 5.930838 
-10.58469      8.416283 
1 1 1 -4  25 10 o 126.8013 5.597818 163.7419       14.43425  149.6650       
20.47084  177.6611       20.35586  120.8217 8.383682 131.7725 7.629135 
-10.95076      11.33533 
1 1 1 -4  25 11 o 378.3637 6.324743 1459.256       48.66355  1517.871       
70.36406  1405.515       67.37453  385.3973 8.978230 370.8685 8.933557 
14.52887       12.66559 
1 1 1 -4  25 12 o 344.6996 5.137521 1210.574       36.01188  1242.644       
62.79105  1194.855       43.96023  348.5334 8.859351 342.2755 6.315863 
6.257874       10.88018 
1 1 1 -4  25 13 o 261.5073 5.215603 697.0927       27.73574  638.2151       
49.51607  724.0115       33.48108  249.4305 9.762142 266.3722 6.181004 
-16.94168      11.55440 
1 1 1 -4  25 14 o 140.9086 5.500621 202.5503       15.76162  219.8634       
22.60609  186.1720       21.98738  146.3908 7.620152 134.5995 8.070262 
11.79129       11.09936 
1 1 1 -4  25 15 o 238.1327 4.626228 578.1146       22.40256  612.5195       
32.25017  546.0319       31.14284  244.8042 6.478310 231.1084 6.626605 
13.69579       9.267167 
1 1 1 -4  25 16 o 223.6094 4.843973 510.0733       22.02639  534.7383       
31.13910  485.3736       31.16095  228.6093 6.698239 217.7308 7.037840 
10.87856       9.715843 
1 1 1 -4  25 17 o 111.4437 7.334440 127.9016       16.52876  127.6910       
23.22268  128.1177       23.53077  110.6382 10.44541 110.7896 10.57278 
-0.1514282     14.86238 
1 1 1 -4  25 18 o 92.91653 10.70128 90.66195       19.85051  102.1676       
23.97618  65.58820       35.39443  98.24310 12.26870 76.05159 21.77618 
22.19151       24.99446 
1 1 1 -4  25 19 o 136.9172 8.027420 193.6026       22.25270  202.8159       
38.26078  188.8929       27.35526  138.1152 13.80765 134.6422 10.06375 
3.473038       17.08596 
1 1 1 -4  25 20 o 86.41169 11.90003 79.68409       20.35620  89.60819       
26.53626  65.49387       31.73135  90.58923 14.92481 75.44110 20.25664 
15.14812       25.16111 
1 1 1 -4  25 21 o 121.3004 8.091829 153.1620       19.84545  158.0737       
28.28018  148.3965       27.85604  121.8022 11.55595 117.8815 11.77809 
3.920677       16.50040 
1 1 1 -4  25 22 o 75.24512 12.17856 62.36509       17.99809  59.39638       
24.83397  65.64950       26.12107  70.84444 17.37124 74.46024 17.53985 
-3.615807      24.68616 
1 1 1 -4  25 23 o 51.47968 15.50619 31.43033       17.56945  26.59227       
25.66703  35.69595       24.10077  49.28289 18.65882 54.20778 18.36109 
-4.924881      26.17788 
1 1 1 -4  26 1  o 43.44984 13.73766 18.98251       13.59135  24.53756       
18.93711  13.08131       19.51820  49.87395 16.25940 42.73626 16.24928 
7.137688       22.98711 
1 1 1 -4  26 2  o 546.7800 7.404169 3044.414       82.32664  3066.923       
117.3748  3022.618       115.5026  548.3746 10.52559 544.4138 10.43305 
3.960815       14.82014 
1 1 1 -4  26 3  o 246.7993 4.106966 619.6017       20.61182  605.9345       
24.17483  655.9888       39.44547  244.0389 4.871391 253.7964 7.642938 
-9.757492      9.063385 
1 1 1 -4  26 4  f 108.1008 4.120689 118.8747       9.058372  121.2993       
9.896989  106.3595       22.48566  109.1932 4.457139 101.5034 11.07331 
7.689796       11.93668 
1 1 1 -4  26 5  o 206.4897 3.762841 433.7133       15.80031  437.1334       
22.15633  430.1743       22.53861  207.2603 5.256907 205.5995 5.390804 
1.660782       7.529664 
1 1 1 -4  26 6  o 486.8076 4.847794 2411.385       47.99025  2506.373       
70.09830  2327.590       65.83871  496.1042 6.948372 478.1018 6.771884 
18.00247       9.702489 
1 1 1 -4  26 7  o 367.8538 6.023084 1377.641       45.05527  0.000000       
0.000000  1377.641       45.05527  ?        ?        367.8538 6.023084 
0.000000       6.023084 
1 1 1 -4  26 8  o 416.0597 6.374055 1763.003       53.92906  1789.972       
76.08638  1735.776       76.44933  418.8955 8.932022 412.4775 9.114272 
6.417969       12.76131 
1 1 1 -4  26 9  o 464.7083 4.919233 2198.308       46.48676  2105.850       
64.77827  2296.482       66.75050  454.5584 7.007907 474.7020 6.914839 
-20.14359      9.845088 
1 1 1 -4  26 10 o 407.9973 4.648983 1694.678       38.57151  1625.649       
53.38277  1770.082       55.79377  399.3485 6.573514 416.7097 6.584166 
-17.36111      9.303888 
1 1 1 -4  26 11 o 60.38927 10.69070 38.47372       12.64812  41.12207       
18.13085  35.96313       17.65299  61.90326 14.63388 57.92612 14.90103 
3.977135       20.88519 
1 1 1 -4  26 12 f 217.0553 6.305983 480.6868       27.83393  0.000000       
0.000000  480.6868       27.83393  ?        ?        217.0553 6.305983 
0.000000       6.305983 
1 1 1 -4  26 13 o 244.9781 5.151032 611.8735       25.66096  563.8463       
44.18193  636.3217       31.52279  234.4534 9.266948 249.6702 6.208783 
-15.21681      11.15461 
1 1 1 -4  26 14 o 232.3179 4.650240 550.1775       21.96896  578.6890       
31.47508  523.0920       30.67786  237.9697 6.504200 226.2207 6.668701 
11.74898       9.315373 
1 1 1 -4  26 15 o 156.6654 5.452662 250.5490       17.37133  298.2437       
25.11371  206.7942       24.05408  170.6704 7.236045 141.7062 8.384653 
28.96420       11.07532 
1 1 1 -4  26 16 o 222.8848 4.881730 506.9280       22.12614  512.7980       
31.22249  501.0062       31.36013  223.7796 6.861131 221.1660 6.972812 
2.613556       9.782394 
1 1 1 -4  26 17 o 208.2775 5.193229 443.1017       21.99537  449.7813       
30.58055  435.9424       31.65981  209.4036 7.181410 206.0608 7.555471 
3.342834       10.42390 
1 1 1 -4  26 18 o 188.0758 5.656239 361.8068       21.63276  352.8242       
29.99897  371.5382       31.22451  185.1858 7.966127 190.0011 8.081430 
-4.815247      11.34763 
1 1 1 -4  26 19 o 182.8550 6.874349 343.2719       25.56171  329.9393       
43.18219  350.4637       31.71528  177.1331 12.05997 184.3038 8.462194 
-7.170685      14.73268 
1 1 1 -4  26 20 f 74.04085 13.91953 60.08408       20.18853  55.56411       
26.65027  66.17089       30.92635  69.73293 18.49201 75.63654 19.85498 
-5.903610      27.13254 
1 1 1 -4  26 21 o 115.6417 8.206247 139.6479       19.17261  170.4785       
27.29568  109.6239       26.93623  126.7127 10.69297 100.0840 13.58605 
26.62869       17.28932 
1 1 1 -4  26 22 o 36.16385 14.69867 8.268056       16.92878  10.00561       
23.71979  6.464167       24.16831  41.25637 17.14657 40.00632 17.00664 
1.250050       24.15018 
1 1 1 -4  26 23 f 39.26276 15.25693 14.20430       17.46903  45.48372       
24.74671  -16.86482      24.66338  59.79693 18.48081 31.95745 14.99402 
27.83948       23.79834 
1 1 1 -4  27 1  o 328.0290 5.843836 1095.251       38.98178  1219.545       
58.70871  997.2438       52.13248  345.9485 8.345256 312.8458 8.194578 
33.10272       11.69591 
1 1 1 -4  27 2  o 276.9905 5.039431 780.7195       28.38558  844.7427       
37.92101  699.1297       42.80842  288.0500 6.473820 261.9577 8.036123 
26.09225       10.31938 
1 1 1 -4  27 3  o 395.9843 8.768414 1598.184       70.60744  0.000000       
0.000000  1598.184       70.60744  ?        ?        395.9843 8.768414 
0.000000       8.768414 
1 1 1 -4  27 4  o 305.4185 4.244911 948.9999       26.36424  952.0851       
31.07349  941.0718       49.81165  305.8801 4.995597 303.9084 8.060031 
1.971619       9.482620 
1 1 1 -4  27 5  o 304.4380 5.586216 943.3733       34.58342  943.3733       
34.58342  0.000000       0.000000  304.4380 5.586216 ?        ?        
0.000000       5.586216 
1 1 1 -4  27 6  o 195.2141 4.035774 387.7093       16.02099  389.9521       
22.56788  385.4306       22.74739  195.7203 5.670266 194.5791 5.748889 
1.141235       8.074754 
1 1 1 -4  27 7  o 378.4303 5.053313 1457.643       38.88782  1512.034       
70.59975  1433.954       46.59324  384.9830 9.017999 375.2516 6.105889 
9.731354       10.89065 
1 1 1 -4  27 8  o 197.7668 4.889449 398.1248       19.66368  431.6404       
24.64821  339.4526       32.61202  205.8706 5.887616 182.3836 8.793069 
23.48701       10.58216 
1 1 1 -4  27 9  o 277.3467 4.253010 782.9066       23.98672  770.3199       
33.64437  795.9178       34.20732  274.9680 6.016983 279.4992 6.018484 
-4.531128      8.510360 
1 1 1 -4  27 10 o 402.4608 5.347168 1650.102       43.76217  1658.174       
53.94341  1634.563       74.84748  403.2434 6.578391 399.8012 9.206226 
3.442169       11.31503 
1 1 1 -4  27 11 o 84.59606 7.493940 73.66525       12.75832  72.07558       
18.03464  75.25787       18.05136  83.09367 10.93892 84.98797 10.68073 
-1.894295      15.28849 
1 1 1 -4  27 12 o 235.7867 5.059806 566.6845       24.26077  625.8472       
42.37069  537.8268       29.59186  247.2447 8.427274 229.5421 6.339550 
17.70256       10.54556 
1 1 1 -4  27 13 o 71.20146 11.40512 53.55438       15.95614  81.29678       
28.08088  40.32593       19.39069  86.75764 16.52002 60.99231 15.57819 
25.76533       22.70663 
1 1 1 -4  27 14 o 79.93036 9.897788 66.74138       15.74396  55.53960       
19.34718  88.70105       27.08863  71.91485 13.73045 90.94482 15.18256 
-19.02998      20.47035 
1 1 1 -4  27 15 o 254.5277 4.650127 660.7647       24.06862  619.0457       
33.07212  707.7411       35.09415  245.9703 6.611924 263.0143 6.561513 
-17.04395      9.315095 
1 1 1 -4  27 16 o 157.3693 5.579756 253.0838       17.85611  261.4615       
24.58528  243.7310       25.97683  159.6129 7.574534 153.7366 8.340376 
5.876251       11.26656 
1 1 1 -4  27 17 o 106.2347 7.746311 116.6020       16.61918  111.0248       
22.89855  122.8095       24.15815  102.7796 11.13395 108.1496 11.14431 
-5.369995      15.75311 
1 1 1 -4  27 18 o 126.4169 7.269555 164.7113       18.60937  160.5792       
26.04292  169.0225       26.60120  123.9366 10.43026 127.1925 10.37501 
-3.255852      14.71160 
1 1 1 -4  27 19 o 43.67559 16.25764 16.65627       19.31259  19.28111       
32.13661  15.17245       24.16235  51.54136 20.49031 45.54226 17.87385 
5.999100       27.19057 
1 1 1 -4  27 20 o 44.10361 16.24350 17.95617       19.18154  -18.51799      
24.82446  71.99883       30.21728  33.00787 15.33977 78.86883 19.05402 
-45.86095      24.46148 
1 1 1 -4  27 21 o 113.0326 8.634344 134.1885       19.69639  110.5473       
27.14979  160.4556       28.61795  100.1353 13.69174 122.1193 11.66591 
-21.98402      17.98769 
1 1 1 -4  27 22 o 44.14083 15.56616 21.04166       17.38805  42.03207       
24.27262  -1.085211      24.92104  58.62759 18.33326 37.33881 16.54422 
21.28878       24.69452 
1 1 1 -4  28 1  o 67.90588 12.00960 48.51477       15.97722  14.86195       
22.34361  83.72719       22.85548  45.58255 17.37271 89.56918 12.92195 
-43.98663      21.65151 
1 1 1 -4  28 2  o 494.5197 4.765847 2488.521       47.92643  2514.977       
55.29663  2408.646       96.08279  497.0773 5.470454 485.8947 9.724158 
11.18256       11.15729 
1 1 1 -4  28 3  o 395.0019 4.175893 1587.426       33.54285  1574.507       
37.96840  1633.358       71.58990  393.3550 4.746638 400.2426 8.795835 
-6.887543      9.994864 
1 1 1 -4  28 4  o 200.1536 3.590828 407.5280       14.61536  417.0716       
16.39515  370.5919       32.25420  202.4725 3.981969 190.6675 8.318753 
11.80499       9.222675 
1 1 1 -4  28 5  o 321.4025 3.919132 1050.953       25.61477  1068.369       
29.46545  997.0776       51.82475  324.0249 4.471809 312.7408 8.148942 
11.28412       9.295285 
1 1 1 -4  28 6  o 188.8134 4.068511 362.7408       15.62139  351.2260       
21.66078  375.2205       22.55001  185.7272 5.735181 191.9645 5.776628 
-6.237335      8.140131 
1 1 1 -4  28 7  o 185.8250 4.272615 351.4070       16.14542  353.3289       
22.81336  349.4784       22.85282  186.2518 6.023340 185.2318 6.066982 
1.020004       8.549204 
1 1 1 -4  28 8  o 94.79276 7.301499 92.17303       13.96633  104.3213       
17.43750  70.43490       23.32586  100.7231 8.595700 81.55638 14.60077 
19.16670       16.94310 
1 1 1 -4  28 9  o 350.6044 4.377798 1251.418       31.21221  1210.646       
43.65187  1294.069       44.64639  344.6238 6.228826 356.3093 6.161801 
-11.68552      8.761624 
1 1 1 -4  28 10 o 250.4136 5.047303 638.8575       25.70210  586.4017       
30.45907  768.5648       47.89632  239.7858 6.246572 274.1423 8.591613 
-34.35654      10.62241 
1 1 1 -4  28 11 o 45.90939 12.71067 22.40792       12.27138  13.61135       
17.69342  30.56110       17.03407  41.48748 15.53789 53.51395 15.03241 
-12.02647      21.61942 
1 1 1 -4  28 12 o 117.4876 6.584446 141.4453       15.66786  162.6127       
26.31342  129.8185       19.50182  125.3095 10.42074 112.2213 8.611389 
13.08824       13.51843 
1 1 1 -4  28 13 o 231.9722 5.252759 549.0157       24.77848  576.3154       
43.83931  536.2004       30.03649  236.8579 9.101740 229.0498 6.448638 
7.808136       11.15467 
1 1 1 -4  28 14 o 34.18910 13.58310 6.724773       14.11372  -6.324233      
17.14842  34.12325       24.84841  30.49251 13.60450 57.20884 18.62378 
-26.71632      23.06355 
1 1 1 -4  28 15 o 238.9656 4.699880 582.6274       22.83881  590.9191       
32.19295  574.2256       32.40602  240.2607 6.589108 236.8083 6.729414 
3.452377       9.418140 
1 1 1 -4  28 16 o 140.6083 6.029547 202.3117       17.24039  167.5934       
23.55361  242.3804       25.30352  127.1300 9.172432 153.2924 8.146493 
-26.16244      12.26780 
1 1 1 -4  28 17 o 96.28894 8.378211 96.24935       16.24160  116.1660       
23.24496  77.25090       22.70281  105.1116 11.03986 84.69054 13.64604 
20.42109       17.55258 
1 1 1 -4  28 18 o 206.1312 5.440549 434.7084       22.80541  442.1866       
32.29745  427.2724       32.20618  207.2682 7.662738 203.7064 7.774692 
3.561859       10.91620 
1 1 1 -4  28 19 o 143.9424 7.953485 214.5149       23.19048  280.1731       
42.24017  186.1855       27.74602  162.3069 12.90439 133.2437 10.32057 
29.06328       16.52385 
1 1 1 -4  28 20 o 62.29800 14.74007 43.61037       18.38206  47.22916       
27.13518  40.54125       24.98949  63.84261 19.27957 59.64563 18.59392 
4.196980       26.78499 
1 1 1 -4  28 21 o 128.3325 7.752625 172.2082       20.13693  202.5838       
27.67508  138.0331       29.35494  138.0443 9.924927 111.9705 13.14209 
26.07381       16.46872 
1 1 1 -4  28 22 o 67.70800 13.52315 52.83452       17.96786  31.02284       
25.36019  74.81976       25.46088  51.54261 18.72342 78.90247 16.40339 
-27.35986      24.89253 
1 1 1 -4  29 1  o 56.18362 13.91928 33.63002       15.82114  30.99751       
22.01378  36.44242       22.75349  55.26772 17.48452 59.11059 17.61049 
-3.842873      24.81608 
1 1 1 -4  29 2  o 223.7824 3.446996 509.4330       15.68621  530.0284       
17.65438  432.2059       34.18635  228.2488 3.803580 205.8899 8.165191 
22.35898       9.007639 
1 1 1 -4  29 3  o 380.7336 4.103760 1474.928       31.77273  1492.712       
36.39535  1417.953       65.14271  382.9820 4.673219 372.8622 8.591440 
10.11975       9.780175 
1 1 1 -4  29 4  o 220.9080 3.621833 496.4684       16.27014  507.1817       
18.33487  456.7763       35.29134  223.2634 4.038396 211.6452 8.199894 
11.61813       9.140400 
1 1 1 -4  29 5  o 200.5564 3.765656 409.2406       15.35779  399.9289       
17.13572  447.2575       34.62389  198.2438 4.250609 209.4144 8.130511 
-11.17061      9.174579 
1 1 1 -4  29 6  o 443.6630 4.632657 2003.533       41.79601  1984.410       
58.75329  2023.126       59.47019  441.3033 6.547019 445.5851 6.563224 
-4.281769      9.270349 
1 1 1 -4  29 7  o 97.27696 6.255599 96.82437       12.30896  77.64188       
16.60209  120.2402       18.34277  86.63904 9.583680 108.2077 8.401832 
-21.56867      12.74510 
1 1 1 -4  29 8  o 267.4445 4.728616 728.3242       25.71694  718.0600       
31.33675  749.4959       45.00598  265.4549 5.805129 270.9109 8.169440 
-5.456024      10.02194 
1 1 1 -4  29 9  o 119.1375 5.649213 144.6701       13.68636  165.7883       
19.43246  123.8835       19.27932  127.1946 7.546648 109.7234 8.712236 
17.47126       11.52627 
1 1 1 -4  29 10 o 121.4042 6.633120 150.8985       16.31382  160.2346       
19.62876  130.0443       29.33637  124.9598 7.762906 111.4813 13.19667 
13.47851       15.31061 
1 1 1 -4  29 11 o 36.68597 12.79121 12.47556       11.72167  3.292047       
15.75241  23.86969       17.54619  33.76545 13.99822 48.42564 15.64073 
-14.66019      20.99006 
1 1 1 -4  29 12 o 30.60205 12.90152 1.272448       13.72225  38.19302       
22.68787  -20.02447      17.23129  59.60734 17.54171 25.91760 12.27388 
33.68974       21.40934 
1 1 1 -4  29 13 o 238.4900 5.276327 580.5076       25.58900  582.2878       
44.26809  579.6142       31.35891  237.9541 9.148422 238.0782 6.477238 
-0.1241302     11.20929 
1 1 1 -4  29 14 o 141.5055 10.83652 208.3635       30.94578  0.000000       
0.000000  208.3635       30.94578  ?        ?        141.5055 10.83652 
0.000000       10.83652 
1 1 1 -4  29 15 o 131.8214 5.933983 177.7396       15.90683  184.6369       
22.50300  170.8513       22.48833  133.7234 8.316452 128.5327 8.654212 
5.190643       12.00245 
1 1 1 -4  29 16 o 192.2979 5.194553 377.9164       20.31301  385.6611       
28.43186  369.8416       29.03139  193.7990 7.214436 189.7006 7.525714 
4.098358       10.42518 
1 1 1 -4  29 17 o 111.2443 7.485240 127.8438       16.83454  129.7580       
23.15746  125.6986       24.51585  111.2902 10.35118 109.2505 11.19301 
2.039673       15.24566 
1 1 1 -4  29 18 o 122.8372 7.424639 155.8695       18.45912  151.3152       
26.42727  160.2083       25.79451  119.9216 10.95794 123.6389 10.35472 
-3.717308      15.07636 
1 1 1 -4  29 19 o 103.0099 9.997693 111.7110       20.67883  66.20238       
34.26628  137.7773       25.93340  74.98689 21.41104 113.9650 11.34079 
-38.97812      24.22904 
1 1 1 -4  29 20 o 50.75863 15.59329 28.77155       17.64794  22.30959       
26.07064  34.23711       23.97657  49.11087 18.75426 55.26240 18.30898 
-6.151535      26.20956 
1 1 1 -4  29 21 o 74.96952 12.06633 62.25372       17.77133  39.45410       
23.86398  90.63938       26.62739  57.41584 18.20876 88.77731 15.30193 
-31.36147      23.78462 
1 1 1 -4  29 22 o 73.24203 12.14827 60.78072       17.45959  110.6393       
24.81613  11.91057       24.56891  98.85728 12.63344 41.43767 17.35538 
57.41961       21.46656 
1 1 1 -4  30 1  o 41.83708 7.112748 18.33644       5.834711  15.58374       
6.025474  59.75692       23.37322  38.38161 7.980221 74.82059 15.85464 
-36.43898      17.74975 
1 1 1 -4  30 2  o 169.6931 3.446542 292.9551       11.89322  288.3172       
12.90338  319.1454       30.66274  168.3350 3.769446 176.8547 8.525953 
-8.519684      9.322049 
1 1 1 -4  30 3  o 378.6836 4.115829 1459.272       31.69460  1444.412       
35.79417  1513.223       68.20444  376.7054 4.672605 385.0633 8.710220 
-8.357910      9.884390 
1 1 1 -4  30 4  o 405.3972 4.290986 1672.596       35.37441  1680.432       
40.43091  1647.015       73.05128  406.2884 4.893591 401.6548 8.943828 
4.633575       10.19506 
1 1 1 -4  30 5  o 226.1239 3.702832 520.2811       17.02675  525.4590       
19.34666  502.4919       35.86005  227.2227 4.186998 221.9265 7.946029 
5.296158       8.981667 
1 1 1 -4  30 6  o 213.1689 3.479017 462.3629       15.08106  440.7275       
18.69587  502.6646       25.51672  208.0757 4.418478 222.1341 5.648827 
-14.05833      7.171624 
1 1 1 -4  30 7  o 178.4088 4.347317 324.0454       15.77208  315.4120       
21.82076  333.4902       22.82318  175.9080 6.100042 180.8710 6.205199 
-4.963089      8.701437 
1 1 1 -4  30 8  o 289.4135 4.789968 853.1493       28.19051  860.3885       
34.46457  838.5142       49.00306  290.5152 5.833815 286.3947 8.414082 
4.120422       10.23866 
1 1 1 -4  30 9  o 190.8702 4.489727 371.0886       17.42647  354.6479       
24.12465  389.0277       25.20000  186.4254 6.363622 195.2544 6.346704 
-8.828995      8.987566 
1 1 1 -4  30 10 o 157.1504 5.661768 251.9306       18.09336  259.1991       
21.69516  235.3270       32.79012  159.2969 6.697367 150.8699 10.75832 
8.427063       12.67265 
1 1 1 -4  30 11 o 211.6981 4.458085 456.7439       19.19184  449.9116       
27.05386  463.6653       27.22972  209.8579 6.339462 213.0500 6.285072 
-3.192078      8.926976 
1 1 1 -4  30 12 o 208.1924 5.242064 442.3283       22.19313  441.7895       
37.11868  442.6281       27.68696  207.3756 8.802042 208.0502 6.544188 
-0.6745911     10.96824 
1 1 1 -4  30 13 o 167.3839 5.053377 285.9535       17.20073  289.0357       
24.15817  282.7844       24.49636  167.9792 7.072245 166.1212 7.251451 
1.857925       10.12918 
1 1 1 -4  30 14 o 95.29404 8.159894 94.00713       15.66003  93.78188       
19.21970  94.45205       27.01145  94.72717 10.13471 93.73676 14.65001 
0.9904099      17.81390 
1 1 1 -4  30 15 o 131.5859 6.038258 177.2384       16.15744  196.0022       
23.16817  159.4708       22.54472  137.7236 8.311347 123.9988 9.002164 
13.72482       12.25224 
1 1 1 -4  30 16 o 150.9246 5.823562 233.2110       17.87311  227.3321       
25.38408  238.9913       25.17006  148.2138 8.457176 152.0664 8.169466 
-3.852646      11.75857 
1 1 1 -4  30 17 o 47.75727 16.19149 23.29353       18.74181  32.26290       
21.96646  -0.7068710     35.93259  54.68586 17.48334 46.39072 20.23189 
8.295135       26.73942 
1 1 1 -4  30 18 o 200.3777 5.668082 411.4497       23.09601  395.7410       
32.08871  428.3348       33.26862  195.7371 8.061720 203.6494 8.033418 
-7.912308      11.38100 
1 1 1 -4  30 19 o 74.06707 12.58889 59.77867       18.28253  47.75097       
27.13276  69.78094       24.74297  64.27973 19.24890 78.72262 16.00150 
-14.44289      25.03135 
1 1 1 -4  30 20 o 76.58483 11.88600 64.10199       17.91097  69.74652       
24.92661  58.07676       25.75349  77.78275 16.28142 70.03596 17.98827 
7.746796       24.26237 
1 1 1 -4  30 21 o 107.5248 8.819789 123.1361       19.11514  121.6936       
26.41655  124.7216       27.69449  104.4384 12.69978 105.3696 13.21560 
-0.9311447     18.32858 
1 1 1 -4  30 22 o 66.59490 13.08812 51.73863       17.09229  46.95650       
24.38880  56.35453       23.96117  59.99955 18.31355 66.36977 17.50284 
-6.370220      25.33250 
1 1 1 -4  31 1  o 328.9568 3.824442 1101.212       25.58341  1087.945       
28.57175  1154.869       57.45932  326.9325 4.297613 336.3261 8.401338 
-9.393616      9.436734 
1 1 1 -4  31 2  o 247.5389 3.544868 623.4813       17.84412  626.3754       
19.80204  610.9792       41.15729  248.0925 3.925048 244.6505 8.272738 
3.441956       9.156648 
1 1 1 -4  31 3  o 267.5876 3.637577 728.5997       19.79382  721.0755       
22.03684  760.0186       45.03133  266.1763 4.071256 272.8773 8.115138 
-6.700989      9.079129 
1 1 1 -4  31 4  o 279.6049 3.738692 795.5725       21.25768  798.1129       
23.94933  786.1384       46.15271  280.0194 4.205851 277.4966 8.178773 
2.522797       9.196820 
1 1 1 -4  31 5  o 187.9123 3.796339 359.3675       14.50680  350.5086       
16.15658  396.2209       32.95323  185.5580 4.281719 196.9718 8.227019 
-11.41373      9.274533 
1 1 1 -4  31 6  o 176.1625 4.006520 315.8966       14.35265  305.8199       
16.05042  356.1118       32.06429  173.3011 4.554424 186.6729 8.446735 
-13.37178      9.596359 
1 1 1 -4  31 7  o 292.4374 4.101684 870.6971       24.39195  861.1011       
33.96685  880.9147       35.04949  290.6348 5.747199 293.9437 5.863624 
-3.308960      8.210504 
1 1 1 -4  31 8  o 173.2604 5.068362 305.9321       17.85741  310.2958       
21.96306  297.4206       30.67378  174.3924 6.193182 170.1974 8.893514 
4.194992       10.83744 
1 1 1 -4  31 9  o 139.3529 5.139738 197.9839       14.56493  207.7775       
19.95687  186.8224       21.30500  142.6051 6.881861 134.9093 7.799106 
7.695801       10.40125 
1 1 1 -4  31 10 o 70.69948 8.840472 52.06149       12.43209  57.11985       
16.99371  46.23709       18.23511  73.48724 11.76885 65.47728 14.11110 
8.009964       18.37469 
1 1 1 -4  31 11 o 146.0656 5.100952 217.6744       15.15133  218.9824       
21.17524  216.3023       21.68839  146.2665 7.119214 145.1512 7.371967 
1.115326       10.24837 
1 1 1 -4  31 12 o 114.4106 7.054843 134.5670       16.33358  115.4339       
26.22197  146.6972       20.87882  104.6409 12.57468 119.1507 8.676644 
-14.50977      15.27765 
1 1 1 -4  31 13 o 36.77800 13.31304 11.93401       12.80510  13.93703       
17.65232  9.709346       18.60337  41.32774 15.51164 39.45651 15.62023 
1.871235       22.01369 
1 1 1 -4  31 14 o 76.55269 10.03982 61.64233       15.25242  67.27072       
18.80773  50.82956       26.06831  79.49348 12.00902 67.51859 18.45773 
11.97489       22.02054 
1 1 1 -4  31 15 o 87.99632 8.269723 80.48746       14.62453  94.21900       
20.36808  65.87489       21.01134  94.59462 10.78104 77.99297 13.75037 
16.60165       17.47294 
1 1 1 -4  31 16 o 163.0957 5.625265 272.3468       18.65679  304.7865       
26.98945  242.6602       25.81884  172.0121 7.715848 153.1059 8.323934 
18.90620       11.34999 
1 1 1 -4  31 17 o 101.9485 9.796999 108.9882       20.06060  97.66534       
23.24158  142.0688       39.72599  95.64405 12.22971 112.9494 17.89201 
-17.30538      21.67233 
1 1 1 -4  31 18 o 45.52329 15.50185 21.27322       17.18002  48.40051       
24.29686  -5.851190      24.29557  65.14598 17.82388 36.51431 16.24936 
28.63167       24.11913 
1 1 1 -4  31 19 o 128.6075 7.775389 172.1393       20.23920  130.9044       
29.59760  208.3553       27.73792  109.4765 13.58696 140.6329 9.759604 
-31.15635      16.72888 
1 1 1 -4  31 20 o 77.88853 11.28873 66.22607       17.35896  48.86747       
24.05810  85.07834       25.07181  63.85666 17.83923 86.53770 14.77774 
-22.68104      23.16505 
1 1 1 -4  31 21 o 92.56821 9.790295 92.98931       18.14964  79.24434       
25.54590  106.9991       25.79079  81.29726 16.02204 96.80953 13.46532 
-15.51227      20.92894 
1 1 1 -4  32 1  o 300.7092 3.710728 920.3141       22.69119  893.6086       
25.06458  1041.630       53.42192  296.2772 4.160168 319.3101 8.227264 
-23.03287      9.219266 
1 1 1 -4  32 2  o 316.1454 3.798604 1017.257       24.42093  987.6637       
27.02612  1148.934       57.00930  311.4721 4.266907 335.3392 8.360070 
-23.86710      9.386015 
1 1 1 -4  32 3  o 195.3236 3.563965 388.2564       14.15597  394.1613       
15.66109  361.8896       33.09354  196.7852 3.913614 188.1646 8.648762 
8.620682       9.493021 
1 1 1 -4  32 4  o 260.2380 3.709826 689.2859       19.63251  679.7560       
21.93386  727.6844       44.02791  258.3983 4.174208 266.8820 8.112551 
-8.483704      9.123458 
1 1 1 -4  32 5  o 235.4632 3.726933 564.3331       17.84539  564.2533       
20.19690  564.6174       38.10691  235.4108 4.218975 235.0701 7.971772 
0.3406677      9.019362 
1 1 1 -4  32 6  o 65.37611 7.396408 44.20843       9.660148  49.72840       
10.81609  22.44554       21.47635  69.32425 7.808414 49.20256 17.30503 
20.12169       18.98514 
1 1 1 -4  32 7  o 229.0243 5.694515 534.9374       26.52099  534.9374       
26.52099  0.000000       0.000000  229.0243 5.694515 ?        ?        
0.000000       5.694515 
1 1 1 -4  32 8  o 128.8793 5.710660 169.4614       14.96652  181.6869       
18.51166  146.3878       25.43131  133.1728 6.858920 118.8278 10.63698 
14.34499       12.65662 
1 1 1 -4  32 9  o 133.9737 6.083922 183.2936       16.57504  181.2400       
19.19381  189.3167       32.87115  132.9267 7.126599 134.7768 12.12329 
-1.850067      14.06281 
1 1 1 -4  32 10 o 79.66840 7.859926 65.67637       12.56778  51.22960       
16.86043  83.73974       18.85309  69.28911 12.42244 89.50279 10.56192 
-20.21368      16.30555 
1 1 1 -4  32 11 o 163.0434 4.903802 271.2455       16.25877  249.5483       
22.34417  295.6613       23.70267  156.0949 7.039213 169.9370 6.858952 
-13.84216      9.828314 
1 1 1 -4  32 12 o 102.3815 6.736565 107.8134       13.94695  95.25513       
19.30346  121.5287       20.17319  95.50152 10.09261 108.2002 9.257565 
-12.69869      13.69537 
1 1 1 -4  32 13 o 27.28583 11.92729 -2.263732      12.55238  6.612996       
17.04105  -12.79284      18.55948  36.45561 14.77238 29.41308 13.52422 
7.042532       20.02817 
1 1 1 -4  32 14 o 110.0257 7.443243 124.9818       16.55562  128.5166       
20.48267  118.3210       28.11730  111.1558 9.142612 105.2551 13.44357 
5.900711       16.25782 
1 1 1 -4  32 15 o 221.3372 4.924797 500.7569       22.16635  529.8380       
31.22562  471.2156       31.47174  227.1445 6.760169 214.0582 7.229987 
13.08632       9.898110 
1 1 1 -4  32 16 o 109.5365 7.613874 124.2329       16.85422  113.1822       
22.59576  138.0919       25.30450  103.5436 10.89474 114.4321 11.01013 
-10.88843      15.48930 
1 1 1 -4  32 17 o 172.9900 7.014980 308.0901       24.67737  310.2646       
28.88753  302.2184       47.47007  173.2062 8.201545 167.7393 14.04591 
5.466888       16.26508 
1 1 1 -4  32 18 o 141.9732 8.105070 209.5850       23.30289  223.9565       
41.06712  202.7602       28.30018  143.5593 14.25585 138.7923 10.09622 
4.767059       17.46891 
1 1 1 -4  32 19 o 87.65809 10.51786 82.37328       18.37433  52.31381       
25.70599  113.7753       26.27378  66.43835 18.39746 101.9531 12.96607 
-35.51477      22.50746 
1 1 1 -4  32 20 o 38.11193 14.86985 12.19168       16.64573  -3.182948      
23.25361  28.34950       23.83853  35.53372 15.84878 50.36409 18.17476 
-14.83037      24.11443 
1 1 1 -4  32 21 o 47.55148 15.20121 27.03317       16.60636  31.23610       
23.80804  23.05090       23.17464  50.59333 18.17439 45.93939 17.64894 
4.653938       25.33365 
1 1 1 -4  33 1  f 303.0281 3.736056 934.7556       23.02225  939.0460       
25.97222  919.0223       49.73637  303.6750 4.205800 299.8038 8.158033 
3.871216       9.178358 
1 1 1 -4  33 2  o 150.6767 3.584279 231.0883       10.98245  233.1989       
11.98828  220.0705       27.39102  151.3486 3.895174 146.3125 9.253761 
5.036072       10.04014 
1 1 1 -4  33 3  f 79.87725 4.992559 65.26212       8.068890  63.45805       
8.615463  78.14238       23.02042  78.71887 5.414994 85.99431 13.61778 
-7.275436      14.65490 
1 1 1 -4  33 4  o 300.8727 3.833750 921.6023       23.45621  936.5453       
26.66431  870.4705       49.32383  303.2492 4.323936 291.7159 8.314673 
11.53326       9.371778 
1 1 1 -4  33 5  o 108.0969 4.592033 119.0404       10.09415  121.3122       
11.29545  110.0321       22.49287  109.0991 5.091329 102.9034 10.91556 
6.195709       12.04455 
1 1 1 -4  33 6  o 181.8766 3.946742 336.8620       14.59711  350.9803       
16.75248  292.3411       29.74883  185.6105 4.438385 168.7062 8.700994 
16.90437       9.767629 
1 1 1 -4  33 7  o 176.9428 4.908546 319.1777       17.66189  332.9058       
21.54669  291.0629       30.83491  180.6060 5.866740 168.2029 9.048094 
12.40311       10.78363 
1 1 1 -4  33 8  o 174.2652 4.991251 309.7059       17.68771  337.0699       
21.99433  259.6112       29.75891  181.6856 5.953040 158.7072 9.261028 
22.97844       11.00933 
1 1 1 -4  33 9  o 95.17039 7.838252 93.46398       15.03464  87.21760       
17.21056  113.5876       30.89111  91.61883 9.369420 103.1166 15.18647 
-11.49778      17.84419 
1 1 1 -4  33 10 o 104.7847 6.187864 112.6587       13.12681  110.8391       
18.10206  114.6768       19.06345  103.4789 8.682764 105.1995 8.997776 
-1.720520      12.50401 
1 1 1 -4  33 11 o 133.5196 6.187862 182.3952       16.80108  198.8338       
26.94243  171.9353       21.49163  138.4795 9.627383 129.0743 8.230910 
9.405197       12.66627 
1 1 1 -4  33 12 o 107.5630 6.350698 118.8853       13.82947  125.2434       
19.35350  112.2515       19.76877  109.9110 8.730905 103.8381 9.466071 
6.072906       12.87770 
1 1 1 -4  33 13 o 106.6606 6.675745 117.1243       14.40665  120.3413       
19.42761  113.1939       21.47390  107.5958 8.960645 103.9640 10.29247 
3.631813       13.64654 
1 1 1 -4  33 14 o 231.5953 5.310793 548.6880       25.01155  543.2142       
30.87366  559.1404       42.66315  230.0575 6.599338 232.4624 9.025031 
-2.404938      11.18045 
1 1 1 -4  33 15 o 100.4131 7.625711 104.5006       15.45489  95.27719       
21.39021  114.5745       22.35469  94.76491 11.32412 104.2500 10.69640 
-9.485138      15.57718 
1 1 1 -4  33 16 o 44.85819 14.45212 21.23206       14.98783  36.28861       
20.95017  5.447496       21.45067  57.07228 16.87386 38.92793 16.25290 
18.14435       23.42827 
1 1 1 -4  33 17 o 196.6574 6.728159 398.1887       26.90656  427.3296       
31.65336  322.2931       51.08305  203.3538 7.654488 172.3991 14.71185 
30.95470       16.58402 
1 1 1 -4  33 18 o 85.29443 12.92631 79.52656       21.71796  45.04197       
36.30536  98.74344       27.10190  62.97532 22.46206 94.38196 14.59149 
-31.40664      26.78537 
1 1 1 -4  33 19 o 60.39633 14.94186 42.06658       18.25050  23.65719       
24.71370  64.14841       27.06672  48.61329 18.33212 73.08133 18.26383 
-24.46804      25.87729 
1 1 1 -4  33 20 o 54.02954 15.49076 34.90882       17.90030  49.78415       
24.32860  17.35059       26.43164  63.06100 18.05323 45.00857 18.33826 
18.05243       25.73346 
1 1 1 -4  33 21 o 24.47691 11.71904 -18.40643      16.61091  -57.30085      
23.51971  20.30111       23.46315  23.23004 11.64024 44.02497 17.50630 
-20.79492      21.02298 
1 1 1 -4  34 1  o 144.2487 3.640558 211.8486       10.67902  216.5885       
11.69572  188.0865       26.18680  145.8366 3.943746 135.0520 9.597694 
10.78465       10.37636 
1 1 1 -4  34 2  o 300.0493 3.756343 916.6775       22.91972  929.8295       
25.90804  869.3277       49.15825  302.1389 4.216737 291.4052 8.295597 
10.73367       9.305795 
1 1 1 -4  34 3  o 68.71449 5.732789 48.49902       7.937476  50.93788       
8.538234  32.97482       21.54163  70.39656 6.022346 56.02203 17.23073 
14.37453       18.25285 
1 1 1 -4  34 4  f 140.0705 3.999433 199.8190       11.39191  204.7247       
12.57847  177.4353       26.86843  141.7571 4.363466 131.0181 10.16418 
10.73895       11.06121 
1 1 1 -4  34 5  f 154.3812 4.047993 242.7668       12.70825  247.3263       
14.20923  224.5411       28.40872  155.7925 4.485104 147.5783 9.516980 
8.214188       10.52089 
1 1 1 -4  34 6  o 189.2213 4.540927 364.9305       17.47294  383.9211       
21.02524  322.5350       31.41463  193.9940 5.329682 177.3183 8.712181 
16.67564       10.21311 
1 1 1 -4  34 7  o 137.1687 4.420007 191.7818       12.32905  184.2767       
13.71750  223.3269       28.12311  134.4099 5.018713 147.0785 9.452991 
-12.66859      10.70264 
1 1 1 -4  34 8  o 116.6191 5.567602 138.8749       13.20351  138.1079       
17.67815  139.8426       19.85622  115.8498 7.545119 116.4044 8.445822 
-0.5545959     11.32522 
1 1 1 -4  34 9  o 181.1113 5.265816 334.9165       19.39379  323.6600       
22.78813  364.4861       36.93436  177.8811 6.299810 187.7564 9.706709 
-9.875275      11.57185 
1 1 1 -4  34 10 o 185.3367 4.618072 350.4913       17.40498  375.2453       
24.10683  323.5372       25.15536  191.5012 6.190378 177.6696 6.962514 
13.83167       9.316511 
1 1 1 -4  34 11 o 73.50370 10.02603 56.89590       14.59522  68.78902       
22.69741  48.51111       19.05786  79.63393 14.55234 66.63145 14.47885 
13.00247       20.52822 
1 1 1 -4  34 12 o 27.03981 11.80378 -2.011920      12.25683  -5.269682      
16.67664  1.815205       18.07528  30.28497 13.47064 34.78297 14.74331 
-4.498001      19.97056 
1 1 1 -4  34 13 f 261.1078 4.579276 696.3342       24.31465  705.1917       
34.19054  687.2711       34.58508  262.1975 6.412479 258.7874 6.571950 
3.410187       9.182071 
1 1 1 -4  34 14 o 61.93509 12.83850 41.88258       15.63874  48.17797       
20.22168  32.51413       24.66831  65.79551 15.38812 55.28557 18.57676 
10.50994       24.12240 
1 1 1 -4  34 15 o 172.7951 5.490962 305.9240       19.29440  304.6043       
26.79935  307.3442       27.80101  171.7988 7.671012 172.4835 7.926139 
-0.6846619     11.03033 
1 1 1 -4  34 16 o 198.1417 5.449022 402.4117       21.95563  445.9578       
31.02669  358.7347       31.07326  207.9097 7.338532 186.1346 8.209342 
21.77515       11.01124 
1 1 1 -4  34 17 o 205.8021 6.720035 436.6547       28.12372  443.1696       
32.63239  417.8436       55.45014  206.8589 7.757526 196.4765 13.96947 
10.38242       15.97890 
1 1 1 -4  34 18 o 137.1194 8.872767 197.6106       24.60795  223.4376       
44.60759  186.3126       29.50334  141.0739 15.82194 131.9203 11.10105 
9.153580       19.32788 
1 1 1 -4  34 19 o 125.2489 7.971473 165.0762       20.19758  138.3077       
27.47375  196.5582       29.79457  112.0537 12.25691 134.7472 10.96861 
-22.69357      16.44816 
1 1 1 -4  34 20 o 88.94129 10.08836 86.72383       17.92355  110.5075       
25.49173  63.47010       25.20615  98.24493 13.08500 70.85822 17.57778 
27.38672       21.91337 
1 1 1 -4  34 21 o 32.68990 13.95130 5.025989       16.38121  -18.71461      
23.76575  26.51458       22.61047  30.00332 14.26822 46.47631 17.53268 
-16.47300      22.60480 
1 1 1 -4  35 1  o 164.0288 4.306339 274.1726       14.36415  268.5735       
16.36268  292.9854       29.99302  162.2869 4.958149 168.7546 8.770259 
-6.467773      10.07475 
1 1 1 -4  35 2  o 171.7125 3.539463 300.2398       12.35921  298.6367       
13.51111  308.4571       30.58959  171.2279 3.880297 173.1865 8.713612 
-1.958588      9.538540 
1 1 1 -4  35 3  o 295.7914 3.764846 891.0997       22.64562  926.5636       
26.05722  781.6433       45.77787  301.5502 4.249298 276.1715 8.151271 
25.37869       9.192374 
1 1 1 -4  35 4  o 202.9702 3.663575 419.5663       15.12129  419.4473       
16.84056  420.0612       34.35237  202.9012 4.081508 202.3938 8.346572 
0.5073853      9.291069 
1 1 1 -4  35 5  o 361.9375 4.160971 1334.908       30.62525  1342.614       
34.98158  1309.623       63.37009  362.8607 4.740760 357.1520 8.725287 
5.708679       9.930027 
1 1 1 -4  35 6  o 205.3145 4.490859 429.7848       18.74997  428.0299       
22.24861  434.0859       34.83128  204.7786 5.342775 205.6540 8.328770 
-0.8753967     9.895133 
1 1 1 -4  35 7  o 131.5588 4.521124 176.5048       12.09533  176.8053       
13.52215  175.3022       27.05272  131.6220 5.052028 129.9067 10.32586 
1.715332       11.49549 
1 1 1 -4  35 8  o 228.7882 4.024757 533.5770       18.72513  535.9360       
20.97214  524.3038       41.58001  229.2205 4.499226 225.6242 9.062489 
3.596313       10.11789 
1 1 1 -4  35 9  o 188.8114 4.511043 363.7342       17.32035  342.1074       
23.54069  389.2602       25.57490  182.8053 6.332555 194.9719 6.450457 
-12.16660      9.039338 
1 1 1 -4  35 10 o 142.3317 5.276541 207.0343       15.27222  200.3097       
20.60655  215.2294       22.74830  139.4940 7.289685 144.4900 7.770664 
-4.996048      10.65470 
1 1 1 -4  35 11 o 143.7125 6.182727 211.5907       18.06867  223.1500       
28.88823  204.1626       23.15755  146.4608 9.755283 140.5549 8.136861 
5.905853       12.70331 
1 1 1 -4  35 12 o 155.2420 5.291538 246.5264       16.70485  228.6551       
22.92793  266.7463       24.38806  148.8469 7.600173 161.0077 7.448676 
-12.16081      10.64168 
1 1 1 -4  35 13 o 263.2477 4.619352 708.1840       24.72846  679.6874       
33.66635  741.5709       36.44085  257.2877 6.434660 268.6476 6.670434 
-11.35995      9.268201 
1 1 1 -4  35 14 o 96.56792 8.561620 97.31999       16.63848  123.7381       
21.88398  61.12680       25.61470  108.4910 10.03292 73.38060 17.42509 
35.11038       20.10705 
1 1 1 -4  35 15 o 30.72342 13.08238 1.087113       14.34517  12.20977       
19.99809  -10.70266      20.58908  41.20984 16.23293 31.73182 14.45944 
9.478025       21.73899 
1 1 1 -4  35 16 o 80.76768 10.50702 69.52714       16.84851  76.26550       
23.44081  62.32517       24.23376  83.10060 14.39260 74.08681 16.50768 
9.013794       21.90092 
1 1 1 -4  35 17 o 44.50412 17.19815 16.90450       22.10203  16.90450       
22.10203  0.000000       0.000000  44.50412 17.19815 ?        ?        
0.000000       17.19815 
1 1 1 -4  35 18 o 48.17170 18.37308 22.69845       25.00248  0.000000       
0.000000  22.69845       25.00248  ?        ?        48.17170 18.37308 
0.000000       18.37308 
1 1 1 -4  35 19 o 28.92982 13.14944 -6.630466      16.89163  -9.371913      
23.08554  -3.471490      24.78125  33.09477 15.16761 36.16333 16.22840 
-3.068562      22.21300 
1 1 1 -4  35 20 o 35.61481 14.61280 9.359541       16.93112  23.66239       
24.10918  -4.558432      23.78259  45.90727 17.89996 34.26601 15.58564 
11.64126       23.73437 
1 1 1 -4  36 1  o 175.5016 3.606458 313.7431       12.87103  327.1290       
14.28291  255.9008       29.69029  179.1768 3.919977 157.4244 9.315967 
21.75238       10.10710 
1 1 1 -4  36 2  o 59.17624 6.153476 36.17265       7.296605  36.94745       
7.732044  29.86918       22.05420  59.76521 6.465044 53.77136 17.54743 
5.993851       18.70051 
1 1 1 -4  36 3  o 47.65432 7.828922 23.88321       7.323209  24.61325       
7.857761  19.05861       20.20020  48.30614 8.298172 46.10947 16.71642 
2.196671       18.66275 
1 1 1 -4  36 4  o 195.6965 4.111812 390.3340       16.36318  392.1863       
18.80894  384.5685       33.18378  196.0856 4.717015 193.4990 8.433264 
2.586563       9.662825 
1 1 1 -4  36 5  o 240.1193 3.779106 587.4862       18.45303  608.6881       
21.05905  517.3728       38.29591  244.3470 4.238189 224.4023 8.392158 
19.94473       9.401625 
1 1 1 -4  36 6  o 114.1646 5.475698 133.1439       12.71225  156.4589       
15.37053  82.67317       22.61467  123.6863 6.111051 88.14209 13.00792 
35.54423       14.37188 
1 1 1 -4  36 7  o 121.5528 4.698310 150.7811       11.61337  153.1804       
12.97332  141.1034       26.05542  122.4646 5.209414 116.0991 11.17416 
6.365494       12.32882 
1 1 1 -4  36 8  o 35.41309 12.17414 12.03986       10.59994  12.03986       
10.59994  0.000000       0.000000  35.41309 12.17414 ?        ?        
0.000000       12.17414 
1 1 1 -4  36 9  o 62.33227 9.659930 41.09767       11.84824  24.45871       
15.59827  63.79172       18.21668  47.89076 14.65111 77.32881 11.97131 
-29.43805      18.92003 
1 1 1 -4  36 10 o 179.2983 6.380268 329.5818       23.26304  329.5818       
23.26304  0.000000       0.000000  179.2983 6.380268 ?        ?        
0.000000       6.380268 
1 1 1 -4  36 11 o 210.4929 5.301741 453.2888       22.69381  446.9632       
36.94412  457.1222       28.75936  207.9249 8.737504 210.9933 6.702845 
-3.068344      11.01236 
1 1 1 -4  36 12 o 155.6481 5.434050 248.0683       17.19962  227.0403       
23.84508  270.8746       24.83284  148.1111 7.945984 162.1216 7.532413 
-14.01045      10.94879 
1 1 1 -4  36 13 o 213.6801 4.894991 467.1512       21.27000  458.8405       
29.30210  476.4074       30.92402  211.1526 6.824187 215.0616 7.071015 
-3.908981      9.826941 
1 1 1 -4  36 14 o 46.76808 13.72011 23.92206       13.89854  22.21741       
19.54477  25.66589       19.76814  46.95954 16.50892 49.32817 16.62938 
-2.368633      23.43247 
1 1 1 -4  36 15 o 66.22814 16.54238 49.95485       22.21323  0.000000       
0.000000  49.95485       22.21323  ?        ?        66.22814 16.54238 
0.000000       16.54238 
1 1 1 -4  36 16 o 95.57346 8.976018 96.10748       17.24067  78.57893       
23.94045  114.9916       24.84891  84.06916 14.52929 103.3015 12.05581 
-19.23235      18.87969 
1 1 1 -4  36 17 o 105.3683 8.558571 116.8407       18.17997  130.3813       
25.63370  103.1368       25.78771  109.8169 11.65687 96.57670 13.49975 
13.24020       17.83609 
1 1 1 -4  36 18 f 92.66402 15.01097 98.70403       27.31844  0.000000       
0.000000  98.70403       27.31844  ?        ?        92.66402 15.01097 
0.000000       15.01097 
1 1 1 -4  36 19 o 28.18562 12.96638 -8.502007      17.08934  6.853310       
23.31072  -26.34387      25.12734  38.53378 16.54887 29.89749 14.34045 
8.636286       21.89780 
1 1 1 -4  36 20 o 180.8178 8.937504 355.5019       32.86313  355.5019       
32.86313  0.000000       0.000000  180.8178 8.937504 ?        ?        
0.000000       8.937504 
1 1 1 -4  37 1  o 142.0358 3.750955 205.5941       10.83406  203.8772       
11.83956  214.4335       26.86417  141.4084 4.117269 143.9457 9.226051 
-2.537323      10.10307 
1 1 1 -4  37 2  o 144.0754 3.714388 211.5271       10.88250  221.4405       
12.05250  167.7755       25.31998  147.3847 4.021361 127.0955 9.874258 
20.28918       10.66172 
1 1 1 -4  37 3  o 142.6442 3.808749 207.3722       11.04811  214.2639       
12.20596  176.1294       25.98866  144.9642 4.140567 130.2289 9.887336 
14.73524       10.71931 
1 1 1 -4  37 4  f 135.4792 4.052358 187.1311       11.16431  183.3763       
12.28502  204.9397       26.75453  134.0702 4.506009 140.6438 9.408874 
-6.573639      10.43221 
1 1 1 -4  37 5  o 41.46189 9.896386 18.47096       8.228267  22.62594       
9.114990  0.1786845      19.12517  45.91404 10.04203 35.04141 15.01771 
10.87263       18.06582 
1 1 1 -4  37 6  o 167.2474 4.683198 285.5248       15.92771  287.6158       
18.92412  280.4450       29.49549  167.7262 5.548342 164.7021 8.838826 
3.024139       10.43594 
1 1 1 -4  37 7  o 44.57286 11.45913 21.47454       10.44412  21.47454       
10.44412  0.000000       0.000000  44.57286 11.45913 ?        ?        
0.000000       11.45913 
1 1 1 -4  37 8  o 86.21844 6.877592 76.76697       11.95802  76.76697       
11.95802  0.000000       0.000000  86.21844 6.877592 ?        ?        
0.000000       6.877592 
1 1 1 -4  37 9  o 170.3248 4.000098 295.9695       13.85479  288.5881       
16.87391  311.2421       24.27190  168.0389 4.938039 174.0953 6.855914 
-6.056396      8.449129 
1 1 1 -4  37 10 o 50.40794 13.20121 27.82504       13.69251  11.51496       
20.83840  40.21749       18.16415  41.63694 16.51657 60.25102 14.90681 
-18.61409      22.24882 
1 1 1 -4  37 11 o 204.3790 4.652721 426.9601       19.33725  410.2718       
26.42213  446.2083       28.37634  199.8443 6.501665 208.3478 6.697551 
-8.503510      9.334283 
1 1 1 -4  37 12 o 232.9680 5.542500 556.3433       26.25750  538.2044       
44.80415  565.8322       32.40569  227.2524 9.695236 234.4689 6.796489 
-7.216568      11.84018 
1 1 1 -4  37 13 o 211.8673 6.876909 462.5714       29.62843  462.5714       
29.62843  0.000000       0.000000  211.8673 6.876909 ?        ?        
0.000000       6.876909 
1 1 1 -4  37 14 o 60.40395 12.71812 40.21125       15.12826  33.98060       
20.68735  47.37327       22.17970  55.05993 16.87744 64.38577 16.77250 
-9.325832      23.79421 
1 1 1 -4  37 15 f 57.29893 13.33166 36.58669       15.24174  29.71075       
20.40220  45.27083       22.92843  51.91345 16.87432 62.65029 17.38463 
-10.73684      24.22742 
1 1 1 -4  37 16 o 38.42723 14.76092 12.24144       16.20935  17.40066       
22.53130  6.706712       23.33688  44.81854 17.35183 40.13172 16.86691 
4.686821       24.19873 
1 1 1 -4  37 17 o 52.20743 15.08335 31.46217       16.91273  41.59418       
23.71172  20.96936       24.13021  58.96892 18.06797 46.79422 18.00162 
12.17470       25.50509 
1 1 1 -4  37 18 o 109.4814 12.33794 133.8256       26.98957  0.000000       
0.000000  133.8256       26.98957  ?        ?        109.4814 12.33794 
0.000000       12.33794 
1 1 1 -4  37 19 o 101.9489 10.22965 115.0591       20.92173  96.33626       
25.03539  158.4086       38.09443  90.03641 14.13959 112.1311 17.26003 
-22.09465      22.31225 
1 1 1 -4  37 20 o 34.72562 14.30910 9.854451       16.32122  -2.189116      
23.25787  21.53988       22.90945  33.74145 15.37241 43.07751 17.24266 
-9.336056      23.10023 
1 1 1 -4  38 1  o 114.2327 4.107170 133.0983       9.540799  131.6708       
10.36735  140.9946       24.38386  113.5838 4.488486 116.1403 10.43589 
-2.556450      11.36020 
1 1 1 -4  38 2  o 139.0113 3.832160 197.0172       10.83291  190.8216       
11.79964  230.2477       27.32722  136.7661 4.242664 149.0897 9.056448 
-12.32364      10.00097 
1 1 1 -4  38 3  o 100.2944 4.514551 102.6650       9.207517  106.3550       
9.974173  81.39186       23.94836  102.0551 4.806076 86.91112 14.02801 
15.14400       14.82846 
1 1 1 -4  38 4  o 110.4126 4.444091 124.4183       9.978215  124.5823       
10.95349  123.6182       24.19020  110.4432 4.877107 108.4687 11.12431 
1.974518       12.14645 
1 1 1 -4  38 5  o 65.49974 6.809534 44.47798       8.937438  43.51540       
9.827113  49.08367       21.49582  64.62142 7.625082 66.56041 16.06477 
-1.938988      17.78254 
1 1 1 -4  38 6  o 116.8539 5.458869 139.6780       12.97172  140.1521       
15.27573  138.4524       24.56222  116.7379 6.459983 114.9243 10.63047 
1.813622       12.43939 
1 1 1 -4  38 7  o 167.1799 6.040450 286.3758       20.53547  286.3758       
20.53547  0.000000       0.000000  167.1799 6.040450 ?        ?        
0.000000       6.040450 
1 1 1 -4  38 8  o 120.7338 4.988297 149.0321       12.24708  152.8720       
13.73149  134.0971       27.08101  122.2028 5.525675 112.4666 12.02751 
9.736137       13.23609 
1 1 1 -4  38 9  o 195.4910 5.122862 390.9828       20.36530  416.2829       
25.12386  342.5074       34.77647  201.4483 6.132976 181.3992 9.460320 
20.04912       11.27435 
1 1 1 -4  38 10 o 135.4281 6.162779 188.2712       16.97215  171.4344       
26.28219  200.3147       22.22838  127.8074 10.19728 139.0576 7.893239 
-11.25026      12.89526 
1 1 1 -4  38 11 o 104.1603 6.724957 112.1169       14.16828  108.4036       
18.98291  116.7870       21.28870  101.6762 9.283432 105.2909 10.06539 
-3.614655      13.69285 
1 1 1 -4  38 12 o 62.15464 13.33780 42.72373       16.35351  20.92569       
26.62024  55.93680       20.72551  49.07353 18.89945 70.76126 14.87535 
-21.68773      24.05130 
1 1 1 -4  38 13 o 165.0115 5.662404 279.6156       19.00057  276.4280       
25.79762  283.3950       28.09024  163.3591 7.765780 164.9474 8.402324 
-1.588364      11.44143 
1 1 1 -4  38 14 o 99.57181 7.964500 103.5170       15.99176  94.79150       
21.69735  113.8939       23.66162  93.88657 11.61214 103.0797 11.48326 
-9.193123      16.33116 
1 1 1 -4  38 15 o 111.5435 7.568566 129.6755       17.06599  126.9854       
23.40492  132.7294       24.93787  109.0705 10.68973 111.2938 11.16956 
-2.223267      15.46057 
1 1 1 -4  38 16 o 83.36286 12.95467 77.04330       21.24795  76.89353       
24.68502  77.47159       41.74400  81.96169 15.37534 76.83134 24.04516 
5.130348       28.54068 
1 1 1 -4  38 17 o 99.71659 8.850772 105.9705       17.76079  140.9693       
25.93867  75.07739       24.36977  113.4934 11.39269 80.05945 15.52915 
33.43399       19.26001 
1 1 1 -4  38 18 o 134.5118 10.48991 198.7040       28.46667  0.000000       
0.000000  198.7040       28.46667  ?        ?        134.5118 10.48991 
0.000000       10.48991 
1 1 1 -4  38 19 o 51.95712 16.54711 35.36377       19.69134  48.03313       
24.08346  9.812853       34.20146  59.03398 18.22924 42.69243 19.11818 
16.34155       26.41609 
1 1 1 -4  39 1  f 50.09451 7.511226 26.37250       7.415729  28.33061       
7.886509  11.42490       21.78973  51.91617 7.703868 42.27616 16.85168 
9.640011       18.52913 
1 1 1 -4  39 2  o 59.70721 6.368433 36.96217       7.613022  36.28240       
8.154495  41.57674       21.24633  59.04576 6.922743 61.13491 16.64302 
-2.089146      18.02538 
1 1 1 -4  39 3  f 55.89968 6.978278 32.58222       7.759693  33.06799       
8.394299  29.72902       20.34404  56.20855 7.533517 52.70312 16.82276 
3.505432       18.43255 
1 1 1 -4  39 4  o 58.37564 6.971605 35.49258       8.112189  32.10993       
8.821555  54.02407       20.64770  55.24907 8.091619 70.01633 14.95606 
-14.76727      17.00465 
1 1 1 -4  39 5  o 97.27087 5.012390 96.98910       9.880981  94.44582       
10.84458  109.4225       23.97789  95.88905 5.585698 101.5600 11.83191 
-5.670914      13.08412 
1 1 1 -4  39 6  o 69.87601 9.235980 51.43114       12.80226  51.43114       
12.80226  0.000000       0.000000  69.87601 9.235980 ?        ?        
0.000000       9.235980 
1 1 1 -4  39 7  o 143.7968 6.535883 212.3719       19.11194  212.3719       
19.11194  0.000000       0.000000  143.7968 6.535883 ?        ?        
0.000000       6.535883 
1 1 1 -4  39 8  o 135.0556 4.683373 186.4715       12.86242  197.3548       
14.73167  151.5633       26.38355  138.8501 5.217403 119.8635 10.94492 
18.98656       12.12487 
1 1 1 -4  39 9  f 26.15712 11.00414 1.312636       9.948600  -2.443821      
11.14719  16.01662       22.05433  25.37156 11.16126 44.53590 17.18822 
-19.16434      20.49411 
1 1 1 -4  39 10 o 192.3065 4.450532 378.1193       17.40434  352.5109       
22.63902  415.1257       27.21477  185.2573 6.009398 200.8056 6.664648 
-15.54839      8.973873 
1 1 1 -4  39 11 o 123.8703 8.529851 160.1422       21.35526  160.1422       
21.35526  0.000000       0.000000  123.8703 8.529851 ?        ?        
0.000000       8.529851 
1 1 1 -4  39 12 o 102.9330 8.857498 111.1909       18.35974  91.33358       
30.92242  122.0022       22.81675  89.20883 17.67060 107.1523 10.61079 
-17.94345      20.61162 
1 1 1 -4  39 13 o 142.3214 6.327080 208.7338       18.31154  199.2823       
24.61975  220.4361       27.39484  137.9378 8.823283 144.8440 9.350660 
-6.906281      12.85633 
1 1 1 -4  39 14 o 222.0637 5.231093 506.3439       23.62226  543.0188       
32.63045  465.9579       34.24159  229.0784 7.004667 211.6692 7.955085 
17.40921       10.59947 
1 1 1 -4  39 15 o 49.31256 14.64125 27.50826       15.74755  15.63799       
21.24947  41.96952       23.45421  43.01739 16.79605 59.64248 17.90477 
-16.62509      24.54970 
1 1 1 -4  39 16 o 30.21908 13.86302 -9.838778      19.34896  -10.14542      
22.35000  -8.921409      38.65773  32.60545 14.93624 43.12654 19.71421 
-10.52109      24.73341 
1 1 1 -4  39 17 o 42.60551 15.03231 19.98368       16.21781  35.74069       
23.14039  4.772788       22.73585  53.84399 17.99275 37.63185 16.25340 
16.21214       24.24690 
1 1 1 -4  39 18 o 64.60789 13.75225 50.14939       17.51357  55.07337       
25.00191  45.40552       24.54041  64.05020 18.28930 58.02147 18.47185 
6.028732       25.99438 
1 1 1 -4  39 19 f 79.18309 12.72098 75.27814       19.78999  45.69809       
23.69139  143.5697       35.99768  56.48210 18.16728 102.8928 17.85163 
-46.41068      25.47020 
1 1 1 -4  40 1  o 85.25069 4.996912 74.59039       8.624814  72.05949       
9.226024  92.13283       24.28969  83.71227 5.449382 92.41822 13.30822 
-8.705948      14.38069 
1 1 1 -4  40 2  o 148.4225 3.812836 224.7654       11.50799  229.2496       
12.62624  202.7611       27.96958  149.8488 4.143521 139.2482 9.942829 
10.60062       10.77166 
1 1 1 -4  40 3  o 130.1896 4.056310 173.0155       10.73888  177.0667       
11.79468  153.3781       25.96808  131.6585 4.405402 120.7443 10.68638 
10.91425       11.55882 
1 1 1 -4  40 4  o 137.8951 4.064122 194.1141       11.39638  195.8547       
12.64288  186.5697       26.32125  138.4510 4.490541 133.5934 9.756272 
4.857605       10.74010 
1 1 1 -4  40 5  o 112.7368 4.628259 129.9133       10.61048  131.4352       
11.65190  122.5234       25.67623  113.3374 5.055596 107.2913 11.97251 
6.046082       12.99615 
1 1 1 -4  40 6  o 96.89540 5.943051 96.67467       11.65364  96.67467       
11.65364  0.000000       0.000000  96.89540 5.943051 ?        ?        
0.000000       5.943051 
1 1 1 -4  40 7  o 137.0614 5.565853 192.5813       15.51309  181.3927       
18.28567  221.3150       29.30333  132.5853 6.805022 145.3089 9.977291 
-12.72359      12.07703 
1 1 1 -4  40 8  o 162.2036 4.372347 268.9391       14.42204  277.4154       
16.52730  241.8805       29.52909  164.6199 4.937057 152.0143 9.601776 
12.60551       10.79670 
1 1 1 -4  40 9  o 130.0867 5.100091 173.3857       13.49156  177.6689       
15.40307  159.2700       27.96226  131.5459 5.758092 122.3775 11.36602 
9.168419       12.74135 
1 1 1 -4  40 10 o 116.2847 11.45161 144.3527       26.72810  0.000000       
0.000000  144.3527       26.72810  ?        ?        116.2847 11.45161 
0.000000       11.45161 
1 1 1 -4  40 11 o 179.4456 5.074930 330.2191       18.51886  301.0024       
24.61329  368.3369       28.11363  170.6317 7.093465 188.6497 7.328404 
-18.01799      10.19915 
1 1 1 -4  40 12 o 115.6817 8.237454 139.9525       19.25142  158.4596       
33.51802  130.8416       23.51742  120.1494 13.97981 110.8488 10.56065 
9.300652       17.52034 
1 1 1 -4  40 13 o 106.7464 7.831374 119.0636       16.88112  143.1075       
23.23938  92.20382       24.56255  116.1666 9.933167 91.35852 13.63899 
24.80811       16.87276 
1 1 1 -4  40 14 o 117.4269 7.390782 143.8210       17.55852  144.8117       
23.83312  142.6449       25.96685  116.5507 10.15729 115.0825 11.23927 
1.468208       15.14898 
1 1 1 -4  40 15 o 73.26881 11.58614 59.13481       16.68867  73.73595       
23.06855  43.10227       24.17286  80.28674 14.67003 59.76941 18.22985 
20.51733       23.39952 
1 1 1 -4  40 16 o 46.63684 16.52831 24.42332       19.62744  20.64282       
23.19674  33.95138       36.82598  45.44650 17.60305 54.88768 21.89851 
-9.441177      28.09648 
1 1 1 -4  40 17 o 41.42927 14.80694 19.19639       15.78380  21.61261       
21.99327  16.63027       22.66522  44.55033 17.17266 42.21165 17.06044 
2.338676       24.20658 
1 1 1 -4  40 18 o 79.54673 10.49127 71.83050       16.55672  89.61913       
24.26842  56.34187       22.64523  85.22471 14.52386 64.91412 16.96579 
20.31059       22.33340 
1 1 1 -4  40 19 o 52.45542 16.38028 38.54103       19.38431  21.24371       
23.49711  75.39403       34.29742  41.84210 17.19668 65.76536 21.90308 
-23.92326      27.84728 
1 1 1 -4  41 1  o 73.92101 5.980222 56.45338       8.912507  56.45338       
8.912507  0.000000       0.000000  73.92101 5.980222 ?        ?        
0.000000       5.980222 
1 1 1 -4  41 2  o 74.37316 5.582582 57.02385       8.381517  53.30696       
8.898046  86.27870       24.96342  71.78617 6.154927 88.76414 14.31688 
-16.97797      15.58384 
1 1 1 -4  41 3  o 191.1450 3.710408 372.8704       14.42235  374.7118       
15.99064  364.8399       33.39329  191.5369 4.105462 187.4957 8.758230 
4.041183       9.672715 
1 1 1 -4  41 4  o 43.60178 9.868642 20.59511       8.546144  20.59511       
8.546144  0.000000       0.000000  43.60178 9.868642 ?        ?        
0.000000       9.868642 
1 1 1 -4  41 5  o 29.91753 10.99313 7.689445       8.778248  7.689445       
8.778248  0.000000       0.000000  29.91753 10.99313 ?        ?        
0.000000       10.99313 
1 1 1 -4  41 6  o 129.6287 4.995098 172.0783       13.16729  172.0783       
13.16729  0.000000       0.000000  129.6287 4.995098 ?        ?        
0.000000       4.995098 
1 1 1 -4  41 7  o 70.77570 8.848226 52.86892       12.45653  60.69611       
15.33774  37.70300       21.34975  75.46086 10.26123 57.71900 17.02524 
17.74186       19.87842 
1 1 1 -4  41 8  o 118.8387 5.070357 144.7518       12.25315  144.2303       
13.82757  146.6588       26.44078  118.4914 5.738622 117.3361 11.21802 
1.155273       12.60062 
1 1 1 -4  41 9  o 87.48647 7.425437 79.77805       13.08558  82.51537       
15.40738  72.69291       24.78797  88.60103 8.662236 80.19945 15.76115 
8.401581       17.98467 
1 1 1 -4  41 10 o 143.7437 4.882899 211.8363       14.27309  205.4621       
16.35484  232.2029       29.23425  141.3559 5.689588 148.3935 9.741911 
-7.037582      11.28168 
1 1 1 -4  41 11 o 129.4624 5.186217 172.0937       13.65355  171.4909       
16.41475  173.4473       24.59672  128.9485 6.259888 128.1893 9.503378 
0.7591858      11.37982 
1 1 1 -4  41 12 o 103.1915 8.959852 112.3421       18.61503  134.2709       
31.51151  100.5877       23.07085  109.9086 14.44910 96.20731 12.05727 
13.70131       18.81899 
1 1 1 -4  41 13 o 94.47959 8.804412 94.36266       16.72088  109.4454       
22.65321  76.30914       24.78398  100.6454 11.26140 81.70082 15.48414 
18.94459       19.14623 
1 1 1 -4  41 14 o 62.83527 12.80834 44.44380       15.81105  54.59233       
21.61152  32.75614       23.19250  68.27386 15.86782 53.25446 18.01192 
15.01940       24.00452 
1 1 1 -4  41 15 o 50.85537 17.98252 29.94312       23.22049  0.000000       
0.000000  29.94312       23.22049  ?        ?        50.85537 17.98252 
0.000000       17.98252 
1 1 1 -4  41 16 o 56.40364 15.82791 39.12215       18.89472  46.24726       
22.81880  23.58190       33.69970  60.29747 17.54891 49.06718 20.41908 
11.23029       26.92403 
1 1 1 -4  41 17 o 30.58013 13.28782 2.224148       15.38106  0.2666589      
22.23868  4.019222       21.29612  34.45345 15.42333 35.28858 15.47765 
-0.8351288     21.85033 
1 1 1 -4  41 18 o 48.92914 14.71322 31.30594       15.82819  7.212926       
23.34533  51.80379       21.53320  36.44314 16.08658 61.18219 16.79625 
-24.73905      23.25709 
1 1 1 -4  42 1  o 74.54423 6.132004 57.52128       9.212966  57.52128       
9.212966  0.000000       0.000000  74.54423 6.132004 ?        ?        
0.000000       6.132004 
1 1 1 -4  42 2  o 62.38756 7.051012 40.65784       8.788427  40.65784       
8.788427  0.000000       0.000000  62.38756 7.051012 ?        ?        
0.000000       7.051012 
1 1 1 -4  42 3  o 111.9409 4.850161 128.3207       11.04069  128.3207       
11.04069  0.000000       0.000000  111.9409 4.850161 ?        ?        
0.000000       4.850161 
1 1 1 -4  42 4  o 82.53249 6.094534 70.41770       10.15626  70.41770       
10.15626  0.000000       0.000000  82.53249 6.094534 ?        ?        
0.000000       6.094534 
1 1 1 -4  42 5  o 41.12381 10.93568 18.46785       9.303511  18.46785       
9.303511  0.000000       0.000000  41.12381 10.93568 ?        ?        
0.000000       10.93568 
1 1 1 -4  42 6  o 20.68315 9.380812 -4.568374      8.537725  -10.44088      
9.354656  24.71727       20.89024  19.17941 9.071167 48.74492 17.07156 
-29.56550      19.33195 
1 1 1 -4  42 7  o 48.63725 12.17003 26.19340       12.00750  28.83239       
14.84004  21.19004       20.43371  50.76404 13.94669 46.29733 16.80844 
4.466717       21.84110 
1 1 1 -4  42 8  o 129.2341 4.866763 171.2317       12.78995  179.2717       
14.52344  143.4538       26.99541  132.1055 5.406261 115.5517 11.64731 
16.55379       12.84085 
1 1 1 -4  42 9  o 33.28290 12.52190 9.358209       11.51675  7.374071       
13.80229  13.90595       20.89600  33.64035 13.41115 42.13216 16.59427 
-8.491806      21.33610 
1 1 1 -4  42 10 o 67.05238 8.691575 47.74987       11.57241  44.99184       
13.32764  56.20097       23.32974  64.42807 10.53680 69.46795 16.71718 
-5.039879      19.76078 
1 1 1 -4  42 11 o 121.2672 5.837129 151.5598       14.39441  158.5357       
16.46316  128.9177       29.66007  123.6398 6.571518 107.8747 13.83993 
15.76511       15.32085 
1 1 1 -4  42 12 o 53.66528 15.34652 33.15975       17.59016  49.24565       
30.39785  25.06168       21.56806  63.56742 20.59250 48.48786 17.31096 
15.07956       26.90205 
1 1 1 -4  42 13 o 73.89939 19.04247 67.05534       28.79485  0.000000       
0.000000  67.05534       28.79485  ?        ?        73.89939 19.04247 
0.000000       19.04247 
1 1 1 -4  42 14 o 42.89958 14.64619 20.18990       15.33617  7.632413       
21.35209  33.57147       22.04158  38.41786 16.13948 53.10992 17.55267 
-14.69207      23.84489 
1 1 1 -4  42 15 o 82.40421 10.06068 74.36745       16.50879  106.6506       
23.92680  45.03456       22.80731  97.20467 12.38591 59.75196 17.58884 
37.45271       21.51228 
1 1 1 -4  42 16 o 129.0271 6.828161 176.0264       17.85204  254.7444       
28.17459  123.2240       23.07529  153.0785 9.091712 104.7189 11.00044 
48.35958       14.27126 
1 1 1 -4  42 17 o 40.19813 15.31555 18.85135       17.36180  29.28925       
31.82230  14.42755       20.71679  47.35374 19.78551 38.76427 16.06045 
8.589470       25.48341 
1 1 1 -4  42 18 o 48.55618 14.40708 31.54619       15.25162  41.71050       
22.83068  23.35455       20.49582  52.29653 17.86997 41.96602 16.46461 
10.33051       24.29855 
1 1 1 -4  43 1  o 115.2091 5.844260 136.8876       13.64720  136.8876       
13.64720  0.000000       0.000000  115.2091 5.844260 ?        ?        
0.000000       5.844260 
1 1 1 -4  43 2  o 82.86001 5.692137 70.90617       9.533002  70.90617       
9.533002  0.000000       0.000000  82.86001 5.692137 ?        ?        
0.000000       5.692137 
1 1 1 -4  43 3  o 96.74864 5.341869 96.39034       10.46896  96.39034       
10.46896  0.000000       0.000000  96.74864 5.341869 ?        ?        
0.000000       5.341869 
1 1 1 -4  43 4  o 39.53615 10.74043 17.08080       8.859347  17.08080       
8.859347  0.000000       0.000000  39.53615 10.74043 ?        ?        
0.000000       10.74043 
1 1 1 -4  43 5  o 42.80809 11.50848 20.17798       10.23466  23.95352       
11.66203  7.524405       21.34966  46.47897 12.18840 39.28604 16.29251 
7.192928       20.34706 
1 1 1 -4  43 6  o 67.10788 7.217424 47.16525       9.694506  53.97390       
10.91592  21.74602       21.09167  71.72964 7.599331 46.70015 17.05822 
25.02949       18.67438 
1 1 1 -4  43 7  o 121.6265 6.046597 152.4913       14.95514  178.8029       
18.68694  105.6179       24.94183  131.2116 7.029038 98.26060 12.78522 
32.95097       14.59004 
1 1 1 -4  43 8  o 153.7935 5.151780 242.9979       16.11190  246.9980       
19.02154  232.8399       30.31188  154.7538 6.044395 148.0690 10.12774 
6.684860       11.79431 
1 1 1 -4  43 9  o 34.61752 12.74364 10.93285       11.80422  19.77318       
14.19028  -8.927173      21.26898  42.80943 14.08061 32.43506 14.74750 
10.37437       20.39001 
1 1 1 -4  43 10 o 63.66013 9.517877 43.59899       11.94315  40.56011       
13.79591  52.68852       23.85966  60.58613 11.62037 66.61837 17.41650 
-6.032242      20.93723 
1 1 1 -4  43 11 o 80.43191 8.182520 68.34259       13.19704  66.78020       
15.14941  73.25938       26.87460  78.93591 9.637936 78.69904 17.26714 
0.2368622      19.77483 
1 1 1 -4  43 12 o 40.13475 13.83510 16.95555       13.69417  20.30899       
18.21649  12.59776       20.76597  44.12486 15.89261 40.78741 16.38428 
3.337452       22.82586 
1 1 1 -4  43 13 o 56.05055 14.63790 36.84391       16.86574  31.38029       
21.19052  46.28672       27.85815  51.64054 17.21736 60.71700 19.71719 
-9.076450      26.17642 
1 1 1 -4  43 14 o 102.0266 8.210738 110.9158       16.89097  77.06819       
23.24859  148.7574       24.58203  80.98203 14.65705 116.6449 10.47503 
-35.66286      18.01542 
1 1 1 -4  43 15 o 37.11554 14.08998 13.76384       14.66098  26.90501       
22.49013  4.052621       19.33357  47.36854 17.56159 34.54583 14.95417 
12.82271       23.06592 
1 1 1 -4  43 16 o 37.26817 14.18519 14.95556       14.88438  17.72547       
22.88259  12.92404       19.59671  41.36246 16.98153 37.91098 15.65648 
3.451477       23.09757 
1 1 1 -4  43 17 o 34.24181 14.33034 10.09364       16.73205  -16.31625      
27.82284  25.05624       20.94217  31.71329 15.17924 43.28011 16.73642 
-11.56682      22.59463 
1 1 1 -4  44 1  o 33.62939 10.42690 12.01770       7.870297  16.58858       
8.442455  -18.31695      21.74894  38.89397 10.45078 30.05381 14.09428 
8.840162       17.54615 
1 1 1 -4  44 2  o 60.26572 9.170310 38.90694       10.88397  33.35796       
12.56062  55.62951       21.80500  54.93137 11.60793 69.50032 15.78767 
-14.56895      19.59578 
1 1 1 -4  44 3  o 89.41939 5.224483 82.43410       9.458734  88.99148       
10.33638  48.66511       23.45647  92.85181 5.498771 64.29717 17.48032 
28.55463       18.32479 
1 1 1 -4  44 4  o 52.30605 8.444162 29.25664       8.675792  34.20249       
9.443907  2.509225       21.96202  56.63903 8.458649 37.29818 16.04187 
19.34086       18.13533 
1 1 1 -4  44 5  o 81.80715 6.812574 69.76144       11.23020  64.43583       
12.95034  85.90926       22.55037  78.14158 8.275763 88.26025 12.94935 
-10.11868      15.36795 
1 1 1 -4  44 6  o 102.1542 5.386503 107.6554       11.15004  114.4730       
12.37325  78.19854       25.71939  105.2271 5.804811 82.47328 15.91196 
22.75380       16.93771 
1 1 1 -4  44 7  o 210.5147 4.153183 453.8760       17.77931  449.9211       
20.16164  467.7068       37.70384  209.3686 4.735469 211.0644 8.784545 
-1.695801      9.979624 
1 1 1 -4  44 8  o 91.45055 7.129523 87.40282       13.15386  90.85925       
15.55523  78.72805       24.64284  92.80014 8.331595 82.98655 15.16134 
9.813591       17.29976 
1 1 1 -4  44 9  o 45.22168 12.10284 22.92737       11.34936  26.40310       
12.97841  11.63073       23.39773  48.31463 12.94729 41.90721 17.18449 
6.407425       21.51602 
1 1 1 -4  44 10 f 123.1097 5.729247 156.4460       14.34304  146.2138       
16.47597  188.4688       29.14707  118.4428 6.870062 132.1502 10.94466 
-13.70739      12.92220 
1 1 1 -4  44 11 o 36.68446 13.22453 13.27132       12.61649  10.50697       
14.53534  21.71693       25.40644  35.80634 13.91611 47.34056 18.39844 
-11.53422      23.06861 
1 1 1 -4  44 12 o 51.35226 12.69355 30.20199       13.17984  14.46417       
15.35997  74.13911       25.66456  38.73415 14.48291 78.68136 16.56406 
-39.94721      22.00279 
1 1 1 -4  44 13 o 103.6814 9.078439 115.6502       18.94808  115.3852       
23.90454  116.0980       31.07929  101.7189 11.77420 98.52717 16.06556 
3.191704       19.91818 
1 1 1 -4  44 14 o 40.24506 14.37807 17.96525       14.88132  8.163403       
21.46629  27.03428       20.64826  37.67324 16.02163 47.36492 16.93486 
-9.691681      23.31270 
1 1 1 -4  44 15 o 67.84672 12.98835 55.09548       17.26716  50.70369       
22.84933  60.94279       26.36521  61.19053 17.48825 65.95222 18.76363 
-4.761684      25.64981 
1 1 1 -4  44 16 o 31.77901 13.35869 7.155387       14.64274  20.94591       
21.99293  -3.825121      19.62474  41.57684 16.80493 30.36656 13.94202 
11.21028       21.83542 
1 1 1 -4  44 17 o 52.13117 15.07287 38.08788       16.88343  -24.83844      
30.88278  64.91197       20.16335  30.84210 15.05178 69.36019 14.74943 
-38.51809      21.07372 
1 1 1 -4  45 1  o 86.48164 5.405409 77.31240       9.458447  77.90141       
10.26845  74.01468       24.29698  86.68805 5.859378 80.19004 15.46026 
6.498009       16.53335 
1 1 1 -4  45 2  o 65.46370 6.659460 44.84905       8.741807  42.55894       
9.530349  56.99538       21.94839  63.50352 7.526533 69.99177 15.79571 
-6.488243      17.49723 
1 1 1 -4  45 3  o 62.26643 7.107411 40.77825       8.838217  42.23566       
9.712739  33.76087       21.31266  63.19934 7.717834 53.93173 17.21897 
9.267609       18.86950 
1 1 1 -4  45 4  o 85.39545 5.715921 75.53980       9.868647  79.35313       
10.85717  57.41293       23.67150  87.40964 6.147216 69.65140 16.88745 
17.75824       17.97148 
1 1 1 -4  45 5  o 42.59538 11.73736 20.22273       10.49250  21.81485       
12.18892  15.66727       20.61783  44.13345 12.82049 42.48284 16.55641 
1.650604       20.93990 
1 1 1 -4  45 6  o 171.0127 4.293781 299.8652       14.93206  302.0519       
16.78554  291.5716       32.68972  171.4508 4.814425 165.5252 9.754827 
5.925583       10.87820 
1 1 1 -4  45 7  o 143.4788 5.333918 212.0968       15.56272  219.0099       
18.07628  192.2945       30.59345  145.5009 6.109307 133.1310 11.41078 
12.36986       12.94332 
1 1 1 -4  45 8  o 139.8918 5.578507 201.9433       15.86945  202.7115       
18.93357  200.1293       29.09598  139.7204 6.663788 136.3472 10.57663 
3.373230       12.50085 
1 1 1 -4  45 9  o 85.10352 7.318447 76.09310       12.54217  82.65129       
14.54730  57.10040       24.75617  88.37105 8.188105 68.60371 17.64521 
19.76734       19.45247 
1 1 1 -4  45 10 o 72.17920 8.895870 55.86421       12.78093  52.72603       
14.73156  65.41629       25.70152  69.26537 10.81200 73.38554 17.47348 
-4.120163      20.54804 
1 1 1 -4  45 11 f 67.07751 10.19651 49.31284       13.47050  41.47872       
15.61148  72.14368       26.65078  60.04227 13.15005 76.74100 17.46976 
-16.69872      21.86588 
1 1 1 -4  45 12 o 59.55061 11.60810 40.17850       13.55208  37.85369       
15.73569  46.85481       26.66615  56.68302 13.78446 60.10185 19.26811 
-3.418827      23.69117 
1 1 1 -4  45 13 o 70.50060 12.49659 57.47884       17.25987  72.78922       
21.67509  30.94687       28.53333  78.27947 14.13660 50.41246 19.52413 
27.86701       24.10467 
1 1 1 -4  45 14 o 66.67952 11.16522 51.11013       14.60423  58.19286       
21.88852  45.42732       19.60641  67.15288 16.21275 59.32843 15.91980 
7.824444       22.72209 
1 1 1 -4  45 15 f 41.76375 15.08301 21.99877       16.42261  19.06526       
22.06227  25.64402       24.59352  40.92721 16.72366 44.45879 17.84053 
-3.531578      24.45333 
1 1 1 -4  45 16 o 30.32652 12.98159 5.964152       14.26020  3.906945       
22.31549  7.384045       18.53938  33.63809 15.21962 33.23254 14.51184 
0.4055481      21.02927 
1 1 1 -4  46 1  o 53.06533 8.590024 30.33765       8.952710  32.89921       
9.710725  15.82506       23.11380  55.17812 8.961824 43.47957 17.34834 
11.69855       19.52637 
1 1 1 -4  46 2  o 83.13082 5.661994 71.68398       9.514557  77.79816       
10.46053  42.39196       22.89597  86.52158 5.982082 59.25563 17.66823 
27.26595       18.65347 
1 1 1 -4  46 3  o 161.5337 4.107559 267.5011       13.49269  266.8471       
14.98142  270.3097       31.04692  161.1787 4.570817 159.2147 9.634602 
1.963959       10.66386 
1 1 1 -4  46 4  o 21.48909 9.552701 -2.422469      8.374776  0.3614317      
9.271583  -14.76051      19.51866  24.38423 10.45349 28.80473 13.45815 
-4.420500      17.04105 
1 1 1 -4  46 5  f 65.62745 8.711126 46.13887       11.33822  39.03418       
12.88579  70.50234       23.86208  59.36400 11.08181 77.64894 15.65255 
-18.28494      19.17834 
1 1 1 -4  46 6  o 77.57146 6.819645 63.06655       10.64831  58.65723       
11.87979  81.08762       24.01669  74.38103 7.978679 84.05050 14.58006 
-9.669464      16.62040 
1 1 1 -4  46 7  o 103.7660 6.374183 112.1596       13.38516  117.6623       
15.75291  97.86963       25.38551  105.8731 7.362650 92.91467 13.85929 
12.95844       15.69358 
1 1 1 -4  46 8  o 92.19949 6.557490 88.81052       12.21453  81.74459       
13.94260  112.1329       25.33058  87.91343 7.882698 100.2310 12.71357 
-12.31762      14.95901 
1 1 1 -4  46 9  o 68.24625 9.243699 50.35357       12.49839  42.11044       
14.33950  76.41336       25.49607  61.12066 11.96533 80.06628 16.21525 
-18.94563      20.15201 
1 1 1 -4  46 10 o 111.1612 6.345763 129.0374       14.28512  145.2521       
16.76166  86.00321       27.30677  117.6076 7.040960 84.48229 16.48656 
33.12531       17.92712 
1 1 1 -4  46 11 o 86.58482 8.127128 80.14352       14.14224  59.91277       
15.98058  153.2112       30.37031  73.23759 11.07610 115.8643 13.12117 
-42.62669      17.17105 
1 1 1 -4  46 12 o 26.99244 11.97722 -1.707622      13.10725  -7.244407      
14.96584  16.52324       27.15663  26.46149 12.15872 43.61629 18.25535 
-17.15480      21.93382 
1 1 1 -4  46 13 o 35.09839 13.57293 12.03445       13.77380  15.09659       
15.85590  2.617668       27.80545  37.98841 14.59750 38.07805 17.13042 
-0.8964157E-01 22.50641 
1 1 1 -4  46 14 o 31.39532 12.56793 8.641686       12.17260  22.73732       
16.11487  -10.08714      18.57547  42.39997 14.98187 27.84718 13.04859 
14.55280       19.86761 
1 1 1 -4  46 15 o 29.37937 13.08319 1.743827       15.77922  24.91225       
21.74572  -24.02100      22.93186  42.46992 16.86431 26.91074 13.09725 
15.55918       21.35282 
1 1 1 -4  46 16 o 63.00185 12.30735 50.89716       15.20223  68.37017       
24.17145  39.46254       19.55374  65.63931 17.70286 50.17070 16.53008 
15.46861       24.22054 
1 1 1 -4  47 1  o 91.76211 6.375654 87.90757       11.82320  92.90845       
13.35047  69.72512       25.45657  94.08785 7.028439 75.97180 16.91258 
18.11605       18.31487 
1 1 1 -4  47 2  o 34.27742 10.96359 12.64084       8.637332  6.811156       
9.342199  46.95855       22.66656  29.14824 11.20387 61.93878 17.31994 
-32.79054      20.62782 
1 1 1 -4  47 3  o 52.14302 8.942800 29.54656       9.141109  33.61935       
10.02239  9.395467       22.29333  55.60731 9.183763 39.71211 16.57373 
15.89520       18.94809 
1 1 1 -4  47 4  o 125.7822 4.691574 162.7972       12.00021  172.4016       
13.38630  123.4915       27.08027  129.3031 5.090965 104.9255 12.96772 
24.37766       13.93125 
1 1 1 -4  47 5  o 78.59745 7.683709 65.40102       12.12384  63.45165       
13.94526  71.43547       24.53570  76.80342 9.106200 77.46056 16.10174 
-0.6571350     18.49835 
1 1 1 -4  47 6  o 76.65055 15.63888 69.54618       23.55100  0.000000       
0.000000  69.54618       23.55100  ?        ?        76.65055 15.63888 
0.000000       15.63888 
1 1 1 -4  47 7  o 80.97720 7.851791 69.59727       12.76707  71.24541       
15.33992  65.88238       23.03031  81.18587 9.469546 74.38857 15.71680 
6.797295       18.34912 
1 1 1 -4  47 8  o 80.39523 7.619562 68.53573       12.30823  74.18544       
14.14045  50.87395       25.00158  83.27817 8.467678 63.40302 18.34505 
19.87515       20.20501 
1 1 1 -4  47 9  o 69.92853 9.410205 53.28269       13.04179  43.99580       
15.08544  80.76236       25.94948  61.95828 12.40582 81.66838 16.19714 
-19.71010      20.40224 
1 1 1 -4  47 10 o 41.87578 13.20052 20.24928       12.55653  23.14344       
14.53376  11.73023       24.93514  44.40935 14.22356 41.16236 17.37454 
3.246986       22.45405 
1 1 1 -4  47 11 o 32.15910 12.95858 7.792003       13.03414  7.821712       
15.13120  7.706549       25.66217  33.57561 13.79961 39.38846 17.13947 
-5.812843      22.00433 
1 1 1 -4  47 12 o 115.7612 6.475991 141.8205       15.18363  134.1473       
17.38847  166.4530       31.15488  111.6738 7.704120 118.6146 13.13685 
-6.940727      15.22926 
1 1 1 -4  47 13 o 23.89629 11.11096 -7.509244      13.05055  -17.93686      
14.86170  27.62196       27.27863  22.41574 10.82206 45.81790 18.64455 
-23.40217      21.55774 
1 1 1 -4  47 14 o 24.09760 11.15298 -5.659854      12.92228  -18.37151      
14.20042  55.57072       31.16623  21.34344 10.36886 55.68818 20.66790 
-34.34474      23.12305 
1 1 1 -4  47 15 o 27.70236 12.59604 -0.3870035     15.51743  0.9543933      
21.17136  -1.944094      22.81009  31.31799 14.41654 31.22534 14.57552 
0.9265709E-01  20.50079 
1 1 1 -4  48 1  o 24.01713 10.45119 -0.5092152     9.542500  -0.9794366     
10.46249  1.817299       23.27216  24.82974 10.87050 36.86782 16.17483 
-12.03808      19.48828 
1 1 1 -4  48 2  o 24.09327 10.24402 1.053482       8.772101  3.848018       
9.425784  -17.02361      23.97326  26.80249 10.93918 31.47152 14.77138 
-4.669033      18.38095 
1 1 1 -4  48 3  o 46.04990 10.24268 23.70734       9.343858  25.22777       
10.32951  16.86165       21.91818  47.28396 10.95708 42.80194 16.95161 
4.482018       20.18451 
1 1 1 -4  48 4  o 60.14626 8.529192 39.04741       10.13978  43.89738       
11.35868  20.01832       22.49920  63.61914 9.033625 44.64793 17.32445 
18.97121       19.53824 
1 1 1 -4  48 5  o 101.8042 7.426023 109.4569       15.26749  111.8557       
18.65891  104.5973       26.55796  101.9895 9.091966 95.08788 14.16722 
6.901588       16.83371 
1 1 1 -4  48 6  o 32.57799 13.70682 4.714847       15.43824  -24.47818      
22.53842  30.51893       21.18986  28.44176 13.62614 50.38553 17.21586 
-21.94377      21.95581 
1 1 1 -4  48 7  o 28.05211 11.60209 3.858195       10.78432  -6.131680      
12.48969  33.13047       21.37962  24.53827 11.21261 51.90873 17.29340 
-27.37046      20.61030 
1 1 1 -4  48 8  o 71.21227 8.545759 54.80602       12.12817  50.45980       
14.10309  67.14653       23.76431  67.21675 10.67460 73.78721 16.27481 
-6.570457      19.46321 
1 1 1 -4  48 9  o 66.08111 9.890445 48.43891       12.88198  55.26339       
14.87835  28.00423       25.74566  70.14106 10.77582 48.51735 18.61098 
21.62371       21.50551 
1 1 1 -4  48 10 o 32.08266 12.77780 8.389931       12.51828  7.090667       
14.34758  12.53280       25.62010  32.49177 13.40558 40.92712 17.45662 
-8.435356      22.01007 
1 1 1 -4  48 11 f 35.19507 13.21170 13.00732       12.80659  19.27668       
14.74405  -6.255710      25.84447  40.38062 14.32381 34.19080 15.80615 
6.189819       21.33087 
1 1 1 -4  48 12 o 29.36265 12.42957 4.750294       12.82036  -5.547650      
14.79611  35.77090       25.68014  26.22930 12.06591 49.53846 18.68565 
-23.30916      22.24275 
1 1 1 -4  48 13 o 34.62469 13.30388 13.64820       13.16949  2.394398       
14.99610  51.58594       27.53369  29.16295 12.88196 55.31068 19.57901 
-26.14773      23.43678 
1 1 1 -4  48 14 o 65.83987 10.50180 52.42043       13.58818  55.47272       
15.02666  38.72883       31.82559  66.76505 11.48178 45.64571 19.46240 
21.11934       22.59682 
1 1 1 -4  48 15 o 21.13894 9.948410 -6.594884      11.00012  -4.541427      
14.15298  -9.728055      17.48225  24.62503 11.49008 25.38147 12.11663 
-0.7564373     16.69834 
1 1 1 -4  49 1  o 92.76019 6.317410 90.24962       11.84563  95.17905       
13.33916  71.86053       25.76380  94.96680 6.955641 75.77280 17.12344 
19.19399       18.48224 
1 1 1 -4  49 2  o 148.4426 4.890932 227.6823       14.76391  240.3343       
16.78914  184.5255       31.00792  152.2324 5.423377 128.1629 12.03868 
24.06955       13.20389 
1 1 1 -4  49 3  o 134.8535 5.163287 188.2538       14.15925  204.3635       
16.61380  145.4949       27.06683  140.1633 5.828853 113.8625 11.86399 
26.30089       13.21854 
1 1 1 -4  49 4  f 23.45985 10.51052 -3.060527      10.35004  2.052407       
11.80699  -20.02715      21.50810  27.84355 11.86270 28.51324 13.56369 
-0.6696873     18.01937 
1 1 1 -4  49 5  o 48.24255 11.74501 26.86157       11.41414  18.98253       
13.07910  52.03315       23.37741  40.81857 13.52253 63.75592 17.49987 
-22.93735      22.11570 
1 1 1 -4  49 6  o 32.37766 13.84611 3.795772       16.19436  -20.40986      
22.70506  28.86108       23.10474  29.24238 13.91780 48.81848 17.85041 
-19.57610      22.63499 
1 1 1 -4  49 7  o 71.20805 8.491261 55.01553       12.05320  57.84653       
13.98514  46.83956       23.76652  72.34211 9.755339 59.58290 18.05443 
12.75921       20.52143 
1 1 1 -4  49 8  o 85.16902 7.476089 77.62722       12.81715  83.26619       
14.79516  60.66617       25.65937  87.66663 8.402078 67.21601 18.28643 
20.45061       20.12432 
1 1 1 -4  49 9  o 64.79612 10.08976 47.35641       12.86204  41.85247       
14.98977  62.72114       25.04495  59.09731 12.84021 68.11202 17.86169 
-9.014717      21.99797 
1 1 1 -4  49 10 o 31.87495 12.78247 8.656113       12.61605  25.64591       
14.68747  -39.15730      24.63926  45.12400 14.28236 26.18663 12.91273 
18.93737       19.25421 
1 1 1 -4  49 11 o 46.81917 14.00370 28.33746       14.36670  12.31407       
17.02178  68.02198       26.78788  35.76439 14.66044 67.54045 18.80846 
-31.77606      23.84715 
1 1 1 -4  49 12 o 31.17546 12.69883 8.945985       12.67052  16.13535       
14.45834  -14.85111      26.30480  36.53187 13.96262 30.66336 14.69847 
5.868511       20.27313 
1 1 1 -4  49 13 o 98.22979 7.276636 106.9483       14.43196  102.7736       
16.12752  123.7292       32.33430  94.95856 8.439813 88.17733 18.61676 
6.781227       20.44050 
1 1 1 -4  49 14 o 33.75446 13.54804 14.65960       14.18607  14.65960       
14.18607  0.000000       0.000000  33.75446 13.54804 ?        ?        
0.000000       13.54804 
1 1 1 -4  50 1  o 78.38102 7.413644 65.67525       11.67630  71.02485       
13.17989  46.16015       25.17307  81.16428 8.093301 58.46080 18.71869 
22.70349       20.39340 
1 1 1 -4  50 2  o 58.62313 9.567905 38.19326       11.01259  38.71983       
12.21233  35.90134       25.47809  58.46097 10.66561 52.39934 18.80336 
6.061630       21.61763 
1 1 1 -4  50 3  o 98.39242 6.415945 102.0079       12.76705  111.2889       
14.66338  72.92576       25.95679  102.4007 7.085294 75.24384 17.32253 
27.15683       18.71554 
1 1 1 -4  50 4  o 67.44112 8.841305 49.79103       11.83322  49.15380       
13.55038  51.83812       24.28697  66.12566 10.42207 62.33066 18.09433 
3.794998       20.88119 
1 1 1 -4  50 5  o 27.95544 11.73913 3.485264       11.28835  0.9241461      
13.45530  9.571929       20.74284  28.46498 12.39825 37.53537 15.84537 
-9.070393      20.11945 
1 1 1 -4  50 6  o 21.77361 10.52451 -18.86016      14.16115  -18.70949      
18.17849  -19.09272      22.58495  25.64561 12.27357 29.07078 13.84846 
-3.425167      18.50460 
1 1 1 -4  50 7  o 34.72322 12.75266 12.78639       11.81111  15.51119       
13.62664  4.555737       23.68311  37.45036 13.70631 36.58195 16.17242 
0.8684082      21.19929 
1 1 1 -4  50 8  o 34.89671 12.71492 13.30127       11.70796  20.26645       
13.77276  -4.845818      22.23095  40.90007 13.88000 32.28516 14.82882 
8.614906       20.31128 
1 1 1 -4  50 9  o 23.14248 10.73799 -6.874803      12.08985  -6.852078      
13.96156  -6.942922      24.17242  25.01489 11.58290 32.44684 15.09831 
-7.431950      19.02952 
1 1 1 -4  50 10 o 58.46220 11.68875 41.42670       13.41049  46.31767       
15.33767  25.55038       27.63357  60.95969 12.78115 43.84010 18.38606 
17.11959       22.39207 
1 1 1 -4  50 11 o 27.56123 12.28908 0.9599067      13.96939  -11.63698      
16.62495  31.21663       25.76556  25.12189 11.94299 44.75914 18.15488 
-19.63726      21.73096 
1 1 1 -4  50 12 o 51.58688 12.39628 34.94098       12.84241  21.04816       
14.35937  90.46869       28.70748  38.88127 14.09426 73.22807 19.08453 
-34.34681      23.72483 
1 1 1 -4  50 13 o 25.87856 11.56989 1.874272       12.47175  1.489236       
13.89720  3.467617       28.27039  26.63974 12.03575 33.05583 15.67371 
-6.416092      19.76169 
1 1 1 -4  51 1  o 99.89660 6.836701 106.3401       13.80479  124.0403       
15.97163  54.05956       27.44919  107.5478 7.346874 60.91019 19.55125 
46.63765       20.88607 
1 1 1 -4  51 2  o 82.21200 6.718463 72.01653       11.13382  66.52624       
12.32722  96.32465       25.93839  78.35492 7.841839 87.98514 15.03731 
-9.630219      16.95922 
1 1 1 -4  51 3  o 87.19556 7.096589 81.39556       12.47416  83.52624       
14.26966  74.49110       25.68738  87.68659 8.093913 74.89009 17.22612 
12.79650       19.03289 
1 1 1 -4  51 4  o 32.08251 12.94979 8.367676       13.04055  12.87435       
16.19968  0.7110789E-01  21.98001  36.50533 14.53684 33.87020 15.23464 
2.635132       21.05740 
1 1 1 -4  51 5  f 25.26999 11.00970 0.5477517      10.61679  -3.906405      
12.30833  13.49440       20.98433  24.76704 11.24471 38.63983 16.09906 
-13.87280      19.63729 
1 1 1 -4  51 6  o 21.34810 10.36839 -19.66769      14.17413  -24.50607      
17.97401  -11.71035      23.05043  23.74867 11.56638 30.67468 14.42518 
-6.926004      18.48965 
1 1 1 -4  51 7  o 80.19142 7.832460 70.33080       12.60948  65.79565       
14.51198  84.30560       25.47442  76.26649 9.567678 79.52277 16.30047 
-3.256271      18.90095 
1 1 1 -4  51 8  o 74.54737 9.367751 63.10230       13.88740  85.53926       
16.68302  12.47009       25.06144  86.66183 9.629448 38.47814 16.83556 
48.18370       19.39491 
1 1 1 -4  51 9  o 55.48713 11.78057 37.96537       12.88173  37.82353       
14.62732  38.45551       27.19134  53.96022 13.39308 48.61391 18.99462 
5.346302       23.24156 
1 1 1 -4  51 10 o 79.41417 8.667065 72.00982       13.76931  75.70432       
15.92330  61.05799       27.41566  80.05492 9.999305 58.64142 19.58451 
21.41350       21.98952 
1 1 1 -4  51 11 o 78.85437 9.906053 74.69352       15.53408  88.73071       
18.40358  39.91090       28.96966  84.62386 10.95133 45.23499 18.88715 
39.38886       21.83245 
1 1 1 -4  51 12 o 22.39991 10.54530 -6.098805      12.37829  -7.355797      
13.86934  -1.177569      27.44268  23.20135 10.99450 31.48377 15.07091 
-8.282417      18.65506 
1 1 1 -4  51 13 o 24.32295 11.11346 0.1126997      12.26710  3.895717       
13.66605  -15.57880      27.83275  26.80730 12.03911 28.04498 13.80864 
-1.237677      18.31990 
1 1 1 -4  52 1  o 28.12484 11.45442 5.883943       10.30688  4.319530       
11.37939  13.02921       24.31937  27.93160 11.76072 38.81369 16.78679 
-10.88209      20.49660 
1 1 1 -4  52 2  o 53.57541 10.36632 33.47047       10.88553  30.08950       
12.15384  47.18060       24.47449  49.57917 12.14975 56.19164 18.49242 
-6.612473      22.12660 
1 1 1 -4  52 3  o 72.79702 13.26529 65.54700       18.91379  50.16449       
29.54967  76.22269       24.61712  55.76463 20.21795 74.91914 16.59539 
-19.15451      26.15669 
1 1 1 -4  52 4  o 74.06962 13.36972 68.21672       19.39688  95.71794       
29.05980  46.11869       26.04915  82.37320 17.86273 54.61391 19.06688 
27.75929       26.12706 
1 1 1 -4  52 5  o 44.34608 15.64393 26.45667       17.56369  17.03592       
27.80079  32.71450       22.65825  40.87222 17.81136 47.53999 17.62672 
-6.667774      25.05884 
1 1 1 -4  52 6  o 38.11484 15.43516 16.64824       18.59211  46.41693       
28.85356  -4.487228      24.31227  52.72379 19.82319 32.49196 15.12685 
20.23183       24.93553 
1 1 1 -4  52 7  o 96.72373 10.43715 109.8712       20.20362  116.2861       
32.07092  105.6503       26.01473  88.10941 18.48895 89.17418 14.86956 
-1.064766      23.72646 
1 1 1 -4  52 8  o 81.98023 12.76387 85.49467       20.58612  70.54140       
31.81571  96.26366       26.99983  60.72501 21.07914 81.19720 16.90160 
-20.47219      27.01841 
1 1 1 -4  52 9  o 28.17466 13.22006 -5.195189      19.17809  -26.13703      
31.12764  7.617974       24.34820  29.78529 14.65345 34.28252 15.66139 
-4.497231      21.44767 
1 1 1 -4  52 10 o 60.75112 16.79905 60.11764       21.44973  70.31757       
33.37963  52.94315       27.99486  54.29063 21.09172 50.19563 19.36730 
4.095009       28.63482 
1 1 1 -4  52 11 o 28.44516 13.43055 -1.669531      20.34839  5.594049       
30.82026  -7.282365      27.09269  33.14100 15.89247 29.72129 14.41196 
3.419704       21.45402 
1 1 1 -4  52 12 o 32.29024 14.72344 13.17425       21.39157  -12.80265      
32.28461  33.50449       28.56097  29.37581 14.53968 38.37304 17.30310 
-8.997236      22.60087 
1 1 1 -4  53 1  o 50.08634 10.78488 30.40230       10.65983  37.12776       
11.88606  2.759382       24.09731  55.36872 10.94450 33.92113 15.52798 
21.44759       18.99737 
1 1 1 -4  53 2  o 79.61199 7.075319 69.32723       11.33511  63.72327       
12.59555  93.19833       25.99592  75.27215 8.370463 81.65189 16.22797 
-6.379738      18.25957 
1 1 1 -4  53 3  o 33.00411 11.92103 12.74071       10.25922  12.37558       
11.44678  14.23159       23.13026  33.00995 12.46950 37.55564 16.30683 
-4.545689      20.52806 
1 1 1 -4  53 4  o 25.79315 11.44068 0.5799735      11.94808  -2.297840      
14.06692  8.033078       22.63790  26.24545 11.95647 34.95279 15.61010 
-8.707340      19.66297 
1 1 1 -4  53 5  o 56.78826 10.28144 38.57468       11.43597  44.02795       
12.90619  18.64681       24.67176  60.16420 10.95243 39.10770 16.91096 
21.05650       20.14787 
1 1 1 -4  53 6  o 77.18676 10.16182 70.98347       15.56246  81.30325       
19.93896  54.89721       24.89400  79.53690 12.75905 56.58395 18.65162 
22.95296       22.59815 
1 1 1 -4  53 7  o 58.03773 10.64604 41.44807       12.10160  28.82766       
13.59069  89.75799       26.59028  45.39652 13.62978 75.46102 17.64367 
-30.06450      22.29506 
1 1 1 -4  53 8  f 26.59593 11.96293 1.524945       13.55382  -7.774165      
16.15579  23.62360       24.90522  25.03884 11.86551 38.76872 16.87732 
-13.72988      20.63091 
1 1 1 -4  53 9  o 27.70625 11.82822 6.623913       11.78173  -1.387804      
13.35615  34.72314       25.01300  24.85774 11.44562 41.88635 17.52470 
-17.02862      20.93125 
1 1 1 -4  53 10 o 30.31930 12.46089 11.49825       12.33734  10.95804       
13.97589  13.40536       26.25939  30.35874 12.91965 33.40327 15.60780 
-3.044535      20.26131 
1 1 1 -4  53 11 o 29.73057 12.77202 11.09347       13.89217  8.197362       
16.12032  19.45161       27.38550  28.94016 13.02919 33.80075 15.83999 
-4.860584      20.51012 
1 1 1 -4  54 1  o 97.61581 6.037374 103.3613       11.92567  107.6942       
13.35248  86.27576       26.51482  98.96828 6.673563 72.84578 18.00274 
26.12250       19.19987 
1 1 1 -4  54 2  o 20.35167 9.545178 -6.277623      9.979174  -12.71132      
11.00446  23.50240       23.67560  19.21988 9.287117 39.54866 16.82272 
-20.32878      19.21599 
1 1 1 -4  54 3  o 36.55780 12.23115 17.62332       10.69339  18.64070       
11.79908  12.94549       25.30041  37.21865 12.84147 35.86347 16.21793 
1.355179       20.68634 
1 1 1 -4  54 4  o 27.94093 12.05244 5.288141       12.46963  2.664579       
14.42055  13.06429       24.82667  27.83660 12.44347 35.59255 16.08313 
-7.755949      20.33487 
1 1 1 -4  54 5  o 47.90745 11.94242 30.41565       11.59360  37.41111       
12.96404  2.477082       25.90803  52.99865 12.27084 32.54269 15.30029 
20.45597       19.61307 
1 1 1 -4  54 6  o 42.39906 12.63865 25.15911       11.71704  19.49969       
13.52331  42.20147       23.46725  36.80520 13.62331 46.83692 17.81528 
-10.03172      22.42719 
1 1 1 -4  54 7  f 32.78775 12.52245 14.48161       11.62426  26.81090       
13.22601  -27.37273      24.36858  42.23730 13.57284 25.25348 12.52288 
16.98382       18.46740 
1 1 1 -4  54 8  o 75.16994 8.573117 67.69537       12.87049  72.06011       
14.72202  53.54311       26.50949  75.96155 9.756135 47.75798 18.72869 
28.20356       21.11743 
1 1 1 -4  54 9  o 37.96709 13.05244 22.62213       12.18462  32.39996       
13.64162  -15.95634      27.09676  45.03435 13.68559 27.05874 13.37981 
17.97561       19.13935 
1 1 1 -4  54 10 o 36.93978 13.13214 22.49050       12.39936  21.74553       
13.83943  25.52165       27.91599  35.57063 13.64500 34.28282 16.04255 
1.287811       21.06061 
1 1 1 -4  55 1  o 16.12720 7.960201 -16.22841      9.443678  -13.48276      
10.56798  -27.11181      21.04025  18.12065 8.834891 23.36672 11.59557 
-5.246071      14.57781 
1 1 1 -4  55 2  o 37.08636 11.94191 19.20138       10.23451  15.75147       
11.34946  34.21735       23.67817  33.66342 12.47643 41.42349 17.16674 
-7.760075      21.22165 
1 1 1 -4  55 3  o 21.15940 9.835323 -3.714862      10.21308  -2.589331      
11.25647  -8.955669      24.28973  22.57261 10.43384 28.24452 13.68396 
-5.671904      17.20802 
1 1 1 -4  55 4  o 44.98750 13.07524 29.88513       12.67526  28.75303       
15.25771  32.40659       22.77045  41.88854 14.59422 40.49384 16.81232 
1.394703       22.26310 
1 1 1 -4  55 5  o 60.09897 9.858877 45.50490       11.63094  47.65242       
12.98769  36.80719       26.13758  60.11423 11.03087 40.65696 17.49369 
19.45727       20.68114 
1 1 1 -4  55 6  o 20.46655 9.710825 -6.350310      10.88700  -8.448240      
12.48110  0.3249868      22.26345  21.14939 10.13444 28.74091 13.70737 
-7.591524      17.04696 
1 1 1 -4  55 7  o 34.46414 12.63032 18.31968       11.57669  10.61342       
13.24753  43.21994       23.81304  29.22190 12.51055 42.51878 17.37434 
-13.29688      21.40985 
1 1 1 -4  55 8  o 29.94217 12.23367 12.89220       11.80440  17.56363       
13.24954  -5.086248      25.99273  32.82817 13.12252 27.63499 13.55418 
5.193178       18.86574 
1 1 1 -4  55 9  o 67.56853 9.467898 59.49593       12.65198  61.61698       
14.32440  51.97037       26.98174  66.39663 10.99380 41.08158 17.72481 
25.31505       20.85743 
1 1 1 -4  56 1  o 24.60285 10.51318 5.479405       9.323380  9.237144       
10.50898  -8.412444      20.20586  27.53326 11.42558 25.28613 12.30372 
2.247131       16.79063 
1 1 1 -4  56 2  o 57.57348 9.244144 41.94320       10.45660  42.46589       
11.80330  40.03672       22.54222  56.07513 10.74209 41.27691 16.88992 
14.79822       20.01654 
1 1 1 -4  56 3  o 38.20754 12.03321 22.02315       10.43600  20.44859       
11.78541  27.74199       22.46053  35.79472 12.79459 36.00865 15.84182 
-0.2139359     20.36332 
1 1 1 -4  56 4  o 21.46579 10.26378 -6.519904      12.64921  12.94637       
15.25352  -49.38161      22.63411  30.25552 13.18881 20.51181 10.41206 
9.743713       16.80344 
1 1 1 -4  56 5  o 41.19676 12.31973 26.30329       11.11997  30.67901       
12.44774  9.012492       24.74422  43.62984 13.03160 29.91204 14.31650 
13.71780       19.35936 
1 1 1 -4  56 6  o 38.12778 12.61933 23.77680       11.39125  20.37091       
13.11483  34.24009       22.98696  34.18110 13.23697 36.86449 16.12678 
-2.683395      20.86362 
1 1 1 -4  56 7  o 23.57779 10.76813 2.646683       11.50027  -2.527247      
12.99251  21.36897       24.71508  22.43832 10.63534 31.70832 14.91936 
-9.270000      18.32206 
1 1 1 -4  56 8  o 24.40149 10.96300 5.230921       11.34405  7.151392       
13.01222  -0.8517426     23.15765  25.83060 11.66040 26.19583 12.83720 
-0.3652363     17.34239 
1 1 1 -4  57 1  o 16.18275 7.962588 -12.42712      9.202568  -6.753343      
10.27753  -35.37299      20.66831  18.90466 9.094603 20.28510 10.25829 
-1.380432      13.70928 
1 1 1 -4  57 2  o 16.90584 8.267999 -10.85926      9.463790  -12.55872      
10.75211  -5.015106      19.93885  17.65543 8.671187 24.62309 12.03350 
-6.967659      14.83222 
1 1 1 -4  57 3  o 27.02230 11.26891 10.21214       10.29484  6.501293       
11.64864  23.45100       22.00211  25.18243 11.22566 31.96516 14.70786 
-6.782726      18.50234 
1 1 1 -4  57 4  o 49.93820 12.99096 41.42993       13.31787  46.63478       
16.45291  31.53882       22.68095  48.36033 15.08926 34.15549 15.40870 
14.20484       21.56649 
1 1 1 -4  57 5  o 36.24703 12.48558 22.97551       11.15191  18.28532       
12.48296  41.51689       24.81954  31.66149 12.70850 36.04055 16.20191 
-4.379057      20.59145 
1 1 1 -4  57 6  o 22.52831 10.63407 0.4407694E-01  12.74154  0.4407694E-01  
12.74154  0.000000       0.000000  22.52831 10.63407 ?        ?        
0.000000       10.63407 
1 1 1 -3  0  1  o 810.3860 9.782023 6684.242       161.1497  6684.242       
161.1497  6684.242       161.1497  810.3860 9.782023 810.3860 9.782023 
0.000000       0.000000 
1 1 1 -3  0  2  o 57.43221 4.829429 34.24853       5.548549  34.24853       
5.548549  34.24853       5.548549  57.43221 4.829429 57.43221 4.829429 
0.000000       0.000000 
1 1 1 -3  0  3  o 145.1243 4.050969 214.6651       11.93396  214.6651       
11.93396  214.6651       11.93396  145.1243 4.050969 145.1243 4.050969 
0.000000       0.000000 
1 1 1 -3  0  4  o 472.8112 6.380569 2274.922       61.32257  2274.922       
61.32257  2274.922       61.32257  472.8112 6.380569 472.8112 6.380569 
0.000000       0.000000 
1 1 1 -3  0  5  o 104.2185 4.868013 111.1822       10.26558  111.1822       
10.26558  111.1822       10.26558  104.2185 4.868013 104.2185 4.868013 
0.000000       0.000000 
1 1 1 -3  0  6  o 221.4636 4.742052 499.5229       21.33391  499.5229       
21.33391  499.5229       21.33391  221.4636 4.742052 221.4636 4.742052 
0.000000       0.000000 
1 1 1 -3  0  7  o 212.9184 4.890573 461.8711       21.14982  461.8711       
21.14982  461.8711       21.14982  212.9184 4.890573 212.9184 4.890573 
0.000000       0.000000 
1 1 1 -3  0  8  o 162.0092 7.448710 268.8313       24.42171  268.8313       
24.42171  268.8313       24.42171  162.0092 7.448710 162.0092 7.448710 
0.000000       0.000000 
1 1 1 -3  0  9  o 117.1040 6.346501 140.7419       15.01181  140.7419       
15.01181  140.7419       15.01181  117.1040 6.346501 117.1040 6.346501 
0.000000       0.000000 
1 1 1 -3  0  10 o 235.9977 5.449927 567.3969       26.12321  567.3969       
26.12321  567.3969       26.12321  235.9977 5.449927 235.9977 5.449927 
0.000000       0.000000 
1 1 1 -3  0  11 o 712.1602 9.098312 5163.573       131.7135  5163.573       
131.7135  5163.573       131.7135  712.1602 9.098312 712.1602 9.098312 
0.000000       0.000000 
1 1 1 -3  0  12 o 112.6694 8.440836 131.3248       19.08985  131.3248       
19.08985  131.3248       19.08985  112.6694 8.440836 112.6694 8.440836 
0.000000       0.000000 
1 1 1 -3  0  13 o 563.7797 11.15931 3240.750       127.8245  3240.750       
127.8245  3240.750       127.8245  563.7797 11.15931 563.7797 11.15931 
0.000000       0.000000 
1 1 1 -3  0  14 o 129.6857 8.718547 173.5397       22.75406  173.5397       
22.75406  173.5397       22.75406  129.6857 8.718547 129.6857 8.718547 
0.000000       0.000000 
1 1 1 -3  0  15 o 165.4130 7.606630 280.3872       25.46341  280.3872       
25.46341  280.3872       25.46341  165.4130 7.606630 165.4130 7.606630 
0.000000       0.000000 
1 1 1 -3  0  16 o 24.64425 15.98162 -0.8931167     19.03261  -0.8931167     
19.03261  -0.8931167     19.03261  24.64425 15.98162 24.64425 15.98162 
0.000000       0.000000 
1 1 1 -3  0  17 o 402.8317 6.900403 1655.609       56.48876  1655.609       
56.48876  1655.609       56.48876  402.8317 6.900403 402.8317 6.900403 
0.000000       0.000000 
1 1 1 -3  0  18 o 36.33549 19.55396 19.72712       19.99128  19.72712       
19.99128  19.72712       19.99128  36.33549 19.55396 36.33549 19.55396 
0.000000       0.000000 
1 1 1 -3  0  19 o 139.0329 13.48268 205.0212       37.29621  205.0212       
37.29621  205.0212       37.29621  139.0329 13.48268 139.0329 13.48268 
0.000000       0.000000 
1 1 1 -3  0  20 o 185.0061 11.14538 356.4700       41.58221  356.4700       
41.58221  356.4700       41.58221  185.0061 11.14538 185.0061 11.14538 
0.000000       0.000000 
1 1 1 -3  0  21 o 75.82498 17.68270 68.99506       23.70551  68.99506       
23.70551  68.99506       23.70551  75.82498 17.68270 75.82498 17.68270 
0.000000       0.000000 
1 1 1 -3  0  22 o 24.02461 16.40142 -13.03821      24.98157  -13.03821      
24.98157  -13.03821      24.98157  24.02461 16.40142 24.02461 16.40142 
0.000000       0.000000 
1 1 1 -3  0  23 o 33.38697 20.27830 14.02039       25.64186  14.02039       
25.64186  14.02039       25.64186  33.38697 20.27830 33.38697 20.27830 
0.000000       0.000000 
1 1 1 -3  0  24 o 44.27697 25.91269 37.27920       39.03130  37.27920       
39.03130  37.27920       39.03130  44.27697 25.91269 44.27697 25.91269 
0.000000       0.000000 
1 1 1 -3  0  25 o 68.88295 29.09538 92.82121       41.17480  92.82121       
41.17480  92.82121       41.17480  68.88295 29.09538 68.88295 29.09538 
0.000000       0.000000 
1 1 1 -3  1  1  o 319.7981 3.478706 1040.013       22.62273  1075.745       
32.63908  1006.975       31.38453  325.2205 4.935244 314.6542 4.904906 
10.56631       6.958070 
1 1 1 -3  1  2  o 279.1065 3.265844 792.1716       18.53603  790.9956       
26.20889  793.3484       26.21893  278.8806 4.621456 279.2951 4.616366 
-0.4145203     6.532127 
1 1 1 -3  1  3  o 150.9215 2.867731 231.6171       8.801183  243.3393       
12.56368  220.3214       12.33303  154.6856 3.994069 147.1869 4.120492 
7.498703       5.738557 
1 1 1 -3  1  4  o 314.1976 3.539512 1003.940       22.61506  1022.913       
32.33333  985.7688       31.64289  317.1230 5.013849 311.3124 4.998368 
5.810577       7.079715 
1 1 1 -3  1  5  o 222.3593 3.219953 502.8249       14.55983  517.4695       
20.85017  488.8871       20.34070  225.5523 4.545805 219.2344 4.562531 
6.317963       6.440577 
1 1 1 -3  1  6  o 309.1180 4.225003 972.0118       26.55845  944.6443       
32.05109  1031.976       47.44285  304.6999 5.172720 318.3618 7.328219 
-13.66187      8.969940 
1 1 1 -3  1  7  o 249.1302 3.517404 631.3271       17.81968  688.4177       
26.10651  581.5244       24.38333  260.0985 4.935822 239.0507 5.015933 
21.04782       7.037181 
1 1 1 -3  1  8  o 198.4915 5.058549 400.9381       20.41829  430.4577       
29.14014  372.4658       28.61856  205.5898 6.970094 191.2225 7.359654 
14.36728       10.13640 
1 1 1 -3  1  9  f 206.0554 3.727926 431.8667       15.62078  458.9535       
22.46224  406.4990       21.73780  212.3819 5.200968 199.8729 5.348232 
12.50899       7.460138 
1 1 1 -3  1  10 o 1161.542 9.751838 13744.80       230.3418  13638.43       
323.4266  13854.29       328.1293  1155.923 13.75927 1165.005 13.85052 
-9.081421      19.52317 
1 1 1 -3  1  11 o 464.2973 4.815455 2192.697       45.46581  2210.381       
64.62070  2175.362       63.98081  466.0768 6.818090 462.3707 6.804684 
3.706116       9.632761 
1 1 1 -3  1  12 o 309.7778 4.273637 975.9985       26.92150  1040.036       
39.37160  919.7653       36.89452  319.7318 6.055442 300.6775 6.034058 
19.05423       8.548581 
1 1 1 -3  1  13 o 503.2674 7.425502 2577.989       75.99342  2390.226       
101.5798  2816.647       114.5224  484.3544 10.31318 525.7448 10.71183 
-41.39041      14.86960 
1 1 1 -3  1  14 o 124.3868 6.355304 157.8879       16.02175  132.9451       
22.41960  183.9214       22.90453  113.7909 9.783920 134.1087 8.441804 
-20.31776      12.92243 
1 1 1 -3  1  15 o 126.2208 6.361259 162.6336       16.27523  185.1106       
23.49857  141.9103       22.56323  134.4736 8.638872 117.5672 9.519359 
16.90646       12.85489 
1 1 1 -3  1  16 o 152.1306 5.574931 235.6799       17.24676  250.9371       
24.36169  220.3501       24.41961  156.8720 7.636786 146.7400 8.216521 
10.13202       11.21747 
1 1 1 -3  1  17 o 184.7783 5.085430 347.7307       19.10865  324.8736       
26.70147  371.7255       27.35791  178.4406 7.358514 190.9017 7.047281 
-12.46114      10.18881 
1 1 1 -3  1  18 o 270.3390 4.670168 744.3458       25.67395  726.3832       
35.73529  763.5087       36.91008  266.8340 6.585744 273.5610 6.634975 
-6.727081      9.348525 
1 1 1 -3  1  19 o 47.34301 17.09436 19.80713       21.09301  22.66847       
28.63663  16.41360       31.18623  52.76091 19.76586 51.20740 20.23947 
1.553509       28.29002 
1 1 1 -3  1  20 f 71.86317 15.34011 55.76498       21.73516  58.33638       
29.58161  52.74805       32.04190  72.99924 19.54048 69.85973 20.91746 
3.139511       28.62465 
1 1 1 -3  1  21 o 186.1540 6.037084 353.8715       22.85341  350.0697       
31.84068  357.9109       32.82080  184.7645 8.474466 186.7910 8.640556 
-2.026505      12.10272 
1 1 1 -3  1  22 o 154.8254 6.940322 245.3321       21.85110  225.6160       
30.80766  265.2919       30.99745  147.5435 10.33326 160.2582 9.555048 
-12.71478      14.07392 
1 1 1 -3  1  23 o 69.31364 14.29448 52.33839       19.47913  75.31856       
26.93573  27.14454       28.20327  82.74303 16.58591 53.94965 19.72257 
28.79339       25.76959 
1 1 1 -3  1  24 o 98.06657 15.75448 106.1218       30.35413  135.6871       
44.95722  81.35255       41.14950  108.0310 21.22152 82.33347 23.44739 
25.69751       31.62488 
1 1 1 -3  1  25 o 58.84005 18.95589 40.18451       25.78504  -8.297898      
35.59841  93.69644       37.39933  42.66979 19.27194 87.49128 21.23527 
-44.82149      28.67655 
1 1 1 -3  2  1  o 492.8354 4.591299 2470.253       46.01388  2493.701       
65.57269  2447.505       64.58543  495.1020 6.512938 490.4962 6.475116 
4.605835       9.183980 
1 1 1 -3  2  2  o 388.0204 3.903283 1531.139       30.79896  1558.611       
44.09836  1504.977       43.03376  391.4475 5.539843 384.6545 5.501575 
6.793030       7.807508 
1 1 1 -3  2  3  f 567.6290 5.138609 3277.204       59.31460  3286.806       
84.04923  3267.677       83.71877  568.3597 7.272087 566.7037 7.264660 
1.655945       10.27903 
1 1 1 -3  2  4  o 596.0519 5.366522 3613.919       65.04717  3559.181       
90.73648  3671.792       93.29818  591.3951 7.544887 600.6716 7.638088 
-9.276428      10.73619 
1 1 1 -3  2  5  o 524.5732 4.896993 2799.204       52.23806  2750.552       
72.89415  2850.568       74.89817  519.8765 6.895108 529.2395 6.959332 
-9.363037      9.796674 
1 1 1 -3  2  6  o 86.18520 4.802757 75.80539       8.383887  68.01035       
10.28849  91.21191       14.46422  81.50420 6.255269 94.33718 7.604399 
-12.83298      9.846587 
1 1 1 -3  2  7  o 166.1706 3.483243 280.8720       11.77035  252.2606       
16.17263  313.0951       17.16306  157.4441 5.051298 175.4111 4.811563 
-17.96706      6.976156 
1 1 1 -3  2  8  o 295.9408 5.319390 891.3340       32.01239  958.1424       
46.68321  832.0329       43.98214  306.6896 7.485316 285.7889 7.567974 
20.90073       10.64444 
1 1 1 -3  2  9  f 117.0436 4.414026 139.3607       10.50591  112.7382       
14.57734  168.1338       15.15469  105.0101 6.864231 128.5357 5.797914 
-23.52563      8.985181 
1 1 1 -3  2  10 o 539.4075 5.209957 2960.027       57.14820  2968.856       
80.95934  2951.259       80.68089  540.0617 7.371776 538.4591 7.368287 
1.602600       10.42280 
1 1 1 -3  2  11 o 310.3100 5.865480 979.6185       37.01270  979.6185       
37.01270  0.000000       0.000000  310.3100 5.865480 ?        ?        
0.000000       5.865480 
1 1 1 -3  2  12 o 357.2670 6.235611 1298.611       45.30262  0.000000       
0.000000  1298.611       45.30262  ?        ?        357.2670 6.235611 
0.000000       6.235611 
1 1 1 -3  2  13 o 282.6461 6.302865 812.9110       36.22699  754.6866       
49.69983  878.9167       52.91677  272.2276 8.977828 293.7864 8.857479 
-21.55881      12.61175 
1 1 1 -3  2  14 o 233.0601 4.680637 552.5884       22.18320  497.9168       
30.56442  613.4438       32.24671  221.1617 6.796021 245.4957 6.459369 
-24.33397      9.375998 
1 1 1 -3  2  15 o 128.2786 6.272203 167.5512       16.36160  172.6284       
23.40915  162.7019       22.87760  129.8093 8.922237 125.9974 8.987843 
3.811913       12.66442 
1 1 1 -3  2  16 o 216.8453 4.889420 478.6732       21.56050  465.0845       
30.42588  492.3792       30.55683  213.6113 7.004343 219.8029 6.836339 
-6.191544      9.787560 
1 1 1 -3  2  17 o 23.53317 11.03214 -13.62913      13.30375  -6.261109      
18.98070  -20.74439      18.65229  32.58517 14.43816 27.34177 12.89398 
5.243401       19.35756 
1 1 1 -3  2  18 o 129.8146 6.283164 171.8722       16.58645  168.7955       
23.58029  174.8853       23.33520  128.1138 9.110491 130.4560 8.848543 
-2.342224      12.70031 
1 1 1 -3  2  19 o 122.7998 9.952274 155.6999       24.63881  135.1633       
33.72018  179.2237       36.08943  113.2109 15.01769 130.9563 13.75760 
-17.74544      20.36670 
1 1 1 -3  2  20 o 175.4323 7.930321 315.0294       28.29123  373.8889       
40.61264  259.5393       39.43310  190.3545 10.53268 158.0209 12.37016 
32.33353       16.24679 
1 1 1 -3  2  21 o 126.1781 7.716062 163.6251       19.70330  156.6014       
27.29810  171.2638       28.46805  122.7364 11.05590 128.4075 11.00869 
-5.671104      15.60206 
1 1 1 -3  2  22 o 143.0896 7.325984 210.2493       21.24549  207.8992       
29.15615  212.9098       31.02188  141.6366 10.19098 143.1958 10.73139 
-1.559250      14.79928 
1 1 1 -3  2  23 o 143.9967 7.297767 213.3866       21.29966  194.4361       
30.01161  232.6191       30.23418  136.4179 10.90976 149.5944 9.996289 
-13.17651      14.79692 
1 1 1 -3  2  24 o 97.58351 15.55498 104.9435       29.83086  104.1371       
41.29190  105.8240       43.14339  93.86377 22.01393 94.21530 22.77121 
-0.3515320     31.67240 
1 1 1 -3  2  25 o 89.29191 15.20371 89.82579       26.61738  68.94637       
36.03279  114.9035       39.48957  74.49428 22.15401 97.65056 20.53753 
-23.15628      30.20911 
1 1 1 -3  3  1  o 446.6111 4.279490 2028.539       38.86628  2017.255       
54.69931  2040.044       55.23503  445.3150 6.040365 447.8224 6.065371 
-2.507446      8.560066 
1 1 1 -3  3  2  o 590.8373 5.290220 3550.703       63.56134  3671.942       
92.45579  3442.050       87.52535  600.7260 7.568438 581.6264 7.400113 
19.09955       10.58503 
1 1 1 -3  3  3  o 608.9448 5.434978 3771.832       67.30188  3791.946       
95.58768  3752.059       94.77598  610.4423 7.700268 607.2249 7.675334 
3.217407       10.87221 
1 1 1 -3  3  4  o 328.7121 3.622307 1098.858       24.21321  1070.981       
33.71434  1128.553       34.79660  324.4830 5.109417 333.0896 5.137175 
-8.606628      7.245461 
1 1 1 -3  3  5  f 400.8842 4.100339 1634.574       33.42645  1723.286       
48.99971  1557.357       45.71529  411.5474 5.854936 391.2377 5.746049 
20.30972       8.203497 
1 1 1 -3  3  6  o 427.3492 4.973911 1858.153       43.22474  1824.135       
52.28307  1931.617       76.83334  423.3491 6.073109 435.4143 8.677521 
-12.06519      10.59160 
1 1 1 -3  3  7  o 183.4941 3.459889 342.4872       12.91028  316.2516       
17.93042  370.7311       18.60399  176.2865 5.001728 190.8743 4.792998 
-14.58780      6.927490 
1 1 1 -3  3  8  o 272.4882 5.202684 755.6202       28.82880  742.8376       
40.20949  769.1413       41.35479  270.0557 7.321900 274.7902 7.400706 
-4.734467      10.41060 
1 1 1 -3  3  9  o 537.8666 5.156308 2943.555       56.39815  2876.350       
78.19138  3016.433       81.42490  531.5125 7.234258 544.2888 7.356587 
-12.77625      10.31765 
1 1 1 -3  3  10 o 269.7916 3.913939 740.3079       21.47305  728.7510       
30.02733  752.4036       30.71947  267.6366 5.517213 271.9440 5.554983 
-4.307404      7.829270 
1 1 1 -3  3  11 o 387.6851 4.432254 1528.688       34.94260  1543.652       
49.65139  1514.003       49.18451  389.5156 6.268377 385.7567 6.269941 
3.758942       8.865930 
1 1 1 -3  3  12 o 537.3828 5.337805 2937.581       58.33080  2832.672       
80.02396  3056.511       85.20390  527.5838 7.458940 548.0199 7.645602 
-20.43610      10.68134 
1 1 1 -3  3  13 o 247.9075 6.392752 625.3890       32.22767  586.2725       
44.56721  668.2623       46.65829  239.9288 9.134435 256.1650 8.956898 
-16.23622      12.79312 
1 1 1 -3  3  14 o 343.4268 4.603824 1199.857       32.15172  1173.480       
45.15353  1226.984       45.79200  339.5357 6.539655 347.1931 6.485854 
-7.657379      9.210505 
1 1 1 -3  3  15 o 254.2438 4.633833 657.7543       23.95753  687.7803       
34.33462  629.2640       33.44503  259.8834 6.496842 248.5751 6.616414 
11.30829       9.272858 
1 1 1 -3  3  16 o 250.9117 4.664082 640.8258       23.79789  599.5682       
32.81866  686.5762       34.55938  242.5626 6.653431 259.5758 6.547120 
-17.01324      9.334501 
1 1 1 -3  3  17 o 109.2323 6.998899 122.1989       15.46470  105.4797       
21.90461  138.8140       21.83632  100.8993 10.84597 116.1478 9.323800 
-15.24851      14.30274 
1 1 1 -3  3  18 o 143.1378 5.965416 208.9030       17.36388  216.6337       
24.76739  201.4304       24.35038  145.3222 8.417062 140.0861 8.589361 
5.236084       12.02597 
1 1 1 -3  3  19 o 66.26449 16.22238 47.49973       21.68387  44.61241       
30.32730  50.51959       31.01554  65.16348 20.51152 68.66648 20.58414 
-3.502998      29.05907 
1 1 1 -3  3  20 f 85.23247 13.57401 77.07286       22.73780  85.85449       
31.69182  67.75709       32.64142  88.83892 18.15565 78.45826 20.30293 
10.38066       27.23667 
1 1 1 -3  3  21 o 53.63966 15.17732 30.87800       17.29884  25.01640       
23.48774  37.82697       25.57367  51.38974 18.09491 59.85933 18.83448 
-8.469585      26.11826 
1 1 1 -3  3  22 f 142.9308 7.281116 209.7711       21.09280  197.0676       
29.51789  223.0260       30.15167  137.7582 10.61888 146.7220 10.16838 
-8.963776      14.70227 
1 1 1 -3  3  23 o 213.0606 5.991608 464.5853       25.95960  499.6966       
36.91819  430.2461       36.51004  220.3266 8.239903 204.2707 8.789312 
16.05592       12.04774 
1 1 1 -3  3  24 o 91.27435 16.66952 93.13062       29.80009  123.5807       
43.38672  65.93627       41.00171  102.7464 21.45771 74.57047 23.89091 
28.17595       32.11245 
1 1 1 -3  3  25 o 49.08268 18.96455 22.17561       26.87209  13.18151       
38.13969  31.04179       37.86750  50.27646 21.36808 56.63019 22.32789 
-6.353725      30.90516 
1 1 1 -3  4  1  o 716.7668 6.207223 5226.391       90.47460  5255.162       
128.5914  5198.186       127.3189  718.5494 8.800430 714.6469 8.760924 
3.902588       12.41778 
1 1 1 -3  4  2  o 423.4490 4.131071 1823.573       35.57256  1848.347       
50.79047  1799.721       49.83747  426.2662 5.859357 420.6228 5.826554 
5.643402       8.263219 
1 1 1 -3  4  3  o 264.3402 3.239007 710.5794       17.41111  708.9203       
24.57184  712.2523       24.67454  264.0118 4.576811 264.6313 4.585180 
-0.6195679     6.478509 
1 1 1 -3  4  4  o 582.3345 5.270141 3449.563       62.40886  3413.903       
87.44690  3486.581       89.09509  579.1871 7.424618 585.3154 7.485355 
-6.128296      10.54303 
1 1 1 -3  4  5  o 491.7784 4.680009 2460.145       46.80234  2431.858       
65.61223  2489.448       66.78023  488.8314 6.600461 494.5828 6.639837 
-5.751465      9.362346 
1 1 1 -3  4  6  o 282.9206 4.075601 814.2494       23.44810  798.9460       
28.51105  846.2336       41.21807  280.2155 5.003451 288.2881 7.030877 
-8.072601      8.629470 
1 1 1 -3  4  7  o 491.8874 4.772345 2462.056       47.73632  2545.348       
69.16986  2386.308       65.96295  499.9336 6.803826 484.0748 6.700947 
15.85873       9.549593 
1 1 1 -3  4  8  o 283.7230 5.250726 819.2135       30.29460  872.4471       
43.95752  771.0560       41.80924  292.6689 7.385932 275.1318 7.472743 
17.53702       10.50685 
1 1 1 -3  4  9  o 475.0426 4.753294 2295.820       45.91755  2275.856       
64.49449  2316.342       65.38918  472.8370 6.707485 477.0214 6.740880 
-4.184387      9.509459 
1 1 1 -3  4  10 o 632.7200 5.838494 4073.234       75.12144  3938.215       
103.1080  4225.988       109.6709  621.9447 8.152473 644.2443 8.371235 
-22.29962      11.68505 
1 1 1 -3  4  11 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -3  4  12 o 564.8188 5.497293 3245.301       63.14071  3281.714       
89.88886  3209.836       88.71169  567.8373 7.784497 561.5856 7.768076 
6.251709       10.99734 
1 1 1 -3  4  13 o 254.2715 6.474627 657.9335       33.47834  632.6644       
46.77014  684.4854       47.94266  249.2328 9.228092 259.2456 9.094092 
-10.01273      12.95609 
1 1 1 -3  4  14 o 300.2831 4.557741 917.3239       27.83120  885.7148       
38.96927  950.2307       39.76118  294.9802 6.496478 305.5397 6.399414 
-10.55951      9.119030 
1 1 1 -3  4  15 o 310.7183 4.617582 982.4274       29.17648  969.7638       
40.87565  995.5811       41.65904  308.5877 6.513804 312.6654 6.552062 
-4.077759      9.239002 
1 1 1 -3  4  16 o 115.2797 6.862550 135.9261       16.01477  143.4814       
22.98008  128.7920       22.33050  118.1216 9.651214 111.8312 9.922435 
6.290352       13.84199 
1 1 1 -3  4  17 o 268.9131 4.649691 736.3159       25.42656  805.7892       
37.14219  675.0429       34.88136  281.1230 6.497104 257.2879 6.666879 
23.83505       9.309115 
1 1 1 -3  4  18 o 255.2651 4.744761 663.7135       24.62959  677.2259       
35.17422  650.7153       34.49861  257.6199 6.714191 252.5267 6.718045 
5.093231       9.498025 
1 1 1 -3  4  19 o 145.0572 8.947620 216.3365       26.26474  215.6231       
37.96626  216.9913       36.37285  143.9115 13.11740 144.5247 12.49913 
-0.6132202     18.11889 
1 1 1 -3  4  20 o 122.4585 9.707677 154.9686       23.97631  167.6944       
35.64499  144.4532       32.40182  126.3323 14.11633 117.2135 13.86222 
9.118797       19.78464 
1 1 1 -3  4  21 o 208.4489 5.724226 443.5434       24.26430  475.9822       
34.67846  412.4302       33.96253  215.5505 7.911511 200.5641 8.327131 
14.98637       11.48621 
1 1 1 -3  4  22 o 162.3796 6.640750 269.7454       21.92805  258.6753       
30.66050  281.3365       31.37370  158.2126 9.574961 165.0714 9.385121 
-6.858841      13.40747 
1 1 1 -3  4  23 o 119.9437 8.552876 148.9754       20.72459  157.3809       
29.01530  140.2209       29.61180  122.3199 11.81176 115.0327 12.87981 
7.287216       17.47590 
1 1 1 -3  4  24 o 89.77420 17.49325 91.02161       30.78757  96.86911       
45.28220  85.99471       41.98491  89.14248 24.30931 84.36803 23.56526 
4.774445       33.85653 
1 1 1 -3  4  25 o 67.26264 18.73419 53.90896       26.57445  56.55421       
38.39131  51.47559       36.82169  67.85564 23.17299 65.37469 22.67784 
2.480957       32.42332 
1 1 1 -3  5  1  o 493.9360 4.600286 2481.371       46.20691  2509.097       
65.90919  2454.573       64.79784  496.6132 6.526439 491.1894 6.487242 
5.423737       9.202105 
1 1 1 -3  5  2  o 609.5538 5.426025 3779.420       67.25820  3814.956       
95.85718  3744.961       94.39462  612.2844 7.698746 606.6445 7.651762 
5.639832       10.85450 
1 1 1 -3  5  3  o 873.6468 7.409907 7766.970       131.6437  7761.430       
186.0308  7772.528       186.3142  872.9752 10.47928 873.5979 10.48776 
-0.6227417     14.82594 
1 1 1 -3  5  4  o 287.8717 3.418965 842.7663       20.01451  806.9216       
27.65446  882.1927       29.00327  281.6549 4.828324 294.4984 4.842980 
-12.84344      6.838653 
1 1 1 -3  5  5  o 166.0363 3.167871 280.3662       10.69601  268.2709       
15.05594  292.6909       15.19794  162.3956 4.559132 169.6285 4.405900 
-7.232910      6.340161 
1 1 1 -3  5  6  o 439.1529 5.060824 1962.414       45.19479  1953.615       
55.27105  1980.167       78.51043  438.0816 6.204278 440.7932 8.758727 
-2.711609      10.73352 
1 1 1 -3  5  7  o 216.6272 3.467440 477.3450       15.27473  466.9207       
21.41289  488.1452       21.79564  214.2028 4.915851 219.0180 4.893713 
-4.815140      6.936427 
1 1 1 -3  5  8  o 154.1709 4.488343 241.8265       14.07148  217.2283       
17.03788  294.6056       24.95715  146.0901 5.735132 170.0790 7.215939 
-23.98897      9.217457 
1 1 1 -3  5  9  o 384.2939 4.240566 1502.254       33.13895  1515.741       
47.08253  1489.013       46.65153  385.9283 5.999316 382.5107 5.997509 
3.417694       8.483037 
1 1 1 -3  5  10 o 835.6648 7.287892 7107.812       123.8470  7100.440       
174.8403  7115.235       175.4535  834.8002 10.29930 835.6652 10.32472 
-0.8649902     14.58339 
1 1 1 -3  5  11 o 508.0193 5.117056 2625.227       52.86300  2622.488       
74.88746  2627.946       74.63232  507.6452 7.254332 508.1751 7.222077 
-0.5299683     10.23639 
1 1 1 -3  5  12 o 143.1085 5.102202 208.3245       14.84822  209.7176       
20.93072  206.9132       21.06707  143.5559 7.169877 142.4041 7.299489 
1.151840       10.23180 
1 1 1 -3  5  13 o 342.9103 6.475687 1196.618       45.15625  1166.929       
63.50613  1226.980       64.22102  338.4799 9.226380 347.0883 9.098837 
-8.608368      12.95820 
1 1 1 -3  5  14 o 175.1469 5.277782 312.1444       18.79772  329.9304       
26.97693  295.3582       26.20774  180.0028 7.369904 170.3042 7.567506 
9.698654       10.56327 
1 1 1 -3  5  15 o 558.2285 5.615407 3172.261       63.74479  3171.292       
89.93018  3173.240       90.36893  557.8094 7.928082 557.9747 7.964403 
-0.1652222     11.23771 
1 1 1 -3  5  16 o 185.8159 5.099134 351.5432       19.26773  372.3905       
27.52154  331.5025       26.98380  191.1254 7.081133 180.3088 7.359270 
10.81662       10.21280 
1 1 1 -3  5  17 o 267.0847 4.680542 726.3680       25.42122  684.9187       
35.03640  772.4468       36.94127  259.1590 6.648165 275.2265 6.600398 
-16.06754      9.368210 
1 1 1 -3  5  18 o 205.3785 5.030460 429.7495       21.00942  470.4875       
30.58625  393.3587       28.90832  214.6875 7.005967 196.2765 7.242742 
18.41095       10.07675 
1 1 1 -3  5  19 o 77.84351 12.01082 63.84476       18.40107  61.06268       
32.18268  65.19604       22.42900  74.80865 20.53242 78.08379 14.66378 
-3.275131      25.23106 
1 1 1 -3  5  20 o 130.7540 9.094975 176.2351       24.03236  171.9138       
33.86541  180.6190       34.10968  128.1767 13.18039 131.4835 12.92419 
-3.306824      18.45962 
1 1 1 -3  5  21 o 122.4917 7.803428 154.2987       19.33643  150.4141       
27.20718  158.2634       27.48665  120.1997 11.26216 123.3682 11.07433 
-3.168549      15.79484 
1 1 1 -3  5  22 f 170.5242 9.213530 300.0585       31.83090  300.0585       
31.83090  0.000000       0.000000  170.5242 9.213530 ?        ?        
0.000000       9.213530 
1 1 1 -3  5  23 o 93.74848 10.06460 92.04410       18.88694  64.74328       
25.83831  123.3680       27.67668  76.36407 17.06806 107.7887 12.88189 
-31.42467      21.38368 
1 1 1 -3  5  24 o 138.4573 12.40599 204.4983       34.55961  308.1941       
54.18564  133.3899       44.87085  167.6742 16.08911 106.6801 21.42775 
60.99406       26.79567 
1 1 1 -3  5  25 o 57.93510 19.58231 38.72071       27.41276  64.31085       
38.45069  12.26948       39.09226  71.54517 23.15831 50.27452 21.50640 
21.27065       31.60431 
1 1 1 -3  6  1  o 332.7491 3.559276 1125.998       24.08408  1154.917       
34.60611  1098.836       33.53901  336.9625 5.050329 328.6802 5.017938 
8.282288       7.119377 
1 1 1 -3  6  2  o 466.5981 4.422076 2214.292       41.95856  2195.264       
58.93064  2233.856       59.75467  464.5214 6.238556 468.5852 6.270928 
-4.063812      8.845571 
1 1 1 -3  6  3  o 228.6528 3.089669 531.6696       14.36613  540.7738       
20.47811  522.8468       20.15920  230.5844 4.367255 226.7301 4.372327 
3.854294       6.179818 
1 1 1 -3  6  4  o 490.9458 4.646086 2451.695       46.38443  2343.994       
63.26481  2576.888       68.20882  479.9482 6.482110 503.2155 6.665537 
-23.26727      9.297695 
1 1 1 -3  6  5  o 430.5875 4.283712 1885.989       37.50879  1933.252       
54.06471  1842.129       52.08173  435.8490 6.099952 425.4583 6.019730 
10.39069       8.570097 
1 1 1 -3  6  6  o 122.2450 4.135279 152.0266       10.27986  140.6498       
12.55430  175.1756       17.90812  117.5624 5.251370 130.9901 6.745854 
-13.42773      8.548885 
1 1 1 -3  6  7  o 297.2722 3.722613 898.9690       22.50368  893.7382       
31.97537  904.1025       31.67674  296.3305 5.306252 298.0482 5.226400 
-1.717712      7.447924 
1 1 1 -3  6  8  o 713.4163 7.318449 5183.546       106.1729  5209.424       
130.5911  5133.089       182.3528  714.8951 8.982965 708.7698 12.65190 
6.125244       15.51658 
1 1 1 -3  6  9  o 369.5128 4.177786 1388.885       31.39259  1423.727       
44.97947  1355.794       43.83432  374.0388 5.913522 365.0066 5.905575 
9.032288       8.357366 
1 1 1 -3  6  10 o 852.4273 7.421053 7395.955       128.6395  7447.053       
182.9529  7345.990       180.9118  854.9115 10.52366 849.0986 10.47749 
5.812927       14.85009 
1 1 1 -3  6  11 o 611.5029 5.768281 3804.112       71.72926  3731.706       
99.86341  3881.279       103.0947  605.4957 8.110431 617.5029 8.210055 
-12.00726      11.54054 
1 1 1 -3  6  12 o 249.0926 4.279853 631.0706       21.67909  662.2746       
30.98496  601.1465       30.34286  255.1391 5.972037 243.0753 6.138529 
12.06387       8.564273 
1 1 1 -3  6  13 o 122.6645 9.034946 154.0803       22.37834  161.9870       
32.32399  146.8022       31.01226  125.3503 12.86314 119.2470 12.99954 
6.103310       18.28794 
1 1 1 -3  6  14 o 506.6175 6.100828 2612.380       62.85220  2491.169       
104.8908  2680.283       78.50758  494.2271 10.43661 513.0196 7.525342 
-18.79248      12.86676 
1 1 1 -3  6  15 o 163.7381 5.367792 272.9063       17.87297  283.0972       
25.59300  263.2048       24.97087  166.6747 7.550925 160.7079 7.640912 
5.966812       10.74244 
1 1 1 -3  6  16 o 257.9079 4.610404 677.0898       24.17993  739.9473       
35.08076  620.1992       33.37419  269.4710 6.401851 246.6829 6.653042 
22.78809       9.232912 
1 1 1 -3  6  17 o 116.7691 6.803857 139.5441       16.08603  154.6522       
22.60448  124.0431       22.89648  122.6469 9.128675 109.5656 10.40114 
13.08133       13.83894 
1 1 1 -3  6  18 o 333.9779 4.834410 1136.284       32.83316  1109.183       
45.24260  1166.437       47.72282  329.6729 6.748588 338.0378 6.942396 
-8.364929      9.681958 
1 1 1 -3  6  19 o 65.39248 14.22672 45.97395       18.38034  49.62316       
31.33551  44.05983       22.69454  68.14467 20.74934 63.83720 17.12689 
4.307472       26.90475 
1 1 1 -3  6  20 o 47.32469 17.20514 19.71869       21.42028  31.22538       
30.07391  7.870700       30.51666  57.52694 20.45167 47.06757 19.49581 
10.45937       28.25522 
1 1 1 -3  6  21 o 244.8573 5.421512 611.8135       26.99510  622.0505       
38.06004  601.4498       38.29472  246.4696 7.593717 242.3135 7.771591 
4.156128       10.86564 
1 1 1 -3  6  22 o 161.9058 6.631138 268.2215       21.83243  282.4342       
30.64737  253.5773       31.10924  165.4271 9.145864 156.5412 9.822351 
8.885864       13.42108 
1 1 1 -3  6  23 o 58.32608 15.24389 37.44186       18.28191  34.88409       
26.72746  39.69078       25.06189  57.61314 19.33666 60.23151 18.59532 
-2.618366      26.82708 
1 1 1 -3  6  24 o 167.2002 10.09999 293.3100       34.17952  350.4453       
50.81049  246.0874       46.19303  180.3530 13.96292 150.0854 15.35121 
30.26764       20.75145 
1 1 1 -3  6  25 f 61.34940 19.10565 44.65256       26.39147  20.78634       
36.99358  69.38870       37.66175  52.21925 21.53306 74.09514 22.78215 
-21.87589      31.34803 
1 1 1 -3  7  1  o 953.2504 8.011540 9248.922       155.3011  9375.582       
222.4575  9128.506       216.9055  959.2393 11.40430 946.5391 11.26887 
12.70020       16.03264 
1 1 1 -3  7  2  o 563.9722 5.101523 3235.360       58.50716  3302.664       
84.13001  3172.323       81.41977  569.6831 7.262166 558.3346 7.171070 
11.34851       10.20604 
1 1 1 -3  7  3  o 566.5431 5.136332 3265.038       59.17488  3235.366       
83.03315  3295.662       84.35435  563.8341 7.241838 569.0604 7.289500 
-5.226257      10.27526 
1 1 1 -3  7  4  o 689.4633 6.050011 4837.025       84.82401  4841.079       
120.0258  4832.979       119.8928  689.4863 8.560468 688.9095 8.558144 
0.5767822      12.10469 
1 1 1 -3  7  5  o 302.6142 3.567791 931.4261       21.95533  922.0281       
30.96807  940.9236       31.13163  301.0316 5.058836 304.1016 5.034215 
-3.069946      7.136887 
1 1 1 -3  7  6  o 248.6450 3.436002 628.8584       17.37339  674.6594       
25.31095  588.0557       23.88995  257.4906 4.833878 240.3945 4.886966 
17.09605       6.873777 
1 1 1 -3  7  7  o 88.47779 5.317091 79.96349       9.522244  97.39639       
17.63665  72.79085       11.31283  97.31786 9.014301 84.28269 6.654702 
13.03516       11.20458 
1 1 1 -3  7  8  o 340.4440 4.600833 1179.208       31.85177  1167.211       
38.82068  1203.920       55.71721  338.6537 5.637103 343.7731 7.970140 
-5.119446      9.762176 
1 1 1 -3  7  9  o 686.0248 6.173221 4789.559       86.11981  4699.273       
119.8092  4886.078       123.8762  679.2279 8.674079 692.5792 8.795629 
-13.35126      12.35325 
1 1 1 -3  7  10 o 68.93138 7.492147 48.93316       10.33295  65.42828       
14.71326  32.88012       14.51477  79.61919 9.260390 55.66700 13.04921 
23.95219       16.00115 
1 1 1 -3  7  11 o 455.0317 4.816300 2106.052       44.56631  2102.923       
63.07903  2109.172       62.97365  454.6068 6.823351 455.2828 6.801836 
-0.6760559     9.634475 
1 1 1 -3  7  12 o 702.3815 6.415795 5019.704       91.63786  5094.884       
131.1716  4948.031       128.0750  707.3638 9.118962 697.1041 9.034729 
10.25970       12.83674 
1 1 1 -3  7  13 o 878.1426 10.92566 7861.050       195.1032  7981.612       
280.0094  7747.285       272.0000  883.6655 15.58236 870.6616 15.36272 
13.00391       21.88203 
1 1 1 -3  7  14 o 246.8627 5.382188 620.1531       27.01878  625.2528       
46.16814  617.4968       33.32071  247.6771 9.166533 246.2785 6.653286 
1.398560       11.32659 
1 1 1 -3  7  15 o 204.6908 4.944849 426.4341       20.58273  411.5675       
28.90663  441.7230       29.31440  200.9863 7.072606 208.2282 6.922934 
-7.241852      9.896908 
1 1 1 -3  7  16 o 291.7600 4.614450 866.5297       27.37771  865.8207       
38.93384  867.2233       38.50557  291.4649 6.568853 291.7090 6.491158 
-0.2441101     9.234986 
1 1 1 -3  7  17 o 171.4105 5.419581 299.3568       18.89098  284.2760       
26.45752  315.0413       26.98197  166.8539 7.797607 175.6738 7.552927 
-8.819855      10.85585 
1 1 1 -3  7  18 o 322.7561 4.745672 1061.171       31.14753  1068.683       
43.98838  1053.618       44.11040  323.5980 6.684680 321.2972 6.751226 
2.300842       9.500737 
1 1 1 -3  7  19 o 110.9796 8.696401 126.9087       19.46906  142.3212       
33.44279  119.0074       23.94500  116.2960 14.45287 106.9785 11.17175 
9.317520       18.26728 
1 1 1 -3  7  20 f 156.0231 8.663003 250.3665       27.37772  267.9790       
39.49709  234.0783       37.98315  160.5611 12.18782 149.8933 12.57740 
10.66777       17.51382 
1 1 1 -3  7  21 o 121.3577 8.035279 151.6002       19.71766  149.8691       
27.60941  153.4021       28.16897  119.9059 11.46276 121.2980 11.55987 
-1.392113      16.27960 
1 1 1 -3  7  22 o 83.67278 11.13498 73.68194       18.47591  49.11457       
25.79597  99.55975       26.47502  66.76991 18.40582 96.69884 13.86004 
-29.92894      23.04073 
1 1 1 -3  7  23 o 134.1123 11.20047 188.5978       30.26659  0.000000       
0.000000  188.5978       30.26659  ?        ?        134.1123 11.20047 
0.000000       11.20047 
1 1 1 -3  7  24 o 101.4470 14.54437 112.7829       29.14598  108.9752       
42.67691  116.1113       39.90032  95.31374 22.39768 99.74119 20.36100 
-4.427452      30.26923 
1 1 1 -3  7  25 o 98.59724 13.77064 107.8890       26.85670  122.9357       
39.39700  94.82648       36.70766  101.1214 19.86749 87.78372 20.86937 
13.33765       28.81402 
1 1 1 -3  8  1  o 875.0640 7.411213 7793.467       131.8805  7738.041       
185.2411  7850.434       187.7996  871.5209 10.45221 877.8160 10.52058 
-6.295105      14.83008 
1 1 1 -3  8  2  o 196.7392 4.137097 393.6748       16.55152  393.6748       
16.55152  0.000000       0.000000  196.7392 4.137097 ?        ?        
0.000000       4.137097 
1 1 1 -3  8  3  o 136.4863 2.936304 189.4410       8.149695  185.0693       
11.43408  193.9553       11.61897  134.8904 4.168394 138.0911 4.137617 
-3.200760      5.873277 
1 1 1 -3  8  4  o 524.6584 4.874929 2800.393       52.01113  2773.879       
73.03166  2827.681       74.08944  522.0231 6.879708 527.0585 6.912673 
-5.035400      9.752714 
1 1 1 -3  8  5  o 575.9637 6.070272 3376.646       71.09756  3452.182       
88.79258  3241.688       118.6848  582.2033 7.499815 563.7501 10.35278 
18.45319       12.78387 
1 1 1 -3  8  6  o 313.8435 3.698121 1001.976       23.60183  1006.604       
33.40630  997.3637       33.34983  314.4919 5.223572 313.0442 5.238857 
1.447693       7.398062 
1 1 1 -3  8  7  o 386.8963 4.816260 1523.243       37.89273  1487.490       
65.29662  1541.397       46.52893  382.0065 8.405596 389.1163 5.880202 
-7.109802      10.25821 
1 1 1 -3  8  8  o 144.3684 4.544779 212.0461       13.34247  216.1537       
16.36592  203.9052       23.04018  145.7389 5.522221 141.2493 8.054736 
4.489594       9.765945 
1 1 1 -3  8  9  o 672.3041 6.078243 4599.651       83.09889  4677.798       
119.2052  4525.773       115.9035  677.6938 8.649885 666.6038 8.550220 
11.08997       12.16251 
1 1 1 -3  8  10 o 265.8763 3.986882 718.9641       21.55581  694.7484       
30.10583  744.4377       30.87787  261.3215 5.665315 270.5067 5.613296 
-9.185120      7.975267 
1 1 1 -3  8  11 o 473.0357 4.908851 2276.049       47.21991  2245.139       
66.09269  2308.277       67.48721  469.7208 6.919301 476.2771 6.968036 
-6.556274      9.819891 
1 1 1 -3  8  12 o 705.7984 6.447153 5068.808       92.53373  5061.712       
130.6636  5075.948       131.0622  705.0424 9.113557 706.0315 9.128556 
-0.9890747     12.89913 
1 1 1 -3  8  13 o 370.4059 5.425849 1395.941       40.86929  1297.222       
67.91470  1451.985       51.17190  356.8336 9.359370 377.7043 6.662361 
-20.87076      11.48847 
1 1 1 -3  8  14 o 591.2617 6.680317 3559.346       80.32084  3658.215       
142.5965  3513.399       97.20891  598.5756 11.71489 587.2401 8.140273 
11.33557       14.26544 
1 1 1 -3  8  15 o 278.4085 4.628687 788.8278       26.20546  792.4930       
37.23857  785.2319       36.88420  278.9261 6.565267 277.6479 6.532729 
1.278259       9.261710 
1 1 1 -3  8  16 o 141.7917 5.882818 204.8242       16.96242  199.9992       
24.33809  209.3816       23.65353  139.6926 8.609601 142.9991 8.168016 
-3.306534      11.86768 
1 1 1 -3  8  17 o 313.9193 4.656834 1003.540       29.72762  1060.038       
43.13799  952.4443       41.02405  322.3847 6.580123 305.5829 6.601733 
16.80176       9.320992 
1 1 1 -3  8  18 o 172.5212 5.422212 303.3846       19.02263  258.7811       
25.64949  357.9059       28.35809  159.1092 7.927420 187.1754 7.450353 
-28.06613      10.87896 
1 1 1 -3  8  19 o 58.37292 13.45179 36.64130       15.63973  6.895708       
22.62392  63.86695       21.64441  41.31592 16.91487 77.31046 14.29403 
-35.99454      22.14571 
1 1 1 -3  8  20 o 106.8338 11.47115 119.0946       24.53092  68.44572       
33.16697  180.2622       36.44869  78.71286 20.51307 131.0150 13.89271 
-52.30217      24.77485 
1 1 1 -3  8  21 o 187.0126 6.129315 357.3004       23.30957  341.5969       
32.71991  373.4828       33.21508  182.3926 8.821723 190.7696 8.561990 
-8.376968      12.29351 
1 1 1 -3  8  22 o 227.2713 5.739820 527.7970       26.52738  560.7677       
38.71146  498.6081       36.42374  233.6762 8.146549 220.3495 8.128699 
13.32668       11.50835 
1 1 1 -3  8  23 o 34.53327 14.85931 -0.1441495     18.85945  1.550994       
26.77173  -1.814091      26.57197  41.41047 17.75822 40.02020 17.42742 
1.390270       24.88110 
1 1 1 -3  8  24 o 51.97482 19.35114 26.14638       27.36432  20.58389       
38.34739  31.91767       39.06045  53.89812 22.03883 58.47276 22.78826 
-4.574631      31.70197 
1 1 1 -3  8  25 o 82.13271 17.05474 78.83770       27.55308  68.13889       
38.21970  90.41486       39.75765  73.02952 23.03131 84.15847 22.70675 
-11.12895      32.34250 
1 1 1 -3  9  1  o 549.3650 5.784476 3070.752       64.62141  3040.859       
78.24291  3134.899       114.6164  546.5933 7.039297 554.6721 10.16153 
-8.078857      12.36157 
1 1 1 -3  9  2  o 364.8858 3.770204 1354.140       27.97520  1346.711       
39.42276  1361.676       39.70456  363.8298 5.328405 365.8455 5.336927 
-2.015625      7.541532 
1 1 1 -3  9  3  o 64.76225 3.656044 42.79373       4.795191  62.13943       
7.045527  26.09933       6.544955  78.03101 4.458621 50.21399 6.566925 
27.81701       7.937493 
1 1 1 -3  9  4  o 322.5649 3.615799 1058.296       23.71771  1102.544       
34.39941  1018.200       32.74550  329.1807 5.138841 316.3412 5.090312 
12.83945       7.233185 
1 1 1 -3  9  5  o 457.4426 5.143046 2129.445       47.84191  2123.653       
58.62668  2140.992       82.77277  456.7211 6.312376 458.2926 8.881641 
-1.571503      10.89631 
1 1 1 -3  9  6  o 275.0067 3.540479 769.3214       19.79962  759.2428       
27.77213  779.7391       28.23538  273.1370 5.000085 276.7983 5.016246 
-3.661346      7.082624 
1 1 1 -3  9  7  o 324.5404 5.438188 1072.022       35.89008  0.000000       
0.000000  1072.022       35.89008  ?        ?        324.5404 5.438188 
0.000000       5.438188 
1 1 1 -3  9  8  o 593.8183 6.362454 3589.444       76.82980  3635.794       
95.05531  3502.108       130.4810  597.4645 7.823712 585.8903 10.95165 
11.57422       13.45916 
1 1 1 -3  9  9  o 189.9844 3.845380 367.1156       14.85623  336.8527       
20.62948  399.7182       21.41214  181.9518 5.575456 198.2109 5.312282 
-16.25905      7.701042 
1 1 1 -3  9  10 o 188.8446 4.100421 362.7119       15.74651  386.1866       
22.39454  339.7565       22.14542  194.8333 5.652329 182.7404 5.959338 
12.09291       8.213558 
1 1 1 -3  9  11 o 698.0989 6.350333 4958.463       90.14983  5114.268       
130.7609  4817.323       124.4549  708.7342 9.072837 687.8694 8.897228 
20.86481       12.70736 
1 1 1 -3  9  12 o 136.8040 5.413552 190.3952       15.06027  196.6892       
21.02953  183.7686       21.57793  138.8114 7.477518 134.1254 7.946709 
4.686020       10.91162 
1 1 1 -3  9  13 o 747.4743 7.854285 5689.158       119.3863  5536.324       
202.0221  5771.175       147.9927  736.3187 13.49217 752.5597 9.670479 
-16.24103      16.59990 
1 1 1 -3  9  14 o 226.6004 5.504667 522.5931       25.36549  474.2450       
42.25765  549.8254       31.71453  215.6486 9.636231 232.3748 6.711472 
-16.72621      11.74312 
1 1 1 -3  9  15 f 150.9174 5.626592 231.9057       17.26777  240.9058       
24.35326  222.8059       24.48791  153.5189 7.826868 147.5851 8.191582 
5.933884       11.32969 
1 1 1 -3  9  16 o 184.6333 5.114532 347.1477       19.20292  355.5302       
27.41516  339.0736       26.90606  186.7057 7.220744 182.3306 7.256700 
4.375076       10.23713 
1 1 1 -3  9  17 o 150.8501 5.640814 231.9185       17.30369  233.5194       
24.75147  230.3882       24.20006  150.9686 8.091829 149.9679 7.963910 
1.000732       11.35348 
1 1 1 -3  9  18 o 324.3710 4.778939 1071.942       31.52281  1052.980       
44.37668  1091.255       44.78611  321.1628 6.794822 326.9590 6.735948 
-5.796112      9.567790 
1 1 1 -3  9  19 o 157.0084 6.028105 251.5796       19.24665  258.9002       
27.73692  244.7816       26.72882  158.7406 8.624861 154.3533 8.548903 
4.387299       12.14380 
1 1 1 -3  9  20 o 126.1852 9.878911 164.7208       25.14708  181.4224       
38.12055  151.8533       33.46015  131.2165 14.53019 120.0871 13.96252 
11.12942       20.15138 
1 1 1 -3  9  21 o 207.3552 5.675632 438.9966       23.93209  417.6977       
33.18393  462.0818       34.54740  201.8310 8.085156 212.3018 8.002217 
-10.47073      11.37564 
1 1 1 -3  9  22 o 124.4529 8.141244 159.7620       20.49024  168.7531       
29.78124  151.6798       28.23566  126.9931 11.66248 120.3382 11.68567 
6.654976       16.50965 
1 1 1 -3  9  23 o 55.81768 15.98095 34.27555       19.06321  33.99153       
26.97526  34.55891       26.94367  56.97535 19.42459 57.29493 19.41381 
-0.3195801     27.46290 
1 1 1 -3  9  24 o 56.44197 19.16347 35.02404       26.25382  24.88095       
38.38084  43.94345       35.99128  55.36120 22.26184 62.81887 22.36911 
-7.457676      31.55894 
1 1 1 -3  9  25 f 50.14487 18.75974 25.82854       25.77799  -4.301028      
36.22339  56.74321       36.69230  43.63745 19.59879 67.25266 22.65594 
-23.61520      29.95671 
1 1 1 -3  10 1  o 1014.921 9.832493 10497.70       202.9304  10447.33       
247.2532  10601.66       355.2065  1011.904 12.01576 1017.519 17.16670 
-5.615479      20.95410 
1 1 1 -3  10 2  o 489.1838 4.588531 2434.368       45.64541  2494.332       
65.77562  2378.665       63.39490  495.0428 6.533874 483.4350 6.448591 
11.60782       9.180187 
1 1 1 -3  10 3  o 777.7153 6.695122 6157.026       105.8841  6121.509       
148.8974  6193.362       150.6026  775.0197 9.447628 779.5448 9.500355 
-4.525085      13.39830 
1 1 1 -3  10 4  o 182.8392 3.100099 340.0061       11.52647  326.2435       
16.11391  354.4265       16.49454  179.0735 4.425051 186.6500 4.345709 
-7.576538      6.202117 
1 1 1 -3  10 5  o 287.8315 4.037369 842.8430       23.63133  860.9377       
29.44073  810.0688       39.62217  290.8615 4.977496 282.0243 6.908762 
8.837219       8.515073 
1 1 1 -3  10 6  o 68.67850 5.050251 48.26299       7.003706  57.07426       
10.01834  39.84035       9.794911  74.56277 6.678016 62.01972 7.949350 
12.54305       10.38210 
1 1 1 -3  10 7  o 474.0066 6.615544 2287.817       63.76778  0.000000       
0.000000  2287.817       63.76778  ?        ?        474.0066 6.615544 
0.000000       6.615544 
1 1 1 -3  10 8  o 133.0054 4.692162 179.9780       12.69093  174.5321       
15.37841  191.6053       22.47070  130.9575 5.774704 136.9143 8.106902 
-5.956863      9.953344 
1 1 1 -3  10 9  o 378.1775 4.243547 1454.733       32.63444  1508.481       
47.20817  1405.539       45.16381  385.0235 6.029460 371.6566 5.975817 
13.36694       8.489099 
1 1 1 -3  10 10 o 485.7523 4.912744 2400.144       48.52778  2373.532       
67.95264  2427.842       69.32523  482.9502 6.919148 488.4406 6.979562 
-5.490448      9.827965 
1 1 1 -3  10 11 o 445.0978 4.741272 2015.107       42.91427  2018.725       
60.59536  2011.466       60.78498  445.4130 6.689984 444.6098 6.723042 
0.8031921      9.484470 
1 1 1 -3  10 12 o 523.8513 5.273094 2791.725       56.17266  2683.843       
77.02767  2914.266       82.09446  513.4969 7.376621 535.0734 7.544824 
-21.57642      10.55173 
1 1 1 -3  10 13 o 235.3874 5.291740 563.7557       25.32989  528.7769       
43.11947  582.1862       31.29962  227.8018 9.308182 239.1642 6.435637 
-11.36241      11.31635 
1 1 1 -3  10 14 o 528.0740 6.271297 2839.147       67.34472  2766.023       
113.4066  2878.980       83.70093  520.5668 10.71298 531.5805 7.743010 
-11.01367      13.21825 
1 1 1 -3  10 15 o 140.3074 5.969750 200.4962       17.03288  218.2654       
24.29174  183.3104       23.88956  146.0555 8.212121 133.7383 8.833931 
12.31714       12.06140 
1 1 1 -3  10 16 o 425.0236 4.979476 1839.548       43.03760  1838.229       
60.79022  1840.873       60.93877  424.5473 7.041355 424.8502 7.053529 
-0.3029480     9.966592 
1 1 1 -3  10 17 o 130.1615 6.187795 172.7657       16.37834  193.9945       
23.85581  153.8373       22.52626  137.4794 8.575837 122.2814 9.124654 
15.19798       12.52215 
1 1 1 -3  10 18 o 279.3462 4.873145 795.1188       27.68239  875.0361       
41.40656  730.5306       37.22419  292.7258 6.955955 267.4837 6.843472 
25.24207       9.757993 
1 1 1 -3  10 19 o 109.0014 7.517325 122.0881       16.56090  122.2628       
23.43793  121.9140       23.40340  108.4856 10.76638 108.3293 10.76647 
0.1563568      15.22603 
1 1 1 -3  10 20 o 162.7719 8.488684 272.4461       28.00039  258.4552       
39.62186  286.4041       39.57526  157.5003 12.47294 166.0500 11.79692 
-8.549713      17.16804 
1 1 1 -3  10 21 o 93.88171 9.783048 91.69402       18.40263  106.5068       
26.66527  78.22267       25.42920  100.3386 13.40361 85.23668 15.22972 
15.10188       20.28795 
1 1 1 -3  10 22 o 131.0563 7.634491 176.8525       20.25836  155.0308       
28.71786  198.4682       28.58192  121.6087 11.75957 138.1922 10.24377 
-16.58344      15.59559 
1 1 1 -3  10 23 o 72.24509 13.29615 56.65993       18.81398  60.56145       
27.03835  52.99782       26.19563  73.19923 18.23265 68.49127 18.41120 
4.707962       25.91142 
1 1 1 -3  10 24 o 85.37905 16.37290 82.51339       27.39253  69.75027       
38.53825  95.54581       38.94269  75.52377 23.01406 88.93332 21.72047 
-13.40955      31.64531 
1 1 1 -3  11 1  o 628.3193 11.26847 4028.302       143.9783  4028.302       
143.9783  0.000000       0.000000  628.3193 11.26847 ?        ?        
0.000000       11.26847 
1 1 1 -3  11 2  o 638.1589 5.656301 4144.467       73.40282  3992.345       
100.3515  4319.509       107.6465  626.0732 7.882198 651.1848 8.129134 
-25.11157      11.32307 
1 1 1 -3  11 3  o 388.7371 3.963572 1537.233       31.33243  1626.859       
46.03868  1459.904       42.76382  399.8101 5.662624 378.7469 5.552339 
21.06317       7.930560 
1 1 1 -3  11 4  o 23.68843 8.123048 5.204762       4.717723  11.04966       
6.856604  -0.5008096E-01 6.501302  32.68204 9.650624 20.72385 8.815371 
11.95819       13.07078 
1 1 1 -3  11 5  o 416.4634 4.857653 1765.057       41.13910  1772.608       
50.73520  1750.560       70.29427  417.2585 5.979332 414.3934 8.341721 
2.865112       10.26337 
1 1 1 -3  11 6  o 374.0405 4.029339 1423.380       30.64812  1412.319       
43.13448  1434.659       43.55455  372.4721 5.694812 375.4055 5.705339 
-2.933472      8.061128 
1 1 1 -3  11 7  o 319.1481 5.419046 1036.599       35.16953  0.000000       
0.000000  1036.599       35.16953  ?        ?        319.1481 5.419046 
0.000000       5.419046 
1 1 1 -3  11 8  o 392.0782 4.913214 1564.007       39.17327  1586.803       
48.38022  1520.610       66.75180  394.8630 6.025180 386.3599 8.496098 
8.503082       10.41568 
1 1 1 -3  11 9  o 260.8242 3.836310 691.9114       20.34759  654.0624       
28.10932  733.5758       29.49213  253.5504 5.451734 268.5219 5.401011 
-14.97151      7.674134 
1 1 1 -3  11 10 o 360.1557 4.257341 1319.290       31.18029  1359.131       
44.70932  1281.563       43.50646  365.4956 6.015399 354.9121 6.028115 
10.58353       8.516055 
1 1 1 -3  11 11 o 369.9698 4.383868 1392.193       32.98186  1430.583       
47.29613  1355.852       46.01697  374.9732 6.202602 365.0481 6.198925 
9.925079       8.769205 
1 1 1 -3  11 12 o 539.3173 5.378247 2959.154       58.98431  2971.727       
83.62359  2946.705       83.21076  540.3011 7.610996 538.0222 7.605502 
2.278992       10.75969 
1 1 1 -3  11 13 o 331.5721 5.367399 1118.684       36.19039  1173.012       
65.10231  1094.387       43.53735  339.2586 9.436570 327.8918 6.529502 
11.36679       11.47533 
1 1 1 -3  11 14 o 450.1210 5.774952 2062.532       52.86023  2049.066       
90.61816  2069.477       65.07993  448.1220 9.944146 450.7401 7.100182 
-2.618073      12.21878 
1 1 1 -3  11 15 o 469.7497 7.280640 2249.526       69.54846  0.000000       
0.000000  2249.526       69.54846  ?        ?        469.7497 7.280640 
0.000000       7.280640 
1 1 1 -3  11 16 o 332.1224 4.692425 1123.139       31.69180  1097.405       
44.18900  1150.394       45.47670  328.0650 6.623733 335.8872 6.658004 
-7.822205      9.391637 
1 1 1 -3  11 17 o 174.8966 5.255049 311.6980       18.69001  315.3165       
26.48753  308.1098       26.37616  175.7190 7.412611 173.6937 7.467513 
2.025284       10.52191 
1 1 1 -3  11 18 o 298.8054 4.753739 909.7162       28.88519  935.3231       
41.40061  885.4282       40.32046  302.6652 6.726558 294.4805 6.733138 
8.184662       9.517444 
1 1 1 -3  11 19 o 182.3637 5.652264 339.3091       20.96101  307.1835       
29.26565  373.1484       30.03607  173.1702 8.310622 190.9547 7.735018 
-17.78448      11.35328 
1 1 1 -3  11 20 o 88.63777 13.60872 83.45712       23.74548  131.7213       
33.18573  32.82193       33.99110  111.3561 15.03978 59.62431 21.67396 
51.73177       26.38097 
1 1 1 -3  11 21 o 194.4580 6.016338 386.3724       23.79082  362.0485       
33.37733  411.4935       33.91985  187.7269 8.743267 200.2307 8.330514 
-12.50383      12.07651 
1 1 1 -3  11 22 o 171.5976 6.452348 301.4715       22.51544  236.2780       
31.43709  370.1320       32.26221  150.7759 10.31515 189.6930 8.363564 
-38.91707      13.27974 
1 1 1 -3  11 23 o 89.09541 10.96177 84.05255       19.44146  99.69351       
28.00102  69.49451       27.01428  95.67943 14.87456 78.66351 17.35333 
17.01591       22.85587 
1 1 1 -3  11 24 o 78.15067 15.00422 68.52914       22.97810  68.39478       
29.13808  68.75011       37.36792  76.23454 18.89166 74.88206 22.62710 
1.352478       29.47678 
1 1 1 -3  12 1  o 515.8896 6.844917 2710.168       71.80859  2652.298       
99.87627  2772.094       103.3164  509.9720 9.630848 521.3430 9.745284 
-11.37094      13.70123 
1 1 1 -3  12 2  o 264.1714 3.790524 709.8991       20.36275  695.8036       
24.33932  742.7781       37.17296  261.5077 4.576912 270.0815 6.768321 
-8.573792      8.170574 
1 1 1 -3  12 3  o 281.0580 3.369274 803.4933       19.25678  857.0841       
28.15781  756.4058       26.39408  290.2230 4.771068 272.6455 4.760546 
17.57755       6.739873 
1 1 1 -3  12 4  o 505.0666 5.479716 2596.573       56.28053  2548.609       
68.11330  2699.788       99.91883  500.2433 6.695748 514.4262 9.551527 
-14.18286      11.66468 
1 1 1 -3  12 5  o 298.6467 3.590134 907.3034       21.80317  875.4588       
30.21491  941.9001       31.49352  293.2867 5.066143 304.2110 5.090903 
-10.92426      7.182137 
1 1 1 -3  12 6  o 260.8544 3.530462 692.1684       18.72756  663.4843       
26.01048  723.0444       26.98598  255.3345 5.009421 266.5502 4.978606 
-11.21571      7.062635 
1 1 1 -3  12 7  o 527.1238 7.104429 2829.528       76.15408  0.000000       
0.000000  2829.528       76.15408  ?        ?        527.1238 7.104429 
0.000000       7.104429 
1 1 1 -3  12 8  o 99.54239 5.639960 101.1507       11.36964  102.2046       
13.91649  99.03522       19.71669  99.96392 6.888006 98.06252 10.02844 
1.901405       12.16611 
1 1 1 -3  12 9  o 625.7310 5.772216 3983.699       73.44829  4084.669       
106.0935  3890.766       101.7836  633.3923 8.236915 618.1898 8.096639 
15.20245       11.54999 
1 1 1 -3  12 10 o 228.5895 3.987247 531.4406       18.53450  510.4364       
25.73340  554.0824       26.71778  223.9953 5.649460 233.3759 5.629798 
-9.380661      7.975652 
1 1 1 -3  12 11 o 206.9659 4.251318 435.6730       17.89261  448.3023       
25.01327  422.4390       25.60506  209.9135 5.859745 203.7614 6.179490 
6.152130       8.516026 
1 1 1 -3  12 12 o 812.5428 10.20164 6728.150       168.5651  6728.150       
168.5651  0.000000       0.000000  812.5428 10.20164 ?        ?        
0.000000       10.20164 
1 1 1 -3  12 13 o 240.3718 5.299572 587.9374       25.90453  672.6691       
47.10190  551.1960       31.01649  256.9181 9.015552 232.6914 6.554822 
24.22668       11.14656 
1 1 1 -3  12 14 o 143.0493 6.752673 208.4264       19.64323  219.7161       
34.33969  202.9356       23.94831  146.1634 11.65007 140.8364 8.400195 
5.327011       14.36271 
1 1 1 -3  12 15 o 81.45615 12.84883 69.66208       20.57781  69.66208       
20.57781  0.000000       0.000000  81.45615 12.84883 ?        ?        
0.000000       12.84883 
1 1 1 -3  12 16 o 436.4893 5.013503 1940.462       44.50064  1940.515       
62.97578  1940.409       62.89114  436.1238 7.100883 436.1138 7.091501 
0.9979248E-02  10.03553 
1 1 1 -3  12 17 o 272.9493 4.675402 758.8671       25.95090  714.9055       
35.68558  808.2093       37.80642  264.6853 6.629968 281.4318 6.606037 
-16.74643      9.359284 
1 1 1 -3  12 18 o 186.9525 5.311504 356.3321       20.19297  367.7759       
28.70070  345.1144       28.41578  189.6852 7.440594 183.7266 7.605648 
5.958618       10.63994 
1 1 1 -3  12 19 o 157.3900 5.978990 252.8752       19.13623  242.8488       
26.96499  263.0484       27.16151  153.6644 8.664654 160.0049 8.376876 
-6.340485      12.05190 
1 1 1 -3  12 20 o 96.97070 12.63674 99.07495       24.32667  104.7555       
36.13081  94.36437       32.90168  97.86108 18.83950 93.01166 18.04622 
4.849426       26.08817 
1 1 1 -3  12 21 o 112.1681 8.669975 130.0195       19.62246  109.9111       
27.44116  151.0605       28.07024  101.8344 13.59042 120.2272 11.62648 
-18.39283      17.88503 
1 1 1 -3  12 22 o 214.0342 5.793199 468.5032       25.21465  424.1341       
35.66519  512.8410       35.65262  202.9275 8.642754 223.3929 7.848212 
-20.46533      11.67440 
1 1 1 -3  12 23 o 75.36755 12.80586 61.47568       18.92433  74.81841       
26.83091  48.26708       26.69570  81.83289 16.68900 65.24523 18.97903 
16.58765       25.27304 
1 1 1 -3  12 24 o 98.62430 10.34249 103.5679       20.43377  107.4908       
28.38602  99.34874       29.43811  98.38467 14.63375 93.76584 16.01379 
4.618828       21.69305 
1 1 1 -3  13 1  o 138.6063 4.569391 195.4872       12.87932  214.0233       
18.82637  179.1805       17.65794  144.9763 6.385841 132.6464 6.546258 
12.32990       9.145079 
1 1 1 -3  13 2  o 165.6461 3.435810 279.1072       11.57343  266.7713       
13.60847  311.3501       22.00089  161.9286 4.132704 174.8682 6.186969 
-12.93961      7.440284 
1 1 1 -3  13 3  o 102.5061 3.221240 106.8787       6.714666  119.1717       
9.665640  95.41249       9.334937  108.2226 4.391990 96.82954 4.740805 
11.39303       6.462569 
1 1 1 -3  13 4  o 307.6914 4.105425 963.2503       25.68768  925.2486       
30.97048  1047.028       45.98432  301.5098 5.051206 320.5865 7.053638 
-19.07672      8.675742 
1 1 1 -3  13 5  o 252.8920 3.419394 650.5599       17.58473  671.4554       
25.32385  631.1024       24.43697  256.8628 4.848162 249.0258 4.825603 
7.837006       6.840404 
1 1 1 -3  13 6  o 253.6790 3.511618 654.5942       18.11520  673.4067       
26.01943  636.8975       25.23605  257.2443 4.973941 250.1743 4.960519 
7.069946       7.024731 
1 1 1 -3  13 7  o 435.4092 6.286382 1929.794       55.66085  0.000000       
0.000000  1929.794       55.66085  ?        ?        435.4092 6.286382 
0.000000       6.286382 
1 1 1 -3  13 8  o 212.1904 4.279524 457.9964       18.46599  487.8184       
23.18181  406.2199       30.54537  218.9669 5.206159 199.7461 7.519965 
19.22087       9.146254 
1 1 1 -3  13 9  o 402.1114 4.389984 1644.661       35.89721  1601.613       
49.85254  1691.015       51.73228  396.7415 6.179143 407.6611 6.240378 
-10.91965      8.782035 
1 1 1 -3  13 10 o 395.2674 4.420530 1589.109       35.53177  1592.698       
50.20158  1585.506       50.29758  395.6457 6.239640 394.7502 6.265755 
0.8955383      8.842669 
1 1 1 -3  13 11 o 502.4333 5.075155 2567.966       51.85363  2593.836       
73.86985  2542.836       72.80595  504.8339 7.195605 499.8484 7.162706 
4.985504       10.15289 
1 1 1 -3  13 12 o 538.5616 5.378757 2951.094       58.90725  2975.198       
83.72644  2927.466       82.89464  540.5748 7.616500 536.2222 7.602041 
4.352539       10.76114 
1 1 1 -3  13 13 o 350.8611 5.300176 1252.734       37.81612  1211.473       
64.21945  1274.636       46.78843  344.7456 9.160442 353.8396 6.502505 
-9.093964      11.23371 
1 1 1 -3  13 14 o 362.6968 5.428694 1339.172       40.03967  1432.403       
71.21685  1296.081       48.41636  374.6633 9.347385 356.7032 6.674731 
17.96017       11.48589 
1 1 1 -3  13 15 o 286.2857 6.531796 835.3130       38.02627  0.000000       
0.000000  835.3130       38.02627  ?        ?        286.2857 6.531796 
0.000000       6.531796 
1 1 1 -3  13 16 f 192.7574 5.032616 378.4622       19.72678  384.8206       
28.31933  372.4688       27.49471  194.1907 7.171387 191.0578 7.076735 
3.132874       10.07517 
1 1 1 -3  13 17 o 135.9537 6.092370 188.5296       16.84336  195.6897       
24.00473  181.5857       23.63969  138.0337 8.594490 132.9137 8.795953 
5.120010       12.29772 
1 1 1 -3  13 18 o 199.0560 5.224721 403.9677       21.14900  437.1106       
29.94588  370.9868       29.87265  206.8214 7.120169 190.4542 7.713151 
16.36722       10.49712 
1 1 1 -3  13 19 o 218.8530 5.253758 488.5517       23.38158  497.4461       
34.03670  480.6038       32.17490  220.4547 7.592359 216.7448 7.299903 
3.709915       10.53245 
1 1 1 -3  13 20 o 91.94624 13.65659 89.80338       24.75876  57.70830       
34.74109  122.9278       35.29380  72.50781 21.79660 106.8647 16.79501 
-34.35686      27.51661 
1 1 1 -3  13 21 o 79.95146 11.43069 67.47857       18.05548  78.17728       
26.86458  58.66449       24.38389  84.82024 16.16520 73.11667 16.75818 
11.70358       23.28412 
1 1 1 -3  13 22 o 103.2014 9.423427 110.9071       19.55817  104.9905       
28.58593  116.1143       26.81754  98.75357 14.68140 104.5824 12.88215 
-5.828796      19.53185 
1 1 1 -3  13 23 o 109.4137 13.70859 129.1455       29.83160  129.1455       
29.83160  0.000000       0.000000  109.4137 13.70859 ?        ?        
0.000000       13.70859 
1 1 1 -3  13 24 o 84.25408 11.74947 77.03246       19.58294  107.4815       
28.20510  48.69279       27.21060  98.26368 14.55529 64.07771 19.29642 
34.18597       24.17041 
1 1 1 -3  14 1  o 415.8639 8.446710 1763.413       71.43157  1763.413       
71.43157  0.000000       0.000000  415.8639 8.446710 ?        ?        
0.000000       8.446710 
1 1 1 -3  14 2  o 542.7526 5.778872 2999.167       63.78175  2964.315       
76.96839  3075.559       113.9508  539.4205 7.016711 548.8511 10.20966 
-9.430603      12.38836 
1 1 1 -3  14 3  o 102.9460 3.619243 107.8122       7.576672  108.2594       
9.664281  107.0989       12.20514  103.1424 4.607663 102.3919 5.886503 
0.7505722      7.475391 
1 1 1 -3  14 4  o 158.2569 3.600302 254.7832       11.58652  277.7784       
14.85114  219.0159       18.52188  165.2227 4.420167 146.6540 6.210687 
18.56870       7.623025 
1 1 1 -3  14 5  o 282.1939 3.539364 810.0588       20.31067  782.1165       
28.27013  839.8688       29.19966  277.2199 5.014781 287.2736 4.998397 
-10.05368      7.080396 
1 1 1 -3  14 6  o 351.3731 3.952180 1255.967       28.23948  1268.183       
40.39917  1244.295       39.48967  352.9860 5.628123 349.6504 5.553900 
3.335632       7.907059 
1 1 1 -3  14 7  o 422.8385 6.195827 1819.797       53.27522  0.000000       
0.000000  1819.797       53.27522  ?        ?        422.8385 6.195827 
0.000000       6.195827 
1 1 1 -3  14 8  o 516.5172 5.785221 2714.681       60.76537  2762.696       
75.38371  2625.602       102.6780  520.9642 7.115709 507.5975 9.947330 
13.36670       12.23040 
1 1 1 -3  14 9  o 213.0343 3.874356 461.5769       16.78419  459.2042       
23.70313  463.9630       23.76987  212.4556 5.486383 213.5540 5.473532 
-1.098312      7.749835 
1 1 1 -3  14 10 o 641.7462 5.917796 4190.083       77.22798  4095.745       
107.0947  4292.289       111.4704  634.2864 8.302927 649.3133 8.442163 
-15.02692      11.84098 
1 1 1 -3  14 11 o 705.1740 6.402001 5060.217       91.80438  5084.890       
130.4046  5035.975       129.2649  706.5994 9.075451 703.1971 9.039660 
3.402344       12.80934 
1 1 1 -3  14 12 o 467.9738 5.009760 2228.102       47.67491  2207.641       
66.80401  2249.338       68.05849  465.6776 7.054492 470.0494 7.120121 
-4.371796      10.02307 
1 1 1 -3  14 13 o 507.2993 6.079326 2619.814       62.71495  2728.329       
111.7376  2569.907       75.77628  517.0629 10.62685 502.2970 7.418589 
14.76593       12.96015 
1 1 1 -3  14 14 o 243.7620 5.429406 604.9514       26.91347  651.1605       
46.43433  581.5748       33.02675  252.6087 9.039398 238.9174 6.797774 
13.69127       11.31019 
1 1 1 -3  14 15 o 318.7556 4.631805 1034.401       30.02338  979.4811       
41.49090  1094.766       43.49921  309.9779 6.582195 327.7197 6.527208 
-17.74179      9.269830 
1 1 1 -3  14 16 o 97.93417 7.692582 98.54579       15.19669  89.68278       
20.83318  108.6246       22.21614  92.81672 11.26879 102.3551 10.83842 
-9.538368      15.63512 
1 1 1 -3  14 17 o 279.4254 4.699122 795.4375       26.70140  807.3632       
37.93700  783.7299       37.58839  281.2386 6.633407 277.0857 6.670958 
4.152954       9.407643 
1 1 1 -3  14 18 o 191.3924 5.410314 373.5772       21.05710  365.3523       
29.50170  382.1191       30.06476  188.9857 7.676558 193.2777 7.649350 
-4.291977      10.83707 
1 1 1 -3  14 19 o 184.0024 5.743255 345.6081       21.48984  334.3293       
30.05987  357.3983       30.73377  180.6085 8.184599 186.7523 8.092796 
-6.143738      11.51004 
1 1 1 -3  14 20 o 223.6345 7.443153 512.2877       33.84910  488.1021       
48.46316  535.3242       47.29782  217.0760 11.01473 227.8685 10.20717 
-10.79256      15.01701 
1 1 1 -3  14 21 o 26.33692 12.46971 -20.31577      17.76625  -11.43440      
25.76165  -28.37074      24.53384  36.44459 16.43343 30.72793 14.57899 
5.716658       21.96826 
1 1 1 -3  14 22 o 34.27061 14.72410 -0.6301021E-01 18.46706  6.101686       
26.63157  -5.772711      25.62994  43.18682 18.07701 37.99006 16.80801 
5.196766       24.68375 
1 1 1 -3  14 23 o 162.5904 6.896261 272.1997       22.80132  286.4352       
33.14353  259.4084       31.41752  165.4212 9.898175 157.4123 9.864641 
8.008896       13.97444 
1 1 1 -3  14 24 o 154.6363 7.074965 247.8268       22.24781  244.8529       
31.51338  250.7818       31.41317  151.8212 10.26766 153.7601 10.10277 
-1.938828      14.40455 
1 1 1 -3  15 1  o 430.3194 8.636166 1888.554       75.57242  1888.554       
75.57242  0.000000       0.000000  430.3194 8.636166 ?        ?        
0.000000       8.636166 
1 1 1 -3  15 2  o 210.2399 4.299770 449.7592       18.38281  449.7592       
18.38281  0.000000       0.000000  210.2399 4.299770 ?        ?        
0.000000       4.299770 
1 1 1 -3  15 3  o 103.3673 6.135976 109.1870       12.84010  0.000000       
0.000000  109.1870       12.84010  ?        ?        103.3673 6.135976 
0.000000       6.135976 
1 1 1 -3  15 4  o 243.8643 3.329753 604.9280       16.51246  645.7872       
23.98995  568.1425       22.76264  251.9129 4.683036 236.2817 4.737411 
15.63123       6.661373 
1 1 1 -3  15 5  o 157.1479 3.380605 251.1946       10.80325  259.1020       
15.38318  243.4997       15.17514  159.5716 4.740664 154.6904 4.824118 
4.881180       6.763579 
1 1 1 -3  15 6  o 339.9851 4.456252 1175.990       30.80925  1194.167       
53.39327  1166.917       37.72285  342.3998 7.668344 338.6188 5.478252 
3.781006       9.424158 
1 1 1 -3  15 7  o 424.2398 4.400179 1830.878       37.96061  1840.447       
54.07627  1821.581       53.30093  425.2397 6.253478 423.0585 6.195594 
2.181152       8.802917 
1 1 1 -3  15 8  o 720.7825 7.405458 5288.571       108.5444  5277.115       
132.6561  5311.778       188.8129  719.7919 9.062938 721.5102 12.86879 
-1.718323      15.73984 
1 1 1 -3  15 9  o 135.4236 4.474146 186.5403       12.32128  219.0229       
17.88786  157.2155       16.99616  146.7195 5.995411 124.1104 6.759763 
22.60915       9.035450 
1 1 1 -3  15 10 o 446.9223 4.708182 2031.726       42.78945  2069.282       
61.26978  1995.969       59.78440  450.9394 6.681541 442.8816 6.638177 
8.057800       9.418513 
1 1 1 -3  15 11 o 212.4419 6.081192 459.2463       26.27123  459.2463       
26.27123  0.000000       0.000000  212.4419 6.081192 ?        ?        
0.000000       6.081192 
1 1 1 -3  15 12 o 282.2041 5.093943 810.3080       29.23269  807.0216       
35.52345  817.2020       51.45076  281.5839 6.203773 283.1977 8.934099 
-1.613739      10.87681 
1 1 1 -3  15 13 o 300.8922 5.221703 921.4276       31.95027  906.7305       
55.11913  928.8649       39.20954  298.1917 9.089820 302.0322 6.383914 
-3.840424      11.10762 
1 1 1 -3  15 14 o 410.2546 5.644687 1713.927       47.09174  1685.495       
79.70849  1729.172       58.36720  406.2417 9.648696 411.9103 6.968107 
-5.668579      11.90176 
1 1 1 -3  15 15 o 449.3324 5.060438 2056.167       46.23888  2100.317       
66.58728  2015.052       64.25819  453.7525 7.216404 444.4682 7.109456 
9.284302       10.13019 
1 1 1 -3  15 16 o 203.2819 4.986127 420.9858       20.61168  444.1458       
29.49057  398.8676       28.81966  208.6066 6.951902 197.6639 7.169851 
10.94273       9.986776 
1 1 1 -3  15 17 o 320.6377 4.768423 1047.531       31.09144  1037.223       
43.55025  1058.246       44.40199  318.7255 6.719274 321.9267 6.782567 
-3.201172      9.547348 
1 1 1 -3  15 18 o 142.6677 6.316369 207.8417       18.32502  216.2523       
25.37376  198.6724       26.49348  145.0041 8.644323 138.8079 9.441962 
6.196136       12.80137 
1 1 1 -3  15 19 o 122.6858 7.357871 154.6156       18.27207  143.2691       
25.12509  167.3533       26.62096  117.4183 10.63804 127.0342 10.39615 
-9.615952      14.87440 
1 1 1 -3  15 20 o 153.8174 7.646466 242.5110       23.91761  228.8710       
29.88544  266.8122       39.89016  148.7004 9.940436 159.8609 12.36698 
-11.16058      15.86677 
1 1 1 -3  15 21 o 103.0120 9.529114 110.3214       19.73528  81.07509       
27.87954  139.6955       27.94036  86.18547 16.50853 115.3102 12.09565 
-29.12474      20.46549 
1 1 1 -3  15 22 o 69.08994 13.76972 51.99656       18.66693  56.51741       
27.07726  47.90190       25.76932  70.83108 18.57107 65.41531 18.52935 
5.415764       26.23397 
1 1 1 -3  15 23 o 166.7869 6.898835 286.6656       23.39856  260.2779       
33.12770  312.9353       33.05354  157.2775 10.41691 173.0263 9.429660 
-15.74873      14.05100 
1 1 1 -3  15 24 o 73.72655 13.17376 60.57086       19.02601  103.4988       
27.00627  18.26942       26.80849  96.22848 14.23014 46.93264 18.69690 
49.29583       23.49619 
1 1 1 -3  16 1  o 158.9025 6.653242 257.1924       21.49886  257.1924       
21.49886  0.000000       0.000000  158.9025 6.653242 ?        ?        
0.000000       6.653242 
1 1 1 -3  16 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -3  16 3  o 125.9712 3.583931 161.4279       9.180837  160.0574       
11.55230  163.7774       15.12551  125.4167 4.529617 126.8319 5.864487 
-1.415192      7.410104 
1 1 1 -3  16 4  f 30.20068 8.533773 9.537549       5.472832  11.23578       
7.713036  7.815581       7.766749  33.28020 10.32279 29.58022 10.40642 
3.699984       14.65789 
1 1 1 -3  16 5  o 204.6382 3.930696 426.0043       16.35715  430.2493       
19.94771  417.2913       28.57836  205.6308 4.770385 202.4266 6.942537 
3.204193       8.423502 
1 1 1 -3  16 6  o 92.44456 6.258846 87.38759       11.69663  75.26672       
15.77001  102.2092       17.43863  85.44142 9.222618 99.77956 8.680979 
-14.33813      12.66555 
1 1 1 -3  16 7  o 238.3611 4.224024 577.9371       20.47449  603.2956       
25.48333  531.7570       34.38914  243.5088 5.146241 228.5373 7.399678 
14.97148       9.013269 
1 1 1 -3  16 8  o 159.6234 4.629190 259.1820       15.02633  273.6323       
18.69462  232.8054       25.25736  163.9961 5.605726 150.9862 8.257488 
13.00983       9.980494 
1 1 1 -3  16 9  o 887.3885 8.849847 8018.417       159.6985  8106.753       
197.6436  7852.268       271.0592  891.9244 10.89690 876.8890 15.20086 
15.03546       18.70317 
1 1 1 -3  16 10 o 657.4449 6.058464 4397.965       80.99782  4276.097       
111.3822  4534.746       118.0005  648.0520 8.451901 667.3364 8.695363 
-19.28442      12.12617 
1 1 1 -3  16 11 o 606.9164 5.765466 3748.119       71.15653  3852.912       
102.8517  3651.912       98.54736  615.0978 8.222724 598.8534 8.092319 
16.24445       11.53685 
1 1 1 -3  16 12 o 157.6200 6.178687 252.8874       19.80428  261.2851       
23.92298  234.5993       35.30352  160.1790 7.344433 151.1655 11.57245 
9.013458       13.70628 
1 1 1 -3  16 13 o 166.7973 6.116312 283.2874       20.74579  329.5007       
37.67109  263.1709       24.85426  179.3495 10.37325 160.7027 7.605476 
18.64688       12.86264 
1 1 1 -3  16 14 f 228.8506 5.465964 533.3356       25.43725  549.7346       
32.06124  505.4756       41.78904  232.2444 6.788653 222.4727 9.237071 
9.771759       11.46339 
1 1 1 -3  16 15 o 107.2285 7.177839 117.8347       15.56110  111.6456       
21.92788  124.1135       22.08642  103.8792 10.52579 109.6659 10.01430 
-5.786751      14.52854 
1 1 1 -3  16 16 o 35.96709 13.70330 9.385919       13.89873  -22.22947      
19.53018  41.82785       19.78382  27.78031 13.12921 62.31104 15.63797 
-34.53073      20.41868 
1 1 1 -3  16 17 o 167.9383 5.527176 287.6128       18.87577  275.6508       
26.12644  300.6745       27.30102  164.1650 7.826150 171.4541 7.830319 
-7.289108      11.07080 
1 1 1 -3  16 18 o 43.62978 14.55675 18.82437       15.14640  10.08356       
20.68980  28.91858       22.23394  41.41834 16.44881 53.41230 17.62796 
-11.99396      24.11034 
1 1 1 -3  16 19 o 140.2445 6.769551 201.1720       19.30622  217.1215       
27.03112  184.5640       27.58349  145.0512 9.211906 133.4479 10.24265 
11.60333       13.77574 
1 1 1 -3  16 20 o 74.31760 13.91728 59.43644       20.25985  77.43513       
25.78748  30.41160       32.74714  84.60749 15.56160 57.75132 21.23082 
26.85617       26.32321 
1 1 1 -3  16 21 o 114.6479 8.753448 136.0865       20.25359  108.2653       
28.83187  163.1901       28.45758  100.5344 14.52395 124.8961 11.32788 
-24.36169      18.41917 
1 1 1 -3  16 22 o 123.6188 8.326943 158.3692       20.81060  156.8970       
30.29693  159.6844       28.63464  121.6549 12.42088 123.0655 11.57817 
-1.410599      16.98035 
1 1 1 -3  16 23 o 99.02383 9.943152 103.6225       19.75193  108.8206       
28.81496  99.01508       27.12818  99.38604 14.70101 94.80648 14.53478 
4.579559       20.67315 
1 1 1 -3  16 24 o 117.6212 10.17741 147.8723       24.10314  131.8690       
29.51159  179.9351       41.77225  108.9823 13.61327 124.8813 16.88168 
-15.89899      21.68668 
1 1 1 -3  17 1  o 241.0047 4.830737 591.0881       23.67502  613.9421       
33.96299  569.4855       33.01998  245.5142 6.802646 236.4542 6.867179 
9.059998       9.666134 
1 1 1 -3  17 2  o 276.5521 3.957714 778.0891       22.25732  740.2101       
25.80854  888.0222       43.96719  269.7040 4.705705 295.2344 7.323360 
-25.53040      8.704899 
1 1 1 -3  17 3  f 421.7337 4.211491 1809.569       36.11816  1881.566       
52.55196  1745.116       49.72295  429.8994 6.011333 414.0273 5.905769 
15.87201       8.426994 
1 1 1 -3  17 4  o 194.6768 3.263928 385.4839       12.92130  407.2932       
18.66640  365.4189       17.90437  200.0730 4.587972 189.5075 4.646022 
10.56546       6.529549 
1 1 1 -3  17 5  o 374.1882 4.016898 1424.338       30.56556  1455.840       
43.93378  1394.787       42.55179  378.2095 5.712349 370.1978 5.652395 
8.011627       8.036200 
1 1 1 -3  17 6  f 520.8740 9.892601 2765.775       104.7839  2765.775       
104.7839  0.000000       0.000000  520.8740 9.892601 ?        ?        
0.000000       9.892601 
1 1 1 -3  17 7  o 216.7654 3.664476 477.8970       16.15301  487.7273       
23.31439  468.8222       22.40060  218.9486 5.236373 214.6659 5.131510 
4.282669       7.331575 
1 1 1 -3  17 8  o 829.8282 8.340069 7011.346       140.7373  7023.360       
172.6811  6987.579       242.8839  830.2484 10.22788 827.2745 14.43769 
2.973938       17.69340 
1 1 1 -3  17 9  o 391.2975 4.382102 1557.385       34.86912  1555.347       
49.41135  1559.408       49.21400  390.9684 6.214894 391.4799 6.181983 
-0.5115051     8.765947 
1 1 1 -3  17 10 o 222.1908 4.168478 502.1469       18.83454  482.5855       
26.37552  522.5006       26.90448  217.7791 5.955708 226.6098 5.838408 
-8.830719      8.340112 
1 1 1 -3  17 11 f 150.2469 5.144534 229.6792       15.71821  220.5977       
22.03791  239.0823       22.42494  147.0095 7.395420 153.2429 7.196139 
-6.233429      10.31875 
1 1 1 -3  17 12 o 294.6405 5.179209 883.4401       31.03183  883.7509       
37.66073  882.7828       54.76717  294.6328 6.285736 294.2644 9.152321 
0.3684692      11.10295 
1 1 1 -3  17 13 o 36.47706 14.64890 6.366738       16.59513  11.34154       
28.04208  3.685405       20.58721  47.52605 19.05775 38.49498 15.98453 
9.031067       24.87375 
1 1 1 -3  17 14 f 212.8842 5.499388 461.5861       23.80725  424.4745       
28.92088  539.5970       41.93095  204.0410 6.970158 229.8449 8.971154 
-25.80391      11.36067 
1 1 1 -3  17 15 o 41.48109 14.68011 15.51244       15.47807  7.108241       
19.34300  30.47294       25.80767  39.04125 15.76706 55.94609 18.99992 
-16.90483      24.69003 
1 1 1 -3  17 16 o 79.36204 10.62804 65.78915       16.72134  62.22215       
20.70222  72.48369       28.36126  76.46747 13.82214 81.84815 17.56545 
-5.380684      22.35165 
1 1 1 -3  17 17 o 155.6844 6.494976 247.4993       20.56241  266.8683       
25.46032  211.1688       34.86955  161.5148 7.751755 142.5524 12.14453 
18.96240       14.40762 
1 1 1 -3  17 18 o 153.6102 7.037814 241.3191       21.98413  232.9583       
26.77125  258.6318       38.52381  150.4319 8.789635 157.6915 12.10589 
-7.259644      14.96029 
1 1 1 -3  17 19 o 158.1246 7.139997 255.9759       22.95878  228.2286       
28.09964  311.6966       39.81971  148.6650 9.342316 173.2303 11.36680 
-24.56525      14.71336 
1 1 1 -3  17 20 o 61.95152 15.53260 41.94565       19.53163  61.67093       
25.30083  12.85241       30.72693  74.90748 16.99906 48.86235 19.82356 
26.04512       26.11401 
1 1 1 -3  17 21 o 148.3896 8.509245 227.4139       25.56985  267.8979       
32.58514  162.5343       41.25074  160.6295 10.02578 122.4005 17.03463 
38.22903       19.76600 
1 1 1 -3  17 22 o 86.74677 16.73599 83.68121       28.45301  83.68121       
28.45301  0.000000       0.000000  86.74677 16.73599 ?        ?        
0.000000       16.73599 
1 1 1 -3  17 23 o 138.0779 8.991981 199.7403       25.11050  175.2390       
30.72905  248.9821       43.56339  127.8500 11.95833 150.9356 14.36648 
-23.08557      18.69218 
1 1 1 -3  17 24 o 109.6774 10.39800 129.2963       22.91385  95.82107       
27.85793  199.3147       40.28964  91.28998 15.56455 132.5938 15.21803 
-41.30380      21.76795 
1 1 1 -3  18 1  o 359.4310 5.562375 1315.000       40.65623  1343.745       
58.37014  1287.913       56.66114  363.1367 7.904405 355.5191 7.837380 
7.617554       11.13122 
1 1 1 -3  18 2  o 501.7239 4.714006 2561.469       48.09571  2525.580       
54.59063  2685.947       101.6673  498.1371 5.389119 513.1170 9.743463 
-14.97992      11.13453 
1 1 1 -3  18 3  o 275.0426 3.416390 769.4708       19.10816  797.3208       
27.56824  743.7200       26.50891  279.9203 4.843098 270.3486 4.821880 
9.571747       6.834188 
1 1 1 -3  18 4  o 600.2719 5.450547 3667.071       66.53337  3669.047       
94.14137  3665.099       94.04350  600.1553 7.713747 599.8329 7.709870 
0.3223877      10.90614 
1 1 1 -3  18 5  o 36.23203 9.662403 13.84865       7.249817  28.95605       
12.06631  5.313873       9.069345  52.24410 11.65393 28.53303 11.01942 
23.71108       16.03876 
1 1 1 -3  18 6  o 968.4926 8.226715 9553.146       162.0221  9809.716       
235.2509  9321.631       223.4703  980.5391 11.79818 955.9180 11.49603 
24.62109       16.47288 
1 1 1 -3  18 7  o 556.4185 5.248370 3149.803       59.38509  3176.595       
84.72971  3123.934       83.25609  558.6102 7.458910 553.9667 7.390621 
4.643494       10.50032 
1 1 1 -3  18 8  o 495.9753 5.684208 2502.762       57.32993  2567.413       
71.59640  2387.235       95.70698  502.2567 7.009935 484.0948 9.722137 
18.16196       11.98579 
1 1 1 -3  18 9  o 338.6906 4.164285 1166.752       28.68105  1204.756       
41.48534  1131.955       39.69606  344.1011 5.928667 333.5454 5.852494 
10.55573       8.330713 
1 1 1 -3  18 10 o 254.6166 4.133574 659.4202       21.40247  668.2761       
30.46529  650.7904       30.07384  256.2712 5.845935 252.8963 5.847835 
3.374985       8.268744 
1 1 1 -3  18 11 o 453.4738 4.875731 2092.233       44.96176  2107.833       
63.94933  2076.982       63.22787  455.0110 6.911347 451.6713 6.883902 
3.339722       9.754733 
1 1 1 -3  18 12 o 339.9674 5.242419 1176.293       36.24269  1169.691       
44.19282  1189.853       63.33757  338.9311 6.411932 341.5877 9.118170 
-2.656677      11.14692 
1 1 1 -3  18 13 o 480.8033 5.938546 2354.366       58.06294  2376.664       
101.3561  2343.474       70.83848  482.2678 10.33499 479.4933 7.264993 
2.774475       12.63298 
1 1 1 -3  18 14 f 72.91684 11.28315 55.73507       16.19021  37.66996       
20.01163  89.96381       27.54594  59.41801 16.14243 92.24377 15.21541 
-32.82577      22.18303 
1 1 1 -3  18 15 o 93.53536 7.812526 89.99088       14.72397  81.80604       
20.78635  98.23346       20.85952  88.45595 11.85396 97.28576 10.72202 
-8.829811      15.98368 
1 1 1 -3  18 16 o 131.5057 6.187527 176.4633       16.54677  149.0759       
22.99424  205.8764       23.82943  120.2195 9.482726 141.6023 8.311894 
-21.38278      12.60990 
1 1 1 -3  18 17 o 221.5262 4.989136 500.2983       22.47511  483.0947       
31.44271  518.2711       32.13791  217.3856 7.112752 225.1770 7.018465 
-7.791397      9.992501 
1 1 1 -3  18 18 o 187.1785 6.606943 358.1607       25.14826  351.3693       
29.84314  374.7969       46.70816  185.1767 7.925135 189.8931 12.15960 
-4.716385      14.51426 
1 1 1 -3  18 19 o 37.35859 15.57115 3.931432       19.64133  -1.051422      
23.04921  17.14448       37.53345  37.96276 16.38073 54.29449 21.95064 
-16.33173      27.38903 
1 1 1 -3  18 20 o 149.9580 8.878139 232.1981       26.95286  249.3666       
30.42018  169.5020       58.13203  155.1996 9.687128 121.9951 24.28645 
33.20455       26.14713 
1 1 1 -3  18 21 o 45.99620 16.24036 20.25738       18.93249  44.13952       
27.99481  0.1283287      25.70115  63.40558 19.66621 40.22332 17.32692 
23.18225       26.21034 
1 1 1 -3  18 22 o 135.2671 7.979240 189.5675       21.85132  187.9313       
31.70697  191.0475       30.15619  133.2177 11.82719 134.6353 11.11388 
-1.417603      16.22962 
1 1 1 -3  18 23 o 57.22495 15.49390 37.34653       18.47292  33.29079       
26.50059  41.18002       25.76429  55.05198 19.23074 59.63228 18.92074 
-4.580299      26.97806 
1 1 1 -3  18 24 o 59.32310 15.26854 41.22054       18.52759  41.43999       
26.04870  40.99586       26.35799  58.46851 19.06996 58.19912 19.19262 
0.2693901      27.05587 
1 1 1 -3  19 1  o 279.2792 5.086814 793.7091       28.88923  748.1696       
39.89963  843.8901       41.88362  271.0330 7.239278 287.8549 7.155157 
-16.82187      10.17858 
1 1 1 -3  19 2  o 352.2890 3.775365 1262.463       27.04640  1247.475       
30.62722  1315.551       57.64180  350.1678 4.301104 359.3433 7.888175 
-9.175507      8.984588 
1 1 1 -3  19 3  o 494.8478 9.582149 2496.871       96.42418  2496.871       
96.42418  0.000000       0.000000  494.8478 9.582149 ?        ?        
0.000000       9.582149 
1 1 1 -3  19 4  o 266.7978 4.065027 724.0907       22.05449  642.1783       
37.61839  766.9898       27.22385  251.1175 7.366680 274.5586 4.875993 
-23.44107      8.834210 
1 1 1 -3  19 5  o 513.9556 6.903857 2689.184       72.15540  0.000000       
0.000000  2689.184       72.15540  ?        ?        513.9556 6.903857 
0.000000       6.903857 
1 1 1 -3  19 6  o 573.3206 6.180429 3345.052       72.05557  3455.894       
128.8603  3294.627       86.91352  582.1985 10.88420 568.8621 7.513268 
13.33636       13.22555 
1 1 1 -3  19 7  o 229.2955 4.313307 534.7886       20.11209  530.4946       
35.83093  536.7639       24.30145  228.2747 7.718782 229.6981 5.202635 
-1.423325      9.308437 
1 1 1 -3  19 8  o 422.3162 9.004225 1816.382       77.32777  0.000000       
0.000000  1816.382       77.32777  ?        ?        422.3162 9.004225 
0.000000       9.004225 
1 1 1 -3  19 9  o 598.7888 5.627827 3648.050       68.52765  3664.243       
97.27826  3632.097       96.55130  599.9132 7.973994 597.2784 7.949318 
2.634766       11.25950 
1 1 1 -3  19 10 o 728.4568 6.571774 5401.232       97.35043  5253.598       
134.1076  5565.688       141.5416  718.0671 9.184109 739.0481 9.418026 
-20.98096      13.15474 
1 1 1 -3  19 11 o 267.9345 4.374441 730.3497       23.83431  685.4711       
33.03756  779.0582       34.41844  259.4930 6.260815 276.6481 6.118037 
-17.15506      8.753753 
1 1 1 -3  19 12 o 316.1694 5.194814 1017.465       33.39960  998.8229       
40.53858  1056.864       58.93280  313.1767 6.365429 321.8926 9.003155 
-8.715912      11.02613 
1 1 1 -3  19 13 o 302.4930 4.566875 931.3687       28.09221  927.1241       
40.04036  935.4833       39.42359  301.6331 6.527812 303.0029 6.398202 
-1.369873      9.140532 
1 1 1 -3  19 14 o 343.5346 5.319379 1202.231       37.16061  1187.902       
45.40215  1231.310       64.67898  341.3154 6.541376 347.0166 9.165613 
-5.701202      11.26046 
1 1 1 -3  19 15 o 51.26106 13.59353 28.08743       14.40121  29.54662       
20.30304  26.60988       20.43032  53.47908 16.77443 51.49771 16.89313 
1.981369       23.80670 
1 1 1 -3  19 16 o 144.8488 6.729320 214.2807       19.82155  210.5349       
23.70380  222.9901       36.14452  143.1978 8.174003 146.5269 12.24251 
-3.329102      14.72051 
1 1 1 -3  19 17 o 210.8647 6.042459 453.9610       25.91009  443.4671       
30.42523  481.6573       49.42847  208.2361 7.184994 215.8136 11.30212 
-7.577530      13.39261 
1 1 1 -3  19 18 f 111.8506 9.128074 129.4131       20.58097  132.4806       
24.68664  122.4221       37.26851  112.7744 10.90058 106.2579 17.88271 
6.516457       20.94311 
1 1 1 -3  19 19 o 125.6277 7.563748 162.3883       19.23288  186.7719       
27.11103  137.6842       27.28864  134.1933 10.00686 114.6093 11.88137 
19.58406       15.53396 
1 1 1 -3  19 20 o 140.4424 7.439991 202.8887       21.17245  234.2324       
30.17617  172.4980       29.71391  150.2763 9.930648 128.4078 11.50119 
21.86852       15.19524 
1 1 1 -3  19 21 o 121.7856 8.782804 153.8410       21.60509  123.1780       
30.11472  186.3616       31.01354  107.1615 14.16668 133.1852 11.56585 
-26.02371      18.28835 
1 1 1 -3  19 22 o 88.16513 11.09519 82.74427       19.45165  109.1150       
27.86604  57.68380       27.16494  100.1910 14.06455 70.84940 18.61328 
29.34161       23.32950 
1 1 1 -3  19 23 o 146.3315 7.413249 222.7928       21.98761  209.4329       
31.72592  235.1407       30.50061  139.8106 11.25426 148.8934 10.13382 
-9.082840      15.14439 
1 1 1 -3  19 24 o 35.56860 15.33559 2.738592       20.16976  -9.623250      
34.07066  9.408485       25.02640  40.34685 18.46738 41.41063 17.43887 
-1.063774      25.39996 
1 1 1 -3  20 1  o 194.5580 3.656907 385.0283       14.46820  384.4109       
17.01995  386.6368       27.47136  194.3870 4.305658 194.8633 6.932639 
-0.4763336     8.160893 
1 1 1 -3  20 2  o 94.32544 3.344837 90.49474       6.415864  91.77761       
6.974505  83.43533       16.36085  94.98907 3.610675 90.02545 9.060021 
4.963615       9.752997 
1 1 1 -3  20 3  o 435.1358 4.314043 1926.212       38.17339  1913.336       
43.55201  1968.899       79.29665  433.6428 4.938836 439.5504 8.871453 
-5.907562      10.15356 
1 1 1 -3  20 4  o 290.1275 4.075235 856.2377       24.04324  893.1121       
41.87368  838.1013       29.36667  296.1819 6.952342 287.0046 5.031696 
9.177307       8.582134 
1 1 1 -3  20 5  o 573.6996 6.101298 3349.554       71.18005  3435.970       
125.4433  3308.518       86.44408  580.5146 10.62632 570.0461 7.457167 
10.46851       12.98183 
1 1 1 -3  20 6  o 339.2509 3.943953 1170.614       27.20847  1197.140       
39.13717  1145.801       37.85218  343.0125 5.610842 335.5795 5.546820 
7.432983       7.889788 
1 1 1 -3  20 7  o 604.2104 5.589824 3714.333       68.68118  3658.930       
96.06177  3772.272       98.23441  599.4946 7.879776 608.7034 7.936088 
-9.208801      11.18358 
1 1 1 -3  20 8  o 402.6066 5.099825 1648.999       41.75299  1651.516       
51.16236  1643.981       72.24608  402.8588 6.245199 401.7735 8.842633 
1.085327       10.82565 
1 1 1 -3  20 9  f 585.7537 5.542247 3491.064       66.01647  3532.959       
94.37513  3450.923       92.37963  589.0457 7.878747 582.1746 7.803178 
6.871094       11.08892 
1 1 1 -3  20 10 o 529.5403 5.250300 2853.292       56.53725  2842.346       
79.71597  2864.370       80.19770  528.3257 7.419800 530.3669 7.435910 
-2.041199      10.50458 
1 1 1 -3  20 11 o 320.2557 4.463357 1043.535       29.06765  1059.667       
41.63031  1028.189       40.60461  322.6109 6.345696 317.7874 6.283293 
4.823517       8.930153 
1 1 1 -3  20 12 f 206.6314 6.816677 435.0097       28.64313  451.9949       
40.36507  417.7827       40.65144  210.4309 9.432890 202.2719 9.883005 
8.159042       13.66211 
1 1 1 -3  20 13 o 454.0297 7.111680 2102.088       65.66106  1977.919       
89.70267  2245.412       96.37329  439.7857 10.03027 468.5587 10.11443 
-28.77292      14.24458 
1 1 1 -3  20 14 o 184.9822 10.07690 351.5228       37.76311  351.5228       
37.76311  0.000000       0.000000  184.9822 10.07690 ?        ?        
0.000000       10.07690 
1 1 1 -3  20 15 o 267.7183 5.331503 730.5990       29.02547  744.1470       
51.31613  724.2256       35.19665  269.4785 9.364367 266.3844 6.497424 
3.094116       11.39771 
1 1 1 -3  20 16 o 32.36075 13.85063 -0.3160968     16.22972  27.98982       
28.72317  -13.59185      19.67086  55.38036 19.95524 30.47001 13.97803 
24.91035       24.36384 
1 1 1 -3  20 17 o 212.8319 5.963346 462.5289       25.80942  516.3348       
45.82325  437.5286       31.23513  223.9966 10.05989 206.7585 7.428969 
17.23813       12.50563 
1 1 1 -3  20 18 o 159.7794 8.909410 263.2022       28.83296  319.3265       
41.09644  208.7951       40.46286  175.2378 11.59812 140.6529 14.34763 
34.58488       18.44914 
1 1 1 -3  20 19 o 57.24976 16.35108 35.60391       19.98124  33.65511       
33.41550  36.68855       24.92908  59.41827 21.50637 58.69603 18.61024 
0.7222404      28.44055 
1 1 1 -3  20 20 o 36.98344 15.72932 1.542557       20.69268  12.69468       
37.09240  -3.496383      24.93307  52.06191 21.52343 38.37323 16.79095 
13.68869       27.29824 
1 1 1 -3  20 21 o 120.5375 12.14847 153.7024       29.37198  0.000000       
0.000000  153.7024       29.37198  ?        ?        120.5375 12.14847 
0.000000       12.14847 
1 1 1 -3  20 22 o 36.87290 16.45566 -6.372440      25.10775  0.000000       
0.000000  -6.372440      25.10775  ?        ?        36.87290 16.45566 
0.000000       16.45566 
1 1 1 -3  20 23 o 31.47248 14.39443 -10.19923      20.64492  32.06229       
39.53698  -26.04182      24.20717  56.97056 22.70259 30.10291 14.33932 
26.86766       26.85188 
1 1 1 -3  21 1  f 346.7650 7.834985 1224.703       55.24905  0.000000       
0.000000  1224.703       55.24905  ?        ?        346.7650 7.834985 
0.000000       7.834985 
1 1 1 -3  21 2  f 75.12639 4.657905 57.64117       7.080893  58.33048       
7.954201  55.00896       15.54347  75.53436 5.210321 72.64442 10.85481 
2.889938       12.04053 
1 1 1 -3  21 3  o 324.7387 3.683865 1072.621       24.32703  1060.051       
27.59661  1116.439       51.52484  322.8127 4.203912 331.1073 7.652379 
-8.294647      8.731081 
1 1 1 -3  21 4  o 217.6516 6.466341 482.1685       28.62015  482.1685       
28.62015  0.000000       0.000000  217.6516 6.466341 ?        ?        
0.000000       6.466341 
1 1 1 -3  21 5  o 516.7186 5.665956 2716.767       59.53586  2730.221       
102.9226  2710.001       72.98603  517.6161 9.778031 515.9775 6.955968 
1.638672       11.99981 
1 1 1 -3  21 6  o 467.6429 4.658720 2224.619       44.30293  2214.257       
62.55569  2235.048       62.75237  466.4417 6.595049 468.6271 6.584931 
-2.185394      9.319656 
1 1 1 -3  21 7  o 517.9671 5.023719 2729.355       52.91502  2709.498       
74.53529  2749.534       75.13457  515.9404 7.104131 519.7379 7.108926 
-3.797485      10.05015 
1 1 1 -3  21 8  o 378.9791 6.101165 1461.547       47.01966  1461.547       
47.01966  0.000000       0.000000  378.9791 6.101165 ?        ?        
0.000000       6.101165 
1 1 1 -3  21 9  o 260.1880 4.680153 688.7115       24.76275  674.0863       
30.08433  719.4376       43.60558  257.3742 5.748094 265.7831 8.067950 
-8.408905      9.906180 
1 1 1 -3  21 10 o 472.7168 5.684464 2274.307       54.64394  2280.546       
67.17606  2262.105       93.94745  473.2470 6.980319 470.9910 9.808914 
2.255981       12.03909 
1 1 1 -3  21 11 o 225.0888 4.521815 515.5433       20.69751  487.0212       
28.74696  546.2430       29.82415  218.6856 6.464284 231.6077 6.332333 
-12.92210      9.049055 
1 1 1 -3  21 12 o 335.5826 4.536145 1146.201       30.95549  1102.518       
42.95641  1193.391       44.64792  328.9584 6.421486 342.2476 6.415188 
-13.28915      9.076900 
1 1 1 -3  21 13 o 229.2859 5.270430 535.4836       24.57395  505.8992       
41.69971  551.2242       30.41673  222.4568 9.217981 232.5307 6.432516 
-10.07381      11.24048 
1 1 1 -3  21 14 o 177.8941 5.800664 322.6329       20.98412  328.2946       
26.08290  312.2446       35.33091  179.3233 7.152663 174.2648 10.01202 
5.058456       12.30452 
1 1 1 -3  21 15 o 114.2544 6.667582 133.7442       15.42419  143.8347       
21.86194  123.7434       21.76459  118.1145 9.173917 109.3721 9.892791 
8.742401       13.49178 
1 1 1 -3  21 16 o 183.3126 5.194937 342.6895       19.36529  318.8864       
26.82789  368.5843       27.98185  176.5508 7.472488 189.8450 7.248128 
-13.29417      10.41026 
1 1 1 -3  21 17 o 115.7495 7.281192 137.6729       17.05117  171.7487       
24.83513  107.2863       23.45224  128.8839 9.543652 101.2341 11.60160 
27.64977       15.02259 
1 1 1 -3  21 18 o 33.92701 14.60819 -0.7719641     18.25207  -3.022222      
21.88245  4.373057       33.08822  36.18777 15.78516 47.06716 19.94870 
-10.87939      25.43859 
1 1 1 -3  21 19 o 109.9992 9.503362 125.6913       21.04903  156.5052       
35.65561  109.2081       26.07812  121.1665 14.77696 101.5401 12.92233 
19.62638       19.63021 
1 1 1 -3  21 20 o 100.9380 9.695537 106.2609       19.65629  103.8033       
28.95724  108.3610       26.76803  98.08996 14.99328 100.8280 13.38611 
-2.737999      20.09941 
1 1 1 -3  21 21 o 206.8281 6.194179 438.7467       26.05221  492.0624       
38.47902  393.6218       35.40005  218.1294 8.674776 194.9970 8.927390 
23.13243       12.44789 
1 1 1 -3  21 22 o 43.66099 15.83864 18.33134       18.13858  2.090064       
25.73507  34.36415       25.56937  40.20096 17.32775 55.88040 18.91232 
-15.67944      25.65009 
1 1 1 -3  21 23 o 64.51045 14.26112 47.61753       18.21097  44.68649       
26.50027  50.24025       25.06779  60.81231 19.17780 64.50226 18.27702 
-3.689953      26.49222 
1 1 1 -3  22 1  o 432.8066 4.899261 1905.793       43.11972  1875.173       
51.27170  1979.782       79.69955  429.2580 5.873647 440.8181 8.890887 
-11.56003      10.65587 
1 1 1 -3  22 2  o 244.2302 7.102181 607.2645       35.27301  0.000000       
0.000000  607.2645       35.27301  ?        ?        244.2302 7.102181 
0.000000       7.102181 
1 1 1 -3  22 3  o 217.9155 7.245285 483.4622       32.10665  0.000000       
0.000000  483.4622       32.10665  ?        ?        217.9155 7.245285 
0.000000       7.245285 
1 1 1 -3  22 4  o 555.3139 7.217858 3139.303       81.50764  3267.563       
119.1246  3026.401       111.7654  566.1770 10.34661 544.9175 10.08614 
21.25946       14.44931 
1 1 1 -3  22 5  o 569.6839 6.093930 3302.580       70.59644  3316.644       
87.20690  3275.840       120.2499  570.7711 7.513416 566.9146 10.43075 
3.856506       12.85504 
1 1 1 -3  22 6  o 642.9901 6.727532 4207.876       87.96533  4206.080       
108.1039  4211.398       151.3332  642.6889 8.271588 642.6309 11.58034 
0.5798340E-01  14.23107 
1 1 1 -3  22 7  o 740.9214 6.579216 5587.113       99.12833  5529.415       
138.9196  5646.968       141.4931  736.7333 9.272607 744.5120 9.345703 
-7.778748      13.16523 
1 1 1 -3  22 8  f 516.8815 5.878318 2718.746       61.78677  2709.370       
75.43114  2737.863       107.7120  515.8818 7.190333 518.2549 10.22043 
-2.373169      12.49632 
1 1 1 -3  22 9  o 319.4716 4.216702 1038.255       27.39408  1038.384       
38.72774  1038.126       38.75442  319.4113 5.962391 319.3713 5.967245 
0.3994751E-01  8.435527 
1 1 1 -3  22 10 o 291.4910 4.258845 864.4506       25.24459  832.3540       
34.95434  899.4451       36.49817  285.9406 6.011375 297.2397 6.038274 
-11.29904      8.520410 
1 1 1 -3  22 11 o 152.2401 5.252598 235.9352       16.26128  219.5641       
22.97594  252.3662       23.01796  146.5593 7.736595 157.3708 7.192689 
-10.81148      10.56360 
1 1 1 -3  22 12 o 90.23662 7.762413 83.67652       14.10532  91.25764       
20.75700  77.17206       19.22666  93.77693 11.10010 86.10425 11.24956 
7.672684       15.80395 
1 1 1 -3  22 13 o 249.0459 5.198863 631.8441       26.32929  655.7072       
46.57068  620.6333       31.92037  253.2160 9.044198 246.7094 6.362544 
6.506561       11.05801 
1 1 1 -3  22 14 o 51.80021 14.35843 28.60761       15.64958  37.80286       
19.78460  13.23778       25.57880  59.31823 16.02362 46.45254 18.33942 
12.86569       24.35345 
1 1 1 -3  22 15 o 256.2038 4.674152 668.9117       24.35229  718.1251       
35.43781  624.8787       33.52078  265.1707 6.571885 247.3410 6.664486 
17.82976       9.359756 
1 1 1 -3  22 16 o 262.8234 5.465509 704.8132       29.21098  694.1315       
50.54263  710.1707       35.79451  259.8870 9.563611 263.5929 6.677769 
-3.705933      11.66427 
1 1 1 -3  22 17 o 209.5684 6.020148 448.7383       25.65573  462.3763       
45.23520  442.2709       31.15051  211.6767 10.50877 207.8002 7.371701 
3.876480       12.83652 
1 1 1 -3  22 18 o 222.5529 6.223336 506.5950       28.16488  517.2803       
34.25937  484.3150       49.47002  224.5875 7.501400 215.8632 11.30903 
8.724304       13.57075 
1 1 1 -3  22 19 o 94.36984 9.518986 92.80875       18.01778  103.0915       
25.33769  82.29007       25.62675  98.54607 12.95793 87.24063 14.98510 
11.30544       19.81064 
1 1 1 -3  22 20 o 114.7566 8.559479 136.5031       19.83082  152.7530       
28.37234  120.9821       27.72876  120.4628 11.73104 106.6327 13.06061 
13.83005       17.55554 
1 1 1 -3  22 21 o 46.14365 16.15374 21.17314       18.70343  8.942176       
26.80055  32.78555       26.11408  44.07097 18.26371 55.69624 19.11058 
-11.62527      26.43440 
1 1 1 -3  22 22 o 51.79984 15.89611 30.07413       18.34564  33.02807       
26.20818  27.23609       25.68892  54.93824 19.12811 51.57451 18.82767 
3.363728       26.83963 
1 1 1 -3  22 23 o 104.5487 13.31004 122.0178       27.65588  122.0178       
27.65588  0.000000       0.000000  104.5487 13.31004 ?        ?        
0.000000       13.31004 
1 1 1 -3  23 1  o 126.6538 3.999146 163.1650       10.29999  163.1650       
10.29999  0.000000       0.000000  126.6538 3.999146 ?        ?        
0.000000       3.999146 
1 1 1 -3  23 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -3  23 3  o 459.0969 5.149236 2144.390       48.07270  2148.690       
58.06258  2135.017       85.72055  459.4909 6.213953 457.7756 9.208331 
1.715302       11.10885 
1 1 1 -3  23 4  o 441.0492 5.053497 1979.030       45.32423  1931.490       
53.78110  2095.551       84.19900  435.6626 6.070549 453.5443 9.129265 
-17.88168      10.96335 
1 1 1 -3  23 5  o 310.4415 3.820583 980.2241       24.11909  972.1958       
33.99043  988.3658       34.22992  309.1161 5.407338 311.6765 5.400705 
-2.560303      7.642442 
1 1 1 -3  23 6  o 257.7344 4.362659 675.7032       22.86520  736.9714       
42.37046  650.5295       27.15938  269.0394 7.744545 252.8621 5.281834 
16.17728       9.374206 
1 1 1 -3  23 7  o 124.9477 4.732184 158.8231       12.02379  184.0821       
17.51247  136.2975       16.53778  134.4868 6.403483 115.4936 7.075654 
18.99316       9.543033 
1 1 1 -3  23 8  o 34.50075 12.81601 9.285619       11.98921  4.130098       
14.74730  19.33500       20.58951  33.53649 13.68479 47.20413 16.90721 
-13.66764      21.75149 
1 1 1 -3  23 9  o 248.5275 4.146247 628.3584       20.95468  631.9193       
29.63329  624.7969       29.63549  249.1634 5.848497 247.7537 5.882212 
1.409698       8.294898 
1 1 1 -3  23 10 o 238.8913 4.339584 580.6805       21.08142  600.0235       
29.98597  561.7759       29.64423  242.7531 6.074379 234.8814 6.206405 
7.871689       8.684327 
1 1 1 -3  23 11 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -3  23 12 o 142.5274 5.631570 206.9559       16.32223  207.3069       
23.94697  206.6513       22.30647  142.2424 8.315049 142.0880 7.749352 
0.1544037      11.36629 
1 1 1 -3  23 13 o 154.3272 10.66717 245.4494       33.27129  245.4494       
33.27129  0.000000       0.000000  154.3272 10.66717 ?        ?        
0.000000       10.66717 
1 1 1 -3  23 14 o 99.35822 10.25667 102.4188       20.42529  106.5283       
29.27873  98.52267       28.50814  100.3173 14.79670 96.33746 15.04372 
3.979813       21.10109 
1 1 1 -3  23 15 o 196.1586 5.001928 392.3142       19.95245  429.7592       
28.85200  357.9933       27.62221  205.0488 6.919383 187.0970 7.260058 
17.95175       10.02927 
1 1 1 -3  23 16 o 162.2347 5.556239 268.6521       18.33057  257.7786       
26.11519  279.2118       25.73567  158.3644 8.136801 165.1045 7.665227 
-6.740112      11.17870 
1 1 1 -3  23 17 o 86.81891 9.151889 78.38910       15.91416  65.02585       
22.83052  91.01872       22.19498  77.50602 15.02777 92.92782 12.02731 
-15.42180      19.24812 
1 1 1 -3  23 18 o 208.8909 7.835499 448.0801       33.28416  485.6076       
47.32698  411.3539       46.81895  216.5251 10.74853 198.6537 11.64055 
17.87140       15.84403 
1 1 1 -3  23 19 o 67.59046 13.23258 49.40117       17.53687  51.96307       
24.44048  46.68239       25.17770  68.39074 17.50110 64.89545 18.29214 
3.495293       25.31582 
1 1 1 -3  23 20 o 119.7915 8.505759 148.7964       20.58535  133.0285       
28.40024  166.2505       29.88029  111.8860 12.70773 125.5555 11.84292 
-13.66948      17.37069 
1 1 1 -3  23 21 o 126.9299 8.137238 167.3812       20.89291  172.5519       
29.24515  161.9914       29.85846  127.6057 11.38995 123.3086 12.06202 
4.297150       16.58986 
1 1 1 -3  23 22 o 24.15576 11.68086 -25.84868      17.49021  1.470863       
24.34491  -54.99169      25.14425  38.63572 16.75261 25.58923 12.69467 
13.04649       21.01915 
1 1 1 -3  23 23 o 124.1513 11.73013 169.1400       29.26367  169.1400       
29.26367  0.000000       0.000000  124.1513 11.73013 ?        ?        
0.000000       11.73013 
1 1 1 -3  24 1  o 79.35101 3.622095 64.04165       5.844721  81.90509       
7.838814  41.67767       8.770862  89.73234 4.295858 63.61605 6.890020 
26.11629       8.119531 
1 1 1 -3  24 2  o 209.5659 3.658314 446.6847       15.59025  453.1747       
18.19837  428.7845       30.22290  211.0713 4.239864 205.2285 7.241807 
5.842773       8.391675 
1 1 1 -3  24 3  o 497.3696 9.740682 2520.885       98.51899  0.000000       
0.000000  2520.885       98.51899  ?        ?        497.3696 9.740682 
0.000000       9.740682 
1 1 1 -3  24 4  o 372.5570 4.034671 1411.800       30.56696  1409.048       
34.92556  1420.805       63.18674  372.1718 4.614753 373.5109 8.319003 
-1.339020      9.513241 
1 1 1 -3  24 5  o 395.0484 4.225980 1587.471       33.94917  1600.054       
48.35798  1575.243       47.67212  396.5258 5.997155 393.4416 5.958442 
3.084229       8.453928 
1 1 1 -3  24 6  o 181.2251 4.557949 334.1029       16.79729  316.9553       
29.89893  342.0110       20.30445  176.4075 8.334646 183.3373 5.446143 
-6.929733      9.956244 
1 1 1 -3  24 7  o 562.0880 5.340078 3214.863       61.03842  3308.216       
88.41939  3129.873       84.36594  569.9636 7.628673 554.4039 7.483235 
15.55963       10.68623 
1 1 1 -3  24 8  o 385.3083 4.421512 1510.421       34.64420  1485.389       
48.48905  1536.525       49.51569  381.9887 6.242259 388.5064 6.267484 
-6.517670      8.845741 
1 1 1 -3  24 9  o 468.4717 5.609648 2233.986       53.44049  2290.266       
93.62420  2206.788       65.08477  473.7997 9.717217 465.4789 6.875874 
8.320740       11.90386 
1 1 1 -3  24 10 o 242.9592 4.979603 600.8448       24.60252  606.9515       
41.79509  597.6069       30.43395  243.9431 8.425301 242.2325 6.178378 
1.710587       10.44787 
1 1 1 -3  24 11 o 612.9313 8.289467 3834.476       103.3213  3821.306       
145.4343  3847.897       146.8122  610.7182 11.71047 612.8113 11.78105 
-2.093140      16.61109 
1 1 1 -3  24 12 o 324.3611 4.517955 1071.281       29.80040  1036.281       
41.97505  1106.852       42.31527  318.7771 6.475193 329.4763 6.315701 
-10.69925      9.045230 
1 1 1 -3  24 13 o 206.8497 5.438102 436.1545       22.87461  436.6346       
39.59186  435.9139       28.02551  206.4355 9.431267 206.6599 6.668774 
-0.2243347     11.55082 
1 1 1 -3  24 14 o 220.5718 9.319658 499.1015       41.80242  0.000000       
0.000000  499.1015       41.80242  ?        ?        220.5718 9.319658 
0.000000       9.319658 
1 1 1 -3  24 15 o 146.8627 5.632675 220.1257       16.82200  233.6134       
23.96441  207.0238       23.61915  150.8320 7.840102 141.8937 8.220806 
8.938248       11.35997 
1 1 1 -3  24 16 o 205.5140 5.124996 430.9589       21.41837  457.0683       
31.07719  407.3365       29.56002  211.2794 7.233244 199.4436 7.288416 
11.83585       10.26844 
1 1 1 -3  24 17 o 161.6733 5.763240 267.1224       18.94770  260.8842       
26.98606  273.1880       26.61009  159.1139 8.369687 163.1105 8.022561 
-3.996613      11.59367 
1 1 1 -3  24 18 o 229.5360 7.799936 541.2678       36.40771  484.2309       
49.65696  607.5699       53.53840  215.5845 11.36708 242.0151 10.87856 
-26.43062      15.73384 
1 1 1 -3  24 19 o 68.33767 15.47352 51.41047       21.00317  20.34981       
35.26779  68.48056       26.14512  53.86197 21.44878 78.66511 16.85144 
-24.80314      27.27676 
1 1 1 -3  24 20 o 162.7359 6.803352 272.0616       22.51426  283.0715       
31.28767  260.2384       32.42260  164.9918 9.363816 157.8671 10.15347 
7.124634       13.81210 
1 1 1 -3  24 21 o 97.32021 10.11172 100.1716       19.71933  127.4229       
27.06063  69.31559       28.79478  108.8720 12.44646 77.34536 18.54711 
31.52663       22.33629 
1 1 1 -3  24 22 o 66.30814 13.97465 49.82817       18.24919  60.78568       
25.71383  38.70823       25.90373  71.46645 17.76903 57.47877 19.02996 
13.98768       26.03609 
1 1 1 -3  24 23 o 54.18167 15.68807 35.09541       18.27807  24.82745       
25.79779  45.44547       25.90071  48.41634 18.61618 60.07625 18.96110 
-11.65990      26.57227 
1 1 1 -3  25 1  o 183.3939 3.089964 342.0524       11.52364  408.5281       
16.47813  278.4229       16.12150  200.4072 4.043368 165.4321 4.792193 
34.97513       6.270082 
1 1 1 -3  25 2  o 196.5409 3.296376 392.8644       13.17471  384.9876       
14.65356  426.0860       30.09395  194.5538 3.703838 204.5786 7.233817 
-10.02478      8.126902 
1 1 1 -3  25 3  o 253.8248 3.472754 655.2665       17.92502  650.1028       
20.21090  674.2988       38.80177  252.8122 3.931299 257.3494 7.414415 
-4.537216      8.392179 
1 1 1 -3  25 4  o 333.6196 3.861359 1132.100       26.19650  1115.092       
29.65212  1192.578       55.91515  331.0858 4.404167 342.2046 8.035116 
-11.11887      9.162957 
1 1 1 -3  25 5  o 358.9094 4.644223 1310.479       33.89607  1299.743       
57.23469  1316.279       42.06672  357.2517 7.878319 359.6499 5.751846 
-2.398193      9.754570 
1 1 1 -3  25 6  o 300.8699 5.593723 921.1904       34.22403  0.000000       
0.000000  921.1904       34.22403  ?        ?        300.8699 5.593723 
0.000000       5.593723 
1 1 1 -3  25 7  o 554.2246 6.098096 3126.678       68.72765  3073.029       
116.8457  3155.058       84.98306  548.8467 10.46912 556.5721 7.508609 
-7.725403      12.88339 
1 1 1 -3  25 8  o 656.0115 6.027753 4381.188       80.41152  4460.299       
115.7829  4307.477       111.7618  661.4747 8.607554 650.0734 8.454336 
11.40131       12.06507 
1 1 1 -3  25 9  o 240.5798 4.236742 588.9258       20.72729  552.5112       
28.75503  628.3097       29.90438  232.9327 6.070605 248.4065 5.919982 
-15.47380      8.479295 
1 1 1 -3  25 10 o 276.7162 4.320375 779.2968       24.31126  787.9941       
34.74795  770.9570       34.02604  278.1211 6.143895 275.1033 6.082247 
3.017792       8.645298 
1 1 1 -3  25 11 f 294.5346 5.109620 883.5186       30.60387  886.7660       
37.75636  877.2982       52.25598  294.9486 6.294951 293.0230 8.769662 
1.925598       10.79506 
1 1 1 -3  25 12 o 246.9163 4.486729 620.8868       22.52843  647.9122       
32.58683  596.1449       31.17976  252.0308 6.358242 241.7547 6.342295 
10.27609       8.980643 
1 1 1 -3  25 13 o 104.3960 7.843080 112.0806       16.52860  90.29551       
28.51363  123.1055       20.28426  91.93369 15.82271 109.2125 9.219638 
-17.27884      18.31284 
1 1 1 -3  25 14 o 153.9314 6.263120 241.9787       19.60511  227.0619       
23.74003  273.9681       34.76536  148.7185 7.877995 162.8083 10.55765 
-14.08972      13.17296 
1 1 1 -3  25 15 o 140.6934 5.784630 202.1206       16.55011  216.8656       
23.45976  187.5114       23.35139  145.2454 7.973232 134.9116 8.555894 
10.33379       11.69512 
1 1 1 -3  25 16 o 323.0368 4.756299 1064.488       31.24442  1055.111       
43.85894  1074.151       44.52108  321.0916 6.717038 323.9631 6.758009 
-2.871521      9.528341 
1 1 1 -3  25 17 o 139.2198 6.381504 198.3875       18.06657  210.9733       
25.44635  185.5946       25.65489  142.8813 8.800691 133.7990 9.490578 
9.082306       12.94308 
1 1 1 -3  25 18 o 244.1032 7.710874 612.3438       38.27617  671.1132       
53.44231  550.4456       54.84637  254.4808 10.32711 229.5373 11.78994 
24.94347       15.67328 
1 1 1 -3  25 19 o 129.9576 8.528771 174.9225       22.41420  178.2236       
37.70931  173.1191       27.87233  128.9519 14.63982 128.5930 10.75753 
0.3588715      18.16724 
1 1 1 -3  25 20 o 87.13857 10.98432 80.61176       19.03165  95.62556       
26.66377  65.01888       27.17311  93.68799 14.46094 75.66846 17.93333 
18.01953       23.03743 
1 1 1 -3  25 21 o 71.60701 12.94751 56.40253       18.15959  74.50346       
24.94448  35.99212       26.48804  81.30563 15.65502 56.84857 19.24902 
24.45707       24.81138 
1 1 1 -3  25 22 o 54.49167 15.42842 34.58043       17.86996  35.26612       
24.31680  33.77532       26.34925  54.88237 18.44391 54.23425 19.15806 
0.6481285      26.59340 
1 1 1 -3  25 23 o 89.01686 14.64107 92.58047       25.58143  80.66437       
37.69021  102.7588       34.83361  75.93788 22.67476 89.38057 19.69592 
-13.44269      30.03455 
1 1 1 -3  26 1  o 481.6328 4.588986 2359.889       44.94529  2405.157       
63.76751  2315.200       63.35894  486.1002 6.450929 476.9164 6.533024 
9.183746       9.181225 
1 1 1 -3  26 2  o 422.1061 4.891034 1812.737       41.98303  1770.354       
49.57734  1920.171       78.93310  417.0869 5.845279 434.1185 8.941275 
-17.03162      10.68240 
1 1 1 -3  26 3  o 223.6097 3.846512 508.5939       17.49078  504.9098       
20.49962  518.4537       33.53652  222.7817 4.524961 225.6525 7.308471 
-2.870743      8.595872 
1 1 1 -3  26 4  o 250.9465 3.604605 640.5244       18.39459  641.8351       
20.92717  636.0707       38.57472  251.1903 4.096909 249.9224 7.590077 
1.267929       8.625192 
1 1 1 -3  26 5  o 442.4050 6.394053 1992.350       57.52382  1992.350       
57.52382  0.000000       0.000000  442.4050 6.394053 ?        ?        
0.000000       6.394053 
1 1 1 -3  26 6  o 251.9007 8.099760 646.4891       41.49091  646.4891       
41.49091  0.000000       0.000000  251.9007 8.099760 ?        ?        
0.000000       8.099760 
1 1 1 -3  26 7  o 316.0932 4.101220 1016.493       26.36208  1011.048       
37.27105  1021.944       37.29219  315.1530 5.815656 316.8483 5.787821 
-1.695313      8.204921 
1 1 1 -3  26 8  o 574.9602 5.494990 3365.271       64.24748  3331.636       
90.30378  3399.746       91.42593  571.7366 7.767093 577.5480 7.784485 
-5.811401      10.99663 
1 1 1 -3  26 9  o 149.3067 5.005558 226.9332       15.19789  236.7303       
21.56752  217.2703       21.41937  152.4109 6.958772 145.9997 7.214454 
6.411240       10.02361 
1 1 1 -3  26 10 o 268.8761 4.330572 735.8760       23.67821  717.3506       
33.38700  754.6228       33.58599  265.3179 6.188129 272.1350 6.069073 
-6.817078      8.667560 
1 1 1 -3  26 11 o 588.6839 6.591701 3534.743       78.90982  3534.076       
96.84020  3536.061       136.1270  588.1566 8.096761 586.9512 11.40488 
1.205383       13.98674 
1 1 1 -3  26 12 o 219.8540 4.583521 492.3754       20.49203  468.2873       
28.98447  516.4490       28.97575  214.1887 6.654529 224.9748 6.333581 
-10.78607      9.186785 
1 1 1 -3  26 13 o 110.3091 7.465691 125.0050       16.64823  137.6508       
29.29640  118.9735       20.23256  114.7021 12.77720 107.2812 9.368163 
7.420883       15.84359 
1 1 1 -3  26 14 o 167.2342 5.318649 285.3367       18.08747  293.0294       
24.92184  276.7747       26.29223  169.2269 7.242014 164.3731 7.865845 
4.853821       10.69197 
1 1 1 -3  26 15 o 146.8073 5.696585 220.1098       17.00645  214.7696       
23.36756  226.1235       24.79760  144.4937 7.983643 148.2151 8.260295 
-3.721451      11.48786 
1 1 1 -3  26 16 o 149.2656 5.840142 227.7377       17.72697  237.6813       
24.95487  217.6090       25.18618  151.9095 8.107590 145.2247 8.566383 
6.684738       11.79474 
1 1 1 -3  26 17 o 94.88068 8.654969 93.46769       16.51539  78.13374       
22.70447  110.6983       24.06767  85.36065 13.53116 102.4893 11.76089 
-17.12865      17.92794 
1 1 1 -3  26 18 o 130.4118 8.405210 175.9378       22.17163  201.7371       
38.84292  163.4696       27.00276  137.6594 14.07359 125.0094 10.72608 
12.64999       17.69505 
1 1 1 -3  26 19 o 205.9215 6.682496 435.2776       27.98284  367.8534       
47.06042  472.1553       34.80407  186.7454 12.46397 214.0289 7.996615 
-27.28355      14.80866 
1 1 1 -3  26 20 o 45.32850 15.99332 20.35498       18.35776  -6.145279      
26.48443  44.86197       25.46892  38.06906 16.95159 62.77704 18.61554 
-24.70798      25.17726 
1 1 1 -3  26 21 o 175.8251 6.324739 318.9031       22.61387  327.9638       
30.93662  308.5067       33.13847  177.2384 8.583488 171.1259 9.561051 
6.112473       12.84873 
1 1 1 -3  26 22 o 46.99401 15.77169 24.94100       17.78079  38.53689       
25.79684  12.63589       24.54176  56.45673 18.99680 42.55039 17.54145 
13.90633       25.85693 
1 1 1 -3  27 1  o 379.4763 4.057953 1464.859       31.31432  1444.223       
44.09628  1485.853       44.47646  376.7038 5.756393 382.0966 5.724078 
-5.392822      8.117951 
1 1 1 -3  27 2  o 481.1906 4.669540 2355.738       45.69226  2318.650       
51.74605  2487.005       97.35114  477.3426 5.330840 493.9054 9.692725 
-16.56281      11.06195 
1 1 1 -3  27 3  o 167.8874 3.544130 286.6928       12.09983  277.5565       
13.44201  325.7112       27.77872  165.1823 4.001742 178.8284 7.638785 
-13.64607      8.623513 
1 1 1 -3  27 4  o 257.6187 4.333306 675.1866       22.70116  720.8465       
28.20852  591.2623       38.24343  266.1531 5.211914 240.9228 7.805983 
25.23038       9.386023 
1 1 1 -3  27 5  o 649.3181 5.873879 4291.624       77.55930  4225.631       
88.13833  4518.089       163.2743  644.1942 6.728164 665.0338 12.07321 
-20.83954      13.82138 
1 1 1 -3  27 6  o 700.3392 7.275359 4996.328       103.6130  4943.997       
178.9747  5022.708       127.0732  695.3459 12.65725 701.8593 8.903331 
-6.513367      15.47499 
1 1 1 -3  27 7  o 319.4860 4.159705 1038.542       27.02501  998.5815       
37.49419  1081.749       38.98781  313.1713 5.887497 325.9522 5.881980 
-12.78091      8.322278 
1 1 1 -3  27 8  o 273.0445 4.174383 758.6433       23.17807  718.3342       
32.05990  802.7817       33.54820  265.5826 5.936236 280.7645 5.875916 
-15.18192      8.352562 
1 1 1 -3  27 9  o 266.3004 6.034181 722.5122       32.67696  722.5122       
32.67696  0.000000       0.000000  266.3004 6.034181 ?        ?        
0.000000       6.034181 
1 1 1 -3  27 10 o 37.67987 13.23564 12.89231       12.56148  9.060319       
18.22659  16.35899       17.33607  39.25198 15.48596 43.18838 15.50923 
-3.936398      21.91691 
1 1 1 -3  27 11 o 593.2800 6.639933 3591.888       80.10780  3589.232       
98.16753  3597.183       138.5930  592.5161 8.147348 591.5585 11.52105 
0.9576416      14.11077 
1 1 1 -3  27 12 o 45.95997 13.27857 22.32985       13.10744  33.24836       
19.37348  13.11308       17.79980  55.83833 16.14658 41.21333 15.55398 
14.62500       22.41960 
1 1 1 -3  27 13 o 150.6950 5.427635 231.6827       16.63263  234.3888       
23.57018  228.9986       23.47429  151.1221 7.695247 149.3591 7.755437 
1.763000       10.92537 
1 1 1 -3  27 14 o 79.64149 8.951221 65.96037       14.24570  80.05241       
19.73441  50.62667       20.58545  87.29462 11.38824 68.26289 15.21773 
19.03172       19.00714 
1 1 1 -3  27 15 o 26.35466 11.88189 -6.577245      13.46149  -10.50124      
18.68200  -2.339751      19.41394  30.41840 13.82709 34.29209 14.91468 
-3.873692      20.33805 
1 1 1 -3  27 16 o 53.58277 13.15952 31.19474       14.23452  18.02792       
19.27329  46.99617       21.11366  44.81942 16.31619 65.34916 16.01337 
-20.52974      22.86145 
1 1 1 -3  27 17 o 38.60860 14.59492 11.87926       15.68871  4.457076       
22.12677  19.38307       22.24812  39.32729 16.47079 47.03435 17.46106 
-7.707062      24.00366 
1 1 1 -3  27 18 o 144.9248 7.843565 216.8042       23.02970  236.3368       
40.59655  207.5358       27.96483  149.1929 13.52814 141.1899 9.800662 
8.002960       16.70520 
1 1 1 -3  27 19 f 64.48743 15.60813 46.33859       20.24779  76.31201       
34.74487  30.92491       24.91585  81.09479 20.92817 54.42384 18.66740 
26.67095       28.04389 
1 1 1 -3  27 20 o 141.7569 7.334433 208.1238       21.07041  259.4171       
31.14287  164.8236       28.61366  157.2213 9.789390 124.4546 11.43392 
32.76672       15.05213 
1 1 1 -3  27 21 o 73.71690 12.33289 59.94515       17.83461  59.66138       
24.78203  60.25001       25.68616  71.12479 17.30018 71.23729 17.78585 
-0.1125031     24.81195 
1 1 1 -3  27 22 f 36.17544 14.57680 9.495988       16.49252  -1.655856      
23.25950  20.77228       23.38892  35.77955 15.91193 45.61660 17.67390 
-9.837044      23.78142 
1 1 1 -3  28 1  o 362.8634 3.530363 1339.321       26.05037  1406.014       
34.61345  1252.195       39.56208  371.7365 4.578869 350.7574 5.546523 
20.97910       7.192354 
1 1 1 -3  28 2  o 381.8112 4.778884 1483.348       37.10450  1486.395       
44.91709  1476.800       65.83801  382.1373 5.780171 380.6602 8.505264 
1.477173       10.28348 
1 1 1 -3  28 3  o 428.4233 4.381837 1867.438       38.17515  1847.509       
43.34955  1936.285       80.57322  426.0898 5.003018 435.7881 9.092094 
-9.698334      10.37769 
1 1 1 -3  28 4  o 230.7551 3.645117 541.6580       17.10465  544.1534       
19.42062  533.0273       36.11723  231.2709 4.129436 228.7223 7.765234 
2.548645       8.794947 
1 1 1 -3  28 5  o 112.7092 4.790814 129.2740       10.98045  130.1640       
12.41619  126.0797       23.52299  113.0834 5.399310 110.6248 10.58580 
2.458588       11.88325 
1 1 1 -3  28 6  o 59.08160 11.34926 36.86911       13.13995  76.33733       
24.58540  21.08687       15.54668  85.08125 14.74416 45.89757 14.71198 
39.18368       20.82865 
1 1 1 -3  28 7  o 511.1341 5.071916 2659.548       52.71793  2618.343       
73.51699  2703.164       75.63703  506.8646 7.132542 514.9937 7.222393 
-8.129120      10.15067 
1 1 1 -3  28 8  o 171.3460 6.431097 299.1858       22.40838  299.1858       
22.40838  0.000000       0.000000  171.3460 6.431097 ?        ?        
0.000000       6.431097 
1 1 1 -3  28 9  o 546.9628 5.375896 3047.550       59.79434  3078.120       
85.21389  3017.898       83.92479  549.1779 7.630375 543.7902 7.589401 
5.387756       10.76205 
1 1 1 -3  28 10 o 92.66399 7.146805 88.17091       13.36310  76.58310       
18.72919  100.1868       19.07202  85.69923 11.00108 98.44388 9.651127 
-12.74465      14.63448 
1 1 1 -3  28 11 o 191.9949 5.395710 375.8225       21.06637  348.3062       
25.07686  441.8103       38.83380  184.6994 6.676614 207.6320 9.197381 
-22.93259      11.36525 
1 1 1 -3  28 12 o 398.9516 5.488089 1623.672       44.52385  1559.350       
76.02653  1657.249       54.92877  389.6485 9.594906 402.7274 6.707139 
-13.07886      11.70675 
1 1 1 -3  28 13 o 95.34874 7.265811 93.58427       13.98199  114.1922       
19.71332  72.72262       19.83428  104.9992 9.329760 82.98474 12.11020 
22.01450       15.28729 
1 1 1 -3  28 14 o 213.7227 6.656175 467.3520       28.92856  0.000000       
0.000000  467.3520       28.92856  ?        ?        213.7227 6.656175 
0.000000       6.656175 
1 1 1 -3  28 15 o 101.3241 7.522035 105.8937       15.38826  106.8663       
21.52872  104.8778       22.00362  101.0847 10.63264 100.0331 10.99842 
1.051582       15.29765 
1 1 1 -3  28 16 o 41.40759 14.31501 16.60686       14.66579  14.79112       
20.19818  18.63163       21.32912  43.30949 16.51493 46.17149 17.10537 
-2.862000      23.77680 
1 1 1 -3  28 17 o 99.68478 8.222609 103.0543       16.51949  75.03782       
22.87169  133.6094       23.88545  83.30203 13.99828 112.9453 10.52056 
-29.64330      17.51097 
1 1 1 -3  28 18 o 205.5447 6.501412 433.4816       27.17474  420.2680       
47.79785  439.7926       33.03280  200.0094 11.80417 206.6048 7.862371 
-6.595444      14.18293 
1 1 1 -3  28 19 o 179.9529 8.185802 334.9060       29.95515  373.9378       
46.72320  307.6661       39.03251  187.8157 12.30142 170.8463 11.29870 
16.96947       16.70286 
1 1 1 -3  28 20 o 27.93229 12.93299 -12.54932      17.40210  18.26609       
25.73981  -38.49264      23.61751  47.04807 18.45343 27.21418 13.25512 
19.83389       22.72064 
1 1 1 -3  28 21 o 89.88163 10.08995 86.89341       18.12361  100.5192       
25.25690  72.43012       26.02149  94.84637 13.47388 78.31252 16.84027 
16.53384       21.56710 
1 1 1 -3  28 22 o 82.89690 10.89877 76.01482       17.92713  52.62075       
24.35832  103.6616       26.47993  64.49120 17.92672 94.53118 14.21497 
-30.03998      22.87865 
1 1 1 -3  29 1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -3  29 2  o 432.4564 4.394741 1902.930       38.64801  1883.082       
43.87961  1971.595       81.61554  430.1478 5.016418 439.6589 9.128629 
-9.511139      10.41616 
1 1 1 -3  29 3  o 210.3988 3.610388 450.3254       15.44716  459.5902       
17.44817  416.7400       33.22054  212.5388 4.037015 202.1974 8.079410 
10.34134       9.031853 
1 1 1 -3  29 4  o 129.9744 4.934919 171.9347       13.04335  170.3273       
15.31839  176.1730       24.87378  129.3404 5.824080 131.0647 9.394965 
-1.724304      11.05375 
1 1 1 -3  29 5  o 269.9522 3.820827 741.4299       20.97470  733.7791       
23.88863  767.1768       43.82292  268.5293 4.374698 274.3193 7.855855 
-5.789978      8.991799 
1 1 1 -3  29 6  o 289.1127 4.583343 850.7305       26.94641  824.2147       
32.25990  911.9318       49.01065  284.5030 5.576025 299.0176 8.060133 
-14.51468      9.800908 
1 1 1 -3  29 7  f 188.7692 4.864174 362.7803       18.67204  373.7970       
22.88221  340.8260       32.30219  191.5575 5.874182 182.7102 8.693963 
8.847305       10.49243 
1 1 1 -3  29 8  o 55.80115 11.07428 33.01267       12.12291  28.80724       
17.16804  37.19502       17.12084  52.32036 15.22015 58.93628 14.40655 
-6.615921      20.95713 
1 1 1 -3  29 9  o 94.71153 6.769386 91.98552       12.95185  85.52953       
18.18586  98.63069       18.45038  90.83448 10.01165 97.72229 9.400525 
-6.887810      13.73328 
1 1 1 -3  29 10 o 116.5299 6.010484 138.8833       14.19438  133.9877       
19.87364  143.9812       20.28031  114.0936 8.629543 118.3174 8.485317 
-4.223778      12.10246 
1 1 1 -3  29 11 o 249.1065 4.401778 632.2354       22.29794  614.9299       
31.19442  650.3155       31.88501  245.4192 6.250531 252.3880 6.212501 
-6.968735      8.812736 
1 1 1 -3  29 12 o 166.7545 5.983150 283.9684       20.28892  332.2353       
39.12282  266.2119       23.72918  179.1851 10.78713 161.2948 7.234541 
17.89032       12.98848 
1 1 1 -3  29 13 o 173.4052 5.033814 306.8039       17.75050  320.5179       
24.85358  292.5252       25.36008  176.9666 6.906312 168.9840 7.379953 
7.982620       10.10747 
1 1 1 -3  29 14 o 90.17194 7.913808 84.09142       14.36463  89.19366       
20.06158  78.72336       20.57757  92.21243 10.91001 86.25334 12.06182 
5.959091       16.26394 
1 1 1 -3  29 15 o 190.7738 5.163258 371.7595       20.03060  376.7441       
27.34044  365.9838       29.42993  191.6760 7.014331 188.7635 7.666900 
2.912506       10.39145 
1 1 1 -3  29 16 o 54.86226 13.09430 32.83109       14.40572  26.12369       
20.54431  39.31905       20.20544  50.44067 16.95296 59.66827 16.22458 
-9.227592      23.46572 
1 1 1 -3  29 17 o 40.77746 14.82506 15.01496       15.90390  7.112502       
22.37794  23.07991       22.60684  40.58886 16.74362 49.17321 17.70514 
-8.584351      24.36844 
1 1 1 -3  29 18 f 178.7050 7.063775 328.4803       25.66994  287.0425       
44.27702  349.4600       31.50502  164.1586 13.38006 183.8778 8.425564 
-19.71922      15.81189 
1 1 1 -3  29 19 o 132.0153 9.786261 182.9247       26.08489  169.5428       
38.54336  194.2333       35.43196  124.1437 15.61306 134.4210 13.12979 
-10.27731      20.39997 
1 1 1 -3  29 20 o 46.73480 15.70855 23.54738       17.63898  41.08379       
25.28087  6.912177       24.62271  59.35296 18.73285 41.02379 17.28796 
18.32917       25.49104 
1 1 1 -3  29 21 o 29.98001 13.38667 -3.727193      16.63975  -20.03706      
23.10127  13.85894       23.98809  30.31016 14.31084 42.79216 17.45657 
-12.48200      22.57282 
1 1 1 -3  29 22 o 78.07108 11.34575 68.44534       17.48529  66.88613       
25.42569  69.84441       24.08464  72.72681 17.42123 75.39583 16.19207 
-2.669022      23.78408 
1 1 1 -3  30 1  o 342.3205 3.902317 1192.282       27.16482  1160.780       
37.82464  1225.837       39.03780  337.6554 5.508707 346.9865 5.532498 
-9.331085      7.807329 
1 1 1 -3  30 2  o 198.4810 3.612302 400.7827       14.57990  397.3676       
16.27405  414.6712       32.81849  197.6190 4.049632 201.6643 8.002729 
-4.045349      8.969013 
1 1 1 -3  30 3  o 310.8333 3.835284 983.0250       24.24244  986.5979       
27.54215  970.7366       51.07826  311.3681 4.349831 308.5259 8.141287 
2.842163       9.230470 
1 1 1 -3  30 4  o 300.4876 3.839770 918.7089       23.46298  912.5220       
26.57433  940.5859       49.97174  299.4436 4.364111 303.6798 8.092025 
-4.236145      9.193820 
1 1 1 -3  30 5  o 176.9895 3.976778 318.7624       14.31299  307.7056       
16.11933  359.9677       31.11784  173.8708 4.558994 187.8393 8.146510 
-13.96849      9.335419 
1 1 1 -3  30 6  o 41.36082 11.46833 18.04279       9.982010  14.47786       
11.35592  30.15924       20.93556  38.37746 12.59484 54.27161 17.03546 
-15.89416      21.18577 
1 1 1 -3  30 7  o 163.7551 5.085067 273.1092       16.93335  265.4544       
20.67869  288.6905       29.50233  161.3717 6.301503 167.8735 8.671783 
-6.501740      10.71955 
1 1 1 -3  30 8  o 243.5813 4.198300 604.0644       20.79548  578.8974       
28.82260  631.3900       30.03322  238.2947 5.947951 248.8657 5.934519 
-10.57098      8.402181 
1 1 1 -3  30 9  o 140.8371 5.078345 202.1350       14.54422  213.5694       
20.26146  189.9799       20.89023  144.6279 6.889173 136.1400 7.575808 
8.487961       10.23980 
1 1 1 -3  30 10 o 243.5282 5.089973 604.6063       25.20672  596.0875       
30.16745  624.3107       45.88051  241.6610 6.138760 246.7375 9.144113 
-5.076553      11.01359 
1 1 1 -3  30 11 o 69.99919 9.223046 51.16396       12.80894  52.91135       
18.12146  49.41921       18.10769  70.34303 13.15190 67.83115 13.60094 
2.511879       18.91978 
1 1 1 -3  30 12 o 46.60509 15.77311 21.46140       17.78545  0.000000       
0.000000  21.46140       17.78545  ?        ?        46.60509 15.77311 
0.000000       15.77311 
1 1 1 -3  30 13 o 203.4951 4.773203 422.4879       19.75219  414.4723       
27.66590  430.8217       28.20967  201.2100 6.761513 205.1399 6.762329 
-3.929962      9.562800 
1 1 1 -3  30 14 o 125.3238 6.343742 161.1757       16.11439  164.6662       
22.42776  157.4507       23.16867  126.1484 8.797930 123.2106 9.315840 
2.937790       12.81360 
1 1 1 -3  30 15 o 160.9748 7.621760 266.3597       24.94967  266.3597       
24.94967  0.000000       0.000000  160.9748 7.621760 ?        ?        
0.000000       7.621760 
1 1 1 -3  30 16 o 42.30695 14.43951 17.78226       14.90634  25.81588       
20.84645  9.377039       21.32314  50.23690 17.07622 40.96346 16.55055 
9.273438       23.78062 
1 1 1 -3  30 17 o 49.13355 14.83458 26.10391       16.06650  12.54214       
22.04173  41.47790       23.46824  42.94875 17.00262 60.97067 17.81185 
-18.02192      24.62420 
1 1 1 -3  30 18 o 87.25012 12.77761 82.07521       21.99896  51.26789       
36.97790  98.95221       27.36925  67.33881 22.74366 95.18681 14.60595 
-27.84801      27.02976 
1 1 1 -3  30 19 o 163.7966 8.528723 279.7766       28.30977  277.8148       
41.71118  281.4521       38.54781  160.6993 12.87205 162.4955 11.74469 
-1.796219      17.42491 
1 1 1 -3  30 20 o 66.77477 13.29123 50.09224       17.41339  39.38537       
24.06574  61.85813       25.22785  57.81339 18.28033 72.27742 17.37816 
-14.46403      25.22243 
1 1 1 -3  30 21 o 44.44310 15.27203 22.19294       16.68009  29.03036       
23.61888  15.38975       23.55967  50.07301 18.08759 42.88195 17.37191 
7.191055       25.07876 
1 1 1 -3  31 1  o 209.2486 3.177533 445.4251       13.52085  466.8658       
17.68008  415.2209       20.98447  214.1900 4.059136 201.9454 5.109904 
12.24461       6.525926 
1 1 1 -3  31 2  o 152.9171 3.841943 237.9398       11.94699  231.0283       
13.27279  267.4428       27.42275  150.6642 4.332123 161.6739 8.369704 
-11.00974      9.424396 
1 1 1 -3  31 3  o 322.9043 3.896891 1061.015       25.58842  1042.976       
28.86797  1127.147       55.27494  320.1094 4.434721 332.3571 8.178467 
-12.24771      9.303444 
1 1 1 -3  31 4  o 342.8621 4.019516 1196.339       28.02494  1182.231       
31.81127  1245.247       59.22899  340.7875 4.590351 349.2773 8.338973 
-8.489807      9.518918 
1 1 1 -3  31 5  o 255.4969 3.832700 664.3251       19.91324  655.4209       
22.64656  694.6771       41.81182  253.7437 4.388900 260.8928 7.881078 
-7.149109      9.020744 
1 1 1 -3  31 6  o 406.7165 4.416574 1684.136       36.52824  1670.609       
41.85642  1727.354       74.81452  404.9933 5.082329 411.0619 8.950087 
-6.068573      10.29243 
1 1 1 -3  31 7  o 302.6776 4.732959 933.0962       29.13161  936.7839       
35.84541  925.9222       49.99586  303.1429 5.814798 301.0023 8.167945 
2.140564       10.02633 
1 1 1 -3  31 8  o 91.74580 6.717439 86.37939       12.44548  89.06243       
16.88320  83.18640       18.41789  92.82433 9.059694 89.45753 10.31335 
3.366791       13.72746 
1 1 1 -3  31 9  o 158.9881 4.833769 257.6202       15.62795  260.8340       
21.65216  254.1252       22.57950  159.8066 6.662775 157.6967 7.041097 
2.109863       9.693793 
1 1 1 -3  31 10 o 138.6477 6.324158 196.3661       17.83064  222.7094       
21.29733  134.6212       32.60548  147.5665 7.097186 112.8215 14.55087 
34.74499       16.18943 
1 1 1 -3  31 11 f 100.5333 6.868798 103.8792       13.95837  96.84795       
19.43116  111.3762       20.06430  96.45110 10.05477 103.5953 9.634703 
-7.144234      13.92573 
1 1 1 -3  31 12 o 219.4988 6.582678 493.0246       29.38232  0.000000       
0.000000  493.0246       29.38232  ?        ?        219.4988 6.582678 
0.000000       6.582678 
1 1 1 -3  31 13 o 79.98865 8.503782 66.54050       13.62009  54.13776       
18.75689  80.37450       19.80962  70.82485 13.51650 87.28291 11.43593 
-16.45805      17.70526 
1 1 1 -3  31 14 o 186.4495 5.058770 355.1203       19.18040  365.6708       
26.81480  344.0668       27.44659  188.8002 6.984266 183.0452 7.373585 
5.754990       10.15627 
1 1 1 -3  31 15 o 251.6512 4.839385 646.9886       24.76513  621.7523       
34.03500  675.3845       36.10276  246.1230 6.800207 256.4752 6.922192 
-10.35217      9.703585 
1 1 1 -3  31 16 o 28.22253 12.63758 -5.724245      14.94192  -29.94750      
20.41288  22.23545       21.93079  26.37708 12.72154 48.29736 17.43184 
-21.92029      21.58023 
1 1 1 -3  31 17 o 97.48027 11.58527 100.9849       22.51573  112.6845       
25.58580  60.82112       47.40579  102.6879 12.51124 73.13969 25.71111 
29.54817       28.59357 
1 1 1 -3  31 18 o 99.33636 9.369763 103.6405       18.70369  93.48815       
26.27807  114.0646       26.62741  92.30031 14.47653 102.7982 13.03022 
-10.49786      19.47708 
1 1 1 -3  31 19 o 67.81068 14.99573 52.15327       20.12950  31.64360       
26.30334  81.14299       31.27185  54.04339 19.13591 82.83388 18.97280 
-28.79049      26.94717 
1 1 1 -3  31 20 o 59.14446 14.30982 40.42666       17.02406  33.67587       
22.93438  48.71107       25.40623  53.63420 17.91252 63.09228 18.56162 
-9.458080      25.79520 
1 1 1 -3  31 21 o 104.8302 8.637559 117.8709       18.24928  99.58481       
25.52045  137.0062       26.10627  92.55737 13.99594 110.6981 11.77812 
-18.14069      18.29236 
1 1 1 -3  32 1  o 279.3586 3.753252 794.1954       21.32167  768.0277       
30.28370  819.9175       30.02476  274.5866 5.423481 283.7315 5.203798 
-9.144897      7.516227 
1 1 1 -3  32 2  o 276.9235 3.735070 780.4026       21.03342  772.9058       
23.68766  808.3442       45.73052  275.5565 4.227271 281.4001 7.991540 
-5.843597      9.040715 
1 1 1 -3  32 3  o 154.7937 3.922453 243.8684       12.34703  248.3617       
13.88238  226.8584       27.01026  156.1947 4.370650 148.7217 8.973083 
7.473053       9.980922 
1 1 1 -3  32 4  o 105.0961 4.810956 112.4795       10.28181  114.5640       
11.51691  104.2950       22.82119  105.9101 5.364962 100.2105 11.40185 
5.699577       12.60099 
1 1 1 -3  32 5  o 209.4925 3.846384 446.7121       16.38599  438.1512       
18.63675  475.8721       34.39559  207.4397 4.418013 215.8551 7.835903 
-8.415436      8.995566 
1 1 1 -3  32 6  o 176.0819 4.108328 315.6754       14.71063  316.6009       
16.85325  312.7138       30.14724  176.3029 4.700811 174.8679 8.477855 
1.434952       9.693897 
1 1 1 -3  32 7  f 116.5271 6.063519 138.8932       14.31860  141.1943       
17.67259  134.4965       24.42892  117.3145 7.446527 113.9438 10.66709 
3.370667       13.00913 
1 1 1 -3  32 8  o 33.22485 12.43272 8.621428       11.32343  -2.498821      
15.00293  23.34085       17.26092  30.04810 13.08972 47.94690 15.51588 
-17.89879      20.29983 
1 1 1 -3  32 9  o 168.3955 4.709581 289.0691       16.12740  273.2199       
22.12917  307.0226       23.55247  163.5044 6.655556 173.3203 6.682450 
-9.815903      9.431414 
1 1 1 -3  32 10 o 194.0408 5.439592 384.3218       21.46401  404.7465       
25.57280  335.6337       39.48325  198.9953 6.319521 179.9894 10.83789 
19.00591       12.54576 
1 1 1 -3  32 11 o 62.19279 10.63453 41.04889       12.96632  40.47833       
17.89038  41.68022       18.81915  60.96572 14.61942 61.80381 15.10217 
-0.8380852     21.01911 
1 1 1 -3  32 12 o 38.50248 15.49802 7.953539       18.62150  0.000000       
0.000000  7.953539       18.62150  ?        ?        38.50248 15.49802 
0.000000       15.49802 
1 1 1 -3  32 13 o 176.2598 5.109228 317.3676       18.31302  331.8040       
25.38188  301.6928       26.44806  179.8695 6.939288 171.3696 7.589423 
8.499924       10.28363 
1 1 1 -3  32 14 o 187.2173 5.126023 358.2577       19.51543  383.9909       
27.74020  333.0420       27.45990  193.3721 7.054471 179.9706 7.503191 
13.40155       10.29871 
1 1 1 -3  32 15 o 88.97851 8.511876 82.49868       15.21353  103.7936       
21.61616  61.59700       21.41562  99.19141 10.89603 74.95530 14.57486 
24.23611       18.19752 
1 1 1 -3  32 16 o 76.74209 10.54722 62.51450       16.02460  84.57919       
22.62168  40.29100       22.70295  88.64079 12.93054 60.02015 17.51468 
28.62063       21.77069 
1 1 1 -3  32 17 o 180.4915 7.108792 335.6184       26.09179  352.9870       
30.26682  285.3664       51.48261  184.7602 8.055768 161.6640 15.86454 
23.09621       17.79267 
1 1 1 -3  32 18 o 123.6413 7.906953 159.0861       19.77626  159.5911       
27.69924  158.5611       28.24445  122.4223 11.25238 121.8877 11.53227 
0.5346069      16.11240 
1 1 1 -3  32 19 o 114.9394 9.551487 140.1160       22.12276  117.7099       
27.34162  182.5952       37.64693  103.2903 13.32798 127.8911 14.74578 
-24.60082      19.87645 
1 1 1 -3  32 20 o 48.92088 15.26679 27.93374       16.84153  27.06734       
22.72541  28.98930       25.08390  49.02160 17.73689 50.56853 18.58271 
-1.546940      25.68880 
1 1 1 -3  32 21 o 37.99239 14.76717 13.78459       16.36883  5.299462       
22.82155  22.77483       23.49100  37.27516 16.19135 45.49622 17.68862 
-8.221066      23.98014 
1 1 1 -3  33 1  o 138.3913 4.144473 194.9848       11.66352  185.0702       
17.29123  203.2620       15.79900  134.7120 6.312015 141.2286 5.501176 
-6.516571      8.372841 
1 1 1 -3  33 2  o 278.6216 3.735250 790.1454       21.16342  785.5812       
24.00713  806.0598       44.82866  277.7727 4.250101 280.9104 7.847595 
-3.137695      8.924579 
1 1 1 -3  33 3  o 304.0783 3.848423 941.2159       23.79687  924.7800       
26.88117  1000.763       51.16576  301.3601 4.386427 312.9484 8.039986 
-11.58826      9.158718 
1 1 1 -3  33 4  o 114.4092 4.608395 133.3186       10.72166  133.9272       
12.11112  131.1136       23.05388  114.6434 5.194983 112.6372 10.17478 
2.006126       11.42427 
1 1 1 -3  33 5  o 236.2319 4.418075 568.3775       21.22380  567.4730       
25.60420  570.3638       37.94235  235.9519 5.336252 236.2041 7.899243 
-0.2521210     9.532765 
1 1 1 -3  33 6  o 229.4234 3.901319 535.9551       18.20122  544.2784       
20.96024  510.4350       36.70203  231.1465 4.459206 223.3613 8.080360 
7.785187       9.229124 
1 1 1 -3  33 7  o 147.8223 5.265074 222.8320       15.82690  224.7852       
19.35581  218.8915       27.49302  148.3633 6.415544 145.7642 9.323984 
2.599121       11.31795 
1 1 1 -3  33 8  o 255.1882 5.792677 664.7620       30.06016  664.7620       
30.06016  0.000000       0.000000  255.1882 5.792677 ?        ?        
0.000000       5.792677 
1 1 1 -3  33 9  o 125.7027 5.523432 161.3111       14.11904  158.0709       
19.19753  165.1287       20.83785  123.9740 7.652297 126.6294 8.135257 
-2.655479      11.16871 
1 1 1 -3  33 10 o 125.6214 6.722895 161.9772       17.11173  167.1322       
19.79684  146.7462       34.02869  127.4303 7.675437 117.5029 14.55244 
9.927345       16.45254 
1 1 1 -3  33 11 o 149.9588 5.216369 229.6610       15.90712  210.1799       
21.92528  251.3116       23.11389  142.9144 7.571276 156.5443 7.260797 
-13.62993      10.49016 
1 1 1 -3  33 12 o 41.60640 15.72110 13.96785       18.19810  0.000000       
0.000000  13.96785       18.19810  ?        ?        41.60640 15.72110 
0.000000       15.72110 
1 1 1 -3  33 13 o 113.9310 7.305572 133.8994       16.83653  149.5895       
21.38409  108.3103       27.30897  120.0663 8.820000 100.5403 13.71496 
19.52605       16.30621 
1 1 1 -3  33 14 o 109.8601 7.061337 124.5529       15.69176  139.2833       
21.79248  108.6920       22.61327  115.5808 9.352069 101.4604 11.14367 
14.12041       14.54794 
1 1 1 -3  33 15 o 38.50383 14.13082 13.14028       14.49809  -8.185500      
20.36303  35.06439       20.64671  32.52679 14.64385 56.28952 16.77662 
-23.76273      22.26875 
1 1 1 -3  33 16 o 47.22674 14.63610 24.04265       15.50913  35.87754       
22.23977  12.83851       21.63901  56.86205 17.51081 42.66304 16.86018 
14.19901       24.30832 
1 1 1 -3  33 17 o 45.15818 16.66634 18.99793       20.21004  17.63712       
22.60581  24.41649       45.10897  45.53586 17.44588 57.91782 23.81804 
-12.38195      29.52384 
1 1 1 -3  33 18 o 59.27180 14.85885 39.90490       17.87557  41.20447       
25.17180  38.58276       25.38937  59.61368 18.67434 57.99546 18.82276 
1.618225       26.51466 
1 1 1 -3  33 19 o 49.95224 16.70856 28.29440       19.95529  13.05216       
24.17003  60.93110       35.36761  42.88499 17.51175 68.87038 22.20191 
-25.98538      28.27696 
1 1 1 -3  33 20 o 65.03449 13.59651 49.32345       17.40266  34.46766       
23.56252  67.15307       25.81338  52.91130 18.15308 73.28712 17.55229 
-20.37583      25.25108 
1 1 1 -3  33 21 o 66.58701 12.86937 52.31719       16.79545  33.67796       
23.39012  72.15752       24.13197  50.89853 18.04268 75.63592 16.17906 
-24.73739      24.23428 
1 1 1 -3  34 1  o 338.7516 3.504909 1168.065       24.14402  1148.527       
30.85435  1198.925       38.77744  335.7831 4.518623 342.9082 5.560960 
-7.125153      7.165349 
1 1 1 -3  34 2  o 60.85070 6.912568 38.29291       8.401954  47.08465       
9.239468  -3.712948      20.19596  67.56910 6.817505 34.66357 15.14127 
32.90553       16.60531 
1 1 1 -3  34 3  o 159.2541 3.893222 258.2331       12.60815  263.7642       
14.10056  236.1746       28.15896  160.9252 4.308844 151.5453 9.180711 
9.379913       10.14158 
1 1 1 -3  34 4  o 103.7542 4.870401 109.7061       10.27595  116.5675       
11.56013  83.86843       22.43283  106.9261 5.316523 89.27261 12.71647 
17.65347       13.78311 
1 1 1 -3  34 5  o 25.10312 10.76893 -0.5268914     9.851458  -5.968244      
11.54305  14.06498       18.90264  24.35544 10.98957 42.49747 16.03100 
-18.14203      19.43614 
1 1 1 -3  34 6  o 129.1563 4.569273 170.0089       12.00091  178.4587       
13.70461  142.2212       24.85258  132.2894 5.094367 117.0809 10.55178 
15.20853       11.71720 
1 1 1 -3  34 7  o 209.1020 3.986956 445.4384       16.95318  441.0418       
19.37404  459.8069       35.02440  208.0026 4.580364 211.7947 8.132128 
-3.792160      9.333340 
1 1 1 -3  34 8  o 162.2308 4.027582 268.1915       13.28706  270.4638       
16.52841  264.0404       22.33965  162.8205 4.991954 160.6378 6.838757 
2.182739       8.466888 
1 1 1 -3  34 9  o 164.6271 4.855845 276.5405       16.25615  264.6832       
21.79451  291.4093       24.40579  160.8086 6.664791 168.6539 7.116148 
-7.845337      9.749821 
1 1 1 -3  34 10 o 101.8964 6.634036 106.7766       13.67144  126.1790       
18.79640  84.98244       19.92126  110.4424 8.433005 89.86450 11.14011 
20.57793       13.97203 
1 1 1 -3  34 11 o 167.2612 5.029334 285.7473       17.10634  274.0359       
23.18166  299.7487       25.34716  163.4567 6.974136 170.8839 7.294184 
-7.427170      10.09176 
1 1 1 -3  34 12 o 27.00152 11.91291 -3.285567      12.78711  -4.370058      
17.80611  -2.130710      18.37469  31.76907 14.03493 33.24973 14.48523 
-1.480659      20.16931 
1 1 1 -3  34 13 o 131.3727 6.704065 177.6441       17.85036  177.4079       
22.03999  178.0944       30.43246  130.8560 8.325878 129.9732 11.63733 
0.8828125      14.30901 
1 1 1 -3  34 14 o 68.38204 10.62238 49.87786       14.29187  60.35703       
20.30693  39.59289       20.11789  74.26899 13.95821 59.53998 16.18927 
14.72901       21.37578 
1 1 1 -3  34 15 o 75.61331 10.38492 60.75611       15.54643  57.68872       
21.90868  63.86716       22.06409  71.93640 15.43864 76.01359 14.80631 
-4.077187      21.39108 
1 1 1 -3  34 16 o 156.3531 6.167280 251.1858       19.60883  255.8134       
27.62613  246.4873       27.83722  156.7525 8.700900 153.7596 8.941527 
2.992935       12.47624 
1 1 1 -3  34 17 o 147.8412 8.211324 227.7056       24.58934  248.5170       
28.77737  171.4048       47.33230  153.9880 9.232554 121.3627 19.86635 
32.62527       21.90689 
1 1 1 -3  34 18 o 139.7396 7.319487 203.3443       20.72709  197.0849       
28.93023  209.9458       29.71040  135.8561 10.55465 140.2802 10.49098 
-4.424133      14.88158 
1 1 1 -3  34 19 o 49.53249 16.58808 28.40921       19.66878  40.60763       
24.01503  3.553720       34.28014  57.59248 18.26646 43.94390 19.44054 
13.64857       26.67580 
1 1 1 -3  34 20 o 49.82683 14.93591 30.17902       16.32994  12.45452       
22.79980  48.84891       23.39994  40.35537 16.79465 61.42853 17.74020 
-21.07315      24.42898 
1 1 1 -3  35 1  o 294.2171 3.363436 881.2315       20.12345  857.4031       
25.69586  919.0244       32.36083  290.0916 4.355887 300.1868 5.301231 
-10.09518      6.861254 
1 1 1 -3  35 2  o 88.36797 5.257389 79.91586       9.404838  77.08678       
10.39828  92.63531       22.04822  86.70614 5.933053 94.04367 11.78802 
-7.337532      13.19691 
1 1 1 -3  35 3  o 99.46582 6.335575 101.4445       12.74807  116.4533       
15.22430  66.23040       23.31963  106.4950 7.070211 78.46913 15.16283 
28.02584       16.73019 
1 1 1 -3  35 4  o 209.2352 3.756337 445.8575       15.98272  449.8549       
18.14951  432.0508       33.73064  210.1236 4.247553 205.3672 8.076848 
4.756332       9.125633 
1 1 1 -3  35 5  o 34.79530 11.66143 11.79423       9.720572  4.090614       
11.32518  33.34906       18.94394  29.82709 12.05800 55.70145 15.92520 
-25.87436      19.97517 
1 1 1 -3  35 6  o 98.74940 5.420855 99.82777       10.84399  105.8252       
12.44725  80.94158       22.08839  101.5981 6.052144 87.42651 12.80369 
14.17162       14.16202 
1 1 1 -3  35 7  o 284.9088 4.610386 827.8333       26.71127  839.8011       
32.53949  803.1063       46.77245  286.7601 5.580082 279.7043 8.223177 
7.055847       9.937704 
1 1 1 -3  35 8  f 48.11310 10.67695 24.86350       10.17340  18.97318       
11.62859  44.07919       21.00320  42.35849 12.58273 63.37511 16.22718 
-21.01662      20.53403 
1 1 1 -3  35 9  o 154.1406 5.912628 243.0035       18.53314  223.4122       
21.01613  311.5284       39.30479  147.6225 7.000818 172.8625 11.24245 
-25.24002      13.24402 
1 1 1 -3  35 10 o 225.0519 4.507360 516.8896       20.62796  478.0674       
27.66289  565.5155       30.95934  216.0553 6.296241 234.9362 6.480228 
-18.88092      9.035264 
1 1 1 -3  35 11 o 141.0600 5.577538 203.5656       15.99918  194.7751       
22.00586  213.4223       23.30228  137.3350 7.913124 143.7539 8.002986 
-6.418915      11.25457 
1 1 1 -3  35 12 o 199.7883 4.886340 407.9541       19.85204  374.4985       
26.82565  448.4595       29.51699  190.9287 6.909196 208.9214 6.947646 
-17.99269      9.798305 
1 1 1 -3  35 13 o 60.52216 12.54373 39.94708       14.93092  24.03560       
18.99878  65.64738       24.14568  48.24054 16.30237 76.79497 15.98167 
-28.55443      22.82939 
1 1 1 -3  35 14 o 141.2175 6.095633 204.7270       17.50487  195.7582       
24.35916  214.3044       25.17210  137.1228 8.781921 143.5385 8.664432 
-6.415741      12.33671 
1 1 1 -3  35 15 o 100.7174 8.287271 105.7661       16.82273  90.97729       
23.30094  121.8678       24.31320  91.76035 12.83883 107.0575 11.34062 
-15.29715      17.13024 
1 1 1 -3  35 16 o 61.15462 13.59867 41.57032       16.47375  45.99442       
22.58360  36.53906       24.08348  63.35643 17.12175 57.06063 18.31318 
6.295795       25.07044 
1 1 1 -3  35 17 o 74.76506 14.63848 62.93248       21.45942  51.93827       
24.48187  99.39420       44.58423  66.54098 17.76103 88.22672 24.14685 
-21.68575      29.97540 
1 1 1 -3  35 18 f 32.50171 14.19684 -0.4830923     17.75478  -31.77363      
24.95383  31.59827       25.26720  29.28045 14.10756 52.84303 18.75047 
-23.56258      23.46494 
1 1 1 -3  35 19 o 49.04339 15.49697 28.58710       17.29739  42.10847       
23.94939  13.84227       25.00943  57.77357 18.23271 42.59308 17.64637 
15.18048       25.37373 
1 1 1 -3  35 20 o 116.6562 11.43041 154.1288       26.76736  154.1288       
26.76736  0.000000       0.000000  116.6562 11.43041 ?        ?        
0.000000       11.43041 
1 1 1 -3  36 1  o 179.2930 3.276254 327.3004       11.94517  322.7950       
15.45324  333.9889       18.82846  177.9691 4.269958 180.9364 5.117260 
-2.967300      6.664749 
1 1 1 -3  36 2  o 56.47768 7.590330 33.24471       8.496756  28.95691       
9.243051  56.62664       21.58433  52.37656 9.002632 72.29745 15.16533 
-19.92089      17.63618 
1 1 1 -3  36 3  o 183.3721 3.755390 342.5201       14.00360  351.3156       
15.86458  311.4895       29.79842  185.6686 4.201831 174.2274 8.410566 
11.44116       9.401755 
1 1 1 -3  36 4  o 207.9371 3.809973 440.4901       16.11036  444.8333       
18.17666  424.5792       34.79024  208.9063 4.278694 203.3772 8.412087 
5.529083       9.437714 
1 1 1 -3  36 5  o 92.80077 6.250955 88.44213       11.72769  86.38247       
13.77213  93.87601       22.36961  91.51347 7.465611 94.43922 11.91315 
-2.925743      14.05910 
1 1 1 -3  36 6  o 98.26863 5.353664 98.90172       10.65803  98.10200       
12.10552  101.6587       22.47668  97.76096 6.120120 98.39650 11.44708 
-0.6355362     12.98043 
1 1 1 -3  36 7  o 144.7019 4.363868 213.5562       12.84096  218.6662       
14.68811  196.9861       26.44941  146.3600 4.935058 137.8713 9.491714 
8.488632       10.69801 
1 1 1 -3  36 8  o 50.09637 10.17452 26.88090       10.01132  24.35231       
11.35131  35.73417       21.24019  47.44838 11.81086 57.29998 17.00199 
-9.851597      20.70179 
1 1 1 -3  36 9  o 85.76056 6.904302 75.92754       11.93889  69.84035       
12.76741  118.3150       33.69095  82.06435 7.742115 104.1761 16.44952 
-22.11178      18.18040 
1 1 1 -3  36 10 o 150.2028 5.176082 230.6378       15.80995  211.9617       
21.21621  253.9584       23.70805  143.4313 7.298076 157.1669 7.417937 
-13.73563      10.40614 
1 1 1 -3  36 11 o 112.1266 7.423982 129.9267       16.83188  130.2919       
26.95982  129.6934       21.54731  110.8122 12.16413 111.4275 9.603108 
-0.6152649     15.49792 
1 1 1 -3  36 12 o 138.1973 5.702361 195.7076       16.02528  193.7597       
21.53934  198.1227       23.98350  136.8420 7.772431 138.1191 8.581457 
-1.277069      11.57809 
1 1 1 -3  36 13 o 148.1145 6.344875 225.4183       19.11051  229.7598       
24.15265  218.1498       31.25146  148.8688 8.007717 143.9391 10.75446 
4.929764       13.40828 
1 1 1 -3  36 14 f 37.68049 13.88529 12.62505       14.01898  20.07094       
19.68395  4.960533       19.97084  45.63049 16.50776 37.45872 15.66452 
8.171768       22.75705 
1 1 1 -3  36 15 o 37.59910 14.29001 11.62486       15.09116  10.26454       
21.14156  13.03804       21.54850  40.77639 16.47819 42.44672 16.80896 
-1.670330      23.53873 
1 1 1 -3  36 16 o 70.50528 12.10416 54.32273       16.72924  56.35357       
23.23255  52.13572       24.10923  69.99820 16.57718 66.96606 17.50732 
3.032135       24.11036 
1 1 1 -3  36 17 o 26.93819 12.56214 -13.38423      16.87845  4.156903       
23.96996  -30.63505      23.77077  39.22836 16.81236 28.70479 13.81476 
10.52357       21.76012 
1 1 1 -3  36 18 o 35.34209 15.07487 4.132836       19.10687  63.99594       
32.99456  -26.07077      23.43647  69.86203 21.29583 29.07938 13.92194 
40.78265       25.44274 
1 1 1 -3  36 19 f 56.93770 14.53763 39.26405       16.89082  66.64253       
24.39985  14.07135       23.40560  72.84871 16.81221 41.36436 17.09882 
31.48434       23.97957 
1 1 1 -3  36 20 o 70.93198 12.03319 58.96066       16.73666  58.40403       
24.12166  59.47739       23.24129  65.55813 17.68615 66.84589 17.04503 
-1.287758      24.56284 
1 1 1 -3  37 1  o 87.06919 5.236727 77.67578       9.228930  64.57380       
14.49656  86.60493       11.96744  78.67135 9.237208 91.78191 6.453028 
-13.11057      11.26799 
1 1 1 -3  37 2  o 157.7985 3.906137 253.7590       12.53435  262.5769       
14.15937  221.8215       26.94704  160.4739 4.338986 146.5258 9.088529 
13.94806       10.07115 
1 1 1 -3  37 3  o 184.0495 3.755426 345.1621       14.05546  349.9902       
15.92220  328.1173       29.91631  185.2793 4.225953 178.7198 8.231596 
6.559540       9.252992 
1 1 1 -3  37 4  o 105.5464 4.839691 113.6856       10.38754  111.4707       
11.65988  122.2052       22.86789  104.3123 5.516372 108.2083 10.52557 
-3.896019      11.88352 
1 1 1 -3  37 5  o 211.6258 4.420208 456.8262       19.02229  475.0600       
23.02608  417.6357       33.75765  215.6661 5.250332 201.5488 8.236457 
14.11726       9.767559 
1 1 1 -3  37 6  o 151.4187 5.090415 234.1687       15.67416  256.3243       
19.61425  195.0203       26.07274  158.2666 6.094401 137.1368 9.406198 
21.12976       11.20796 
1 1 1 -3  37 7  o 126.3287 4.720009 162.9323       12.12540  155.1562       
13.73107  190.4701       25.83974  123.1894 5.481252 135.4461 9.440487 
-12.25670      10.91636 
1 1 1 -3  37 8  o 147.3650 4.553970 221.7056       13.64696  228.3575       
15.65280  200.6263       27.86429  149.4749 5.149587 138.7943 9.938221 
10.68054       11.19314 
1 1 1 -3  37 9  o 71.02106 8.788208 52.86571       12.42132  52.86571       
12.42132  0.000000       0.000000  71.02106 8.788208 ?        ?        
0.000000       8.788208 
1 1 1 -3  37 10 o 75.70736 8.845534 60.06273       13.36127  83.56929       
18.04452  31.53108       19.87990  89.09915 10.13971 53.79635 16.55390 
35.30280       19.41250 
1 1 1 -3  37 11 o 89.17731 9.275599 83.38744       16.57471  78.08839       
25.51075  87.25834       21.80371  84.08222 15.49072 90.29134 12.18630 
-6.209122      19.70960 
1 1 1 -3  37 12 o 85.52068 8.556860 76.52176       14.68146  85.79794       
19.71774  64.98061       21.99363  89.81123 11.02802 76.69061 14.63671 
13.12062       18.32623 
1 1 1 -3  37 13 o 87.04419 9.661255 79.98287       16.81264  99.06676       
21.32784  48.65907       27.32441  96.46252 11.07339 64.94276 19.28719 
31.51977       22.23996 
1 1 1 -3  37 14 o 89.24434 8.823168 83.64005       15.80269  103.7666       
21.97210  62.07325       22.74468  98.62086 11.15193 74.27196 15.55758 
24.34890       19.14168 
1 1 1 -3  37 15 o 44.32759 14.74581 20.79711       15.54658  28.67370       
21.69456  12.48230       22.28991  51.43932 17.42043 42.41200 16.99672 
9.027325       24.33844 
1 1 1 -3  37 16 o 46.39343 15.22625 23.50210       16.59669  22.28658       
23.31171  24.75149       23.63415  47.70407 17.84111 49.19362 18.04372 
-1.489552      25.37481 
1 1 1 -3  37 17 o 108.9363 9.957561 127.2660       21.81461  100.4056       
37.68169  140.8060       26.75373  88.95396 21.14235 113.4989 11.76229 
-24.54496      24.19402 
1 1 1 -3  37 18 o 85.90508 12.08541 82.97951       20.52835  56.13226       
34.37130  97.86660       25.59476  64.05305 21.92596 91.86324 14.15587 
-27.81018      26.09859 
1 1 1 -3  37 19 o 69.80475 12.23741 56.72300       16.73774  56.65553       
24.66660  56.78059       22.78652  65.01501 18.02824 66.13725 16.88455 
-1.122238      24.70031 
1 1 1 -3  38 1  o 180.9495 3.284056 333.5438       12.08424  337.4009       
15.90616  328.2787       18.58401  181.8706 4.300820 179.2785 5.097531 
2.592133       6.669474 
1 1 1 -3  38 2  o 91.98502 5.143987 86.69408       9.583513  75.52138       
10.62277  135.5590       22.21556  85.68737 6.136984 114.1532 9.660793 
-28.46581      11.44524 
1 1 1 -3  38 3  o 85.09780 5.331270 74.28576       9.179155  86.65026       
10.35054  28.74643       19.86406  91.89877 5.564859 52.16162 16.62029 
39.73715       17.52717 
1 1 1 -3  38 4  o 85.97359 5.565294 75.88609       9.677619  76.67388       
10.93952  73.05016       20.75583  86.30772 6.275964 82.67422 12.75622 
3.633499       14.21650 
1 1 1 -3  38 5  o 23.31253 9.990328 -0.2660246     8.462534  -0.8715287     
9.524197  2.004776       18.44418  24.34335 10.51685 35.22441 14.90961 
-10.88106      18.24557 
1 1 1 -3  38 6  o 128.2165 5.479790 168.1412       14.28760  166.0055       
17.44462  172.4929       24.90184  127.0260 6.777814 128.7526 9.579525 
-1.726532      11.73482 
1 1 1 -3  38 7  o 160.0867 4.305692 261.5773       14.01683  268.0694       
16.01234  240.2915       28.99384  161.9759 4.861306 152.0591 9.422942 
9.916794       10.60302 
1 1 1 -3  38 8  o 45.12882 11.44371 22.10727       10.51713  18.47334       
11.65438  38.04845       24.40962  41.69367 12.64491 58.84798 18.38210 
-17.15431      22.31133 
1 1 1 -3  38 9  o 33.63880 12.02962 10.33164       10.41944  16.61205       
11.69267  -13.88634      22.96090  39.94083 12.75417 32.95258 15.11134 
6.988247       19.77426 
1 1 1 -3  38 10 o 109.0950 5.372683 121.8900       11.91921  116.0270       
14.26610  135.4440       21.69092  106.0352 6.649779 113.7792 9.460627 
-7.743996      11.56387 
1 1 1 -3  38 11 o 49.03168 14.44451 26.38239       15.37640  46.65129       
24.29207  12.83238       19.86183  63.94898 17.94727 41.48209 16.22679 
22.46688       24.19531 
1 1 1 -3  38 12 o 106.4990 7.074118 117.5052       15.23322  112.9407       
20.88036  122.6988       22.27306  103.4271 10.05488 107.7471 10.29048 
-4.319946      14.38731 
1 1 1 -3  38 13 o 67.95803 11.87943 50.25551       15.81909  44.16646       
20.21261  59.88083       25.41294  62.33751 15.89579 72.06302 17.51326 
-9.725506      23.65144 
1 1 1 -3  38 14 o 123.2017 7.001098 157.3123       17.46778  161.4651       
23.80143  152.4646       25.71585  123.8399 9.524311 119.8005 10.66740 
4.039429       14.30056 
1 1 1 -3  38 15 o 51.48746 14.49444 29.94040       15.81888  48.50367       
21.60133  8.472564       23.22990  64.73222 16.39283 40.84970 16.97232 
23.88252       23.59629 
1 1 1 -3  38 16 o 139.1768 6.860959 201.0473       19.41794  204.1747       
27.30761  197.8486       27.61724  138.5224 9.756540 136.1699 10.04441 
2.352478       14.00287 
1 1 1 -3  38 17 o 82.09103 12.71174 75.90256       20.53441  101.0002       
37.64789  65.27414       24.49955  87.84979 21.29554 73.45721 16.77005 
14.39259       27.10599 
1 1 1 -3  38 18 o 38.13764 15.56332 11.72227       19.07548  -14.68063      
32.40606  25.72144       23.59672  36.77925 17.23424 47.07529 17.87429 
-10.29605      24.82961 
1 1 1 -3  38 19 o 30.65467 13.34665 2.585294       15.57878  -18.41146      
23.31604  19.51852       20.93864  29.45516 14.04239 41.78660 16.56248 
-12.33144      21.71415 
1 1 1 -3  39 1  o 55.63040 7.748855 32.43397       8.527965  31.66559       
9.435654  35.86114       19.92745  54.73272 8.774018 57.09621 16.33661 
-2.363491      18.54369 
1 1 1 -3  39 2  o 100.7095 4.779759 103.5964       9.788762  100.5348       
10.88272  116.5690       22.40163  98.99924 5.426404 105.4009 10.59513 
-6.401649      11.90389 
1 1 1 -3  39 3  o 253.9304 3.808983 657.5438       19.66868  676.5308       
22.56865  597.5763       40.10841  257.4647 4.310588 240.7999 8.190828 
16.66483       9.255855 
1 1 1 -3  39 4  o 169.9255 4.532991 294.8372       15.66372  315.7548       
18.93708  249.5241       27.87200  175.7135 5.299762 155.1555 8.870657 
20.55804       10.33325 
1 1 1 -3  39 5  o 242.3371 3.856971 599.0172       19.00718  624.1719       
21.97966  524.4255       37.84919  247.2616 4.371324 225.4719 8.254916 
21.78969       9.340883 
1 1 1 -3  39 6  o 84.51207 7.309828 74.00903       12.43885  80.70779       
15.57645  62.21775       20.66579  87.91736 8.831918 75.54488 13.96673 
12.37248       16.52489 
1 1 1 -3  39 7  o 275.8562 4.022958 776.6340       22.56730  795.6234       
26.09326  720.2684       44.95530  279.0482 4.598304 264.0152 8.373375 
15.03305       9.552896 
1 1 1 -3  39 8  o 77.34429 7.977469 62.39478       12.36701  62.39478       
12.36701  0.000000       0.000000  77.34429 7.977469 ?        ?        
0.000000       7.977469 
1 1 1 -3  39 9  o 77.62738 7.215196 62.61405       11.25942  59.45439       
12.92446  72.56173       22.93260  75.28574 8.596175 81.27943 14.40183 
-5.993690      16.77220 
1 1 1 -3  39 10 o 126.3784 5.222249 163.6349       13.42090  156.9031       
15.45970  184.2278       27.03914  123.5697 6.152300 132.3648 10.12217 
-8.795059      11.84522 
1 1 1 -3  39 11 o 55.56991 16.85300 34.69490       20.70213  0.000000       
0.000000  34.69490       20.70213  ?        ?        55.56991 16.85300 
0.000000       16.85300 
1 1 1 -3  39 12 o 53.31122 13.35574 31.68422       14.44875  29.25995       
19.41442  34.69402       21.63226  51.46819 16.43447 55.48330 17.30046 
-4.015110      23.86205 
1 1 1 -3  39 13 o 38.30862 14.02085 13.56652       14.25939  -3.396358      
18.96163  35.64572       21.63304  32.74447 14.47363 55.99932 17.27447 
-23.25484      22.53649 
1 1 1 -3  39 14 o 80.28901 10.17082 68.96497       16.23359  81.87568       
21.93632  53.33439       24.13661  86.38399 12.88142 67.51738 17.45236 
18.86661       21.69138 
1 1 1 -3  39 15 o 45.26950 14.75208 22.53109       15.58937  9.949707       
21.47225  36.55504       22.66985  40.16975 16.46599 55.98172 17.74664 
-15.81198      24.20892 
1 1 1 -3  39 16 o 41.84016 15.30469 17.82312       16.98686  32.98547       
23.25013  0.4624580      24.87856  52.97119 18.03370 37.87428 16.66744 
15.09690       24.55643 
1 1 1 -3  39 17 o 41.37362 15.92762 17.00698       18.90076  -29.51403      
33.98450  37.84054       22.74250  35.05539 16.77816 54.88967 17.81460 
-19.83428      24.47175 
1 1 1 -3  39 18 o 35.85171 14.89384 9.533883       17.88538  26.19879       
31.98833  1.954778       21.57243  47.79250 19.89168 34.68882 15.38024 
13.10367       25.14420 
1 1 1 -3  39 19 o 66.69546 12.64203 54.03898       16.51853  66.75333       
24.53521  43.49777       22.34023  69.23186 17.43692 55.14253 17.63168 
14.08932       24.79763 
1 1 1 -3  40 1  o 34.84599 10.69213 12.71453       8.300309  8.016730       
9.127336  35.17012       19.95535  30.60123 11.21483 56.40059 16.40984 
-25.79936      19.87600 
1 1 1 -3  40 2  o 94.69243 4.967359 91.93008       9.531786  95.65298       
10.70808  77.72298       20.91819  96.51063 5.478718 85.14265 12.44947 
11.36797       13.60168 
1 1 1 -3  40 3  o 145.3080 4.084779 215.5076       12.07007  210.1933       
13.68423  234.1314       25.61721  143.4177 4.692086 150.3045 8.415051 
-6.886780      9.634768 
1 1 1 -3  40 4  o 130.7992 5.077140 175.0018       13.50441  180.3177       
15.92856  161.4146       25.46570  132.6306 5.905834 124.1158 10.17927 
8.514832       11.76845 
1 1 1 -3  40 5  o 142.3888 4.249025 207.0391       12.30315  198.8849       
13.89753  236.5858       26.45468  139.4572 4.900553 150.9532 8.654161 
-11.49599      9.945347 
1 1 1 -3  40 6  o 144.0063 5.317883 212.3398       15.57298  216.8977       
19.40297  204.0882       26.10696  145.2771 6.567795 139.9163 9.227449 
5.360825       11.32615 
1 1 1 -3  40 7  o 113.8983 5.208543 132.8350       12.06382  137.8072       
13.70424  115.7158       25.42858  115.7629 5.840325 104.0357 12.25459 
11.72718       13.57514 
1 1 1 -3  40 8  o 147.2452 5.306742 222.1524       15.88987  222.1524       
15.88987  0.000000       0.000000  147.2452 5.306742 ?        ?        
0.000000       5.306742 
1 1 1 -3  40 9  o 125.9611 5.213324 162.6046       13.35373  149.4905       
15.15920  208.0313       28.21387  120.4214 6.211593 140.7068 9.924050 
-20.28544      11.70772 
1 1 1 -3  40 10 o 94.83894 7.259361 93.47447       13.89396  104.1582       
16.91468  71.31332       24.36119  99.78271 8.414497 79.64543 15.59943 
20.13728       17.72417 
1 1 1 -3  40 11 o 96.28249 7.181305 96.37696       13.95939  91.55534       
17.90622  103.8476       22.28874  93.02719 9.603651 98.41132 11.34532 
-5.384132      14.86426 
1 1 1 -3  40 12 o 42.67846 14.03022 19.36608       14.08958  35.78262       
19.57192  1.706576       20.29934  55.98639 16.24053 35.92487 15.43613 
20.06152       22.40600 
1 1 1 -3  40 13 o 39.21102 14.51312 14.16599       15.34720  28.08668       
20.84849  -2.300346      22.67476  50.59083 17.07763 36.04667 15.88565 
14.54416       23.32380 
1 1 1 -3  40 14 o 60.61716 13.78662 41.65247       16.61066  37.97031       
22.12844  46.40542       25.14091  56.99744 17.45273 62.34986 18.49674 
-5.352421      25.43083 
1 1 1 -3  40 15 o 48.65444 14.80776 27.16144       15.96179  24.97245       
22.58386  29.34636       22.56291  48.25964 17.64775 50.86475 17.74591 
-2.605118      25.02719 
1 1 1 -3  40 16 o 141.3584 8.018033 211.5836       22.95351  292.0708       
29.54678  89.07595       36.45258  165.4798 8.812136 81.27966 21.66189 
84.20017       23.38571 
1 1 1 -3  40 17 o 69.51559 14.25122 58.17421       19.46932  50.98673       
34.28079  61.59638       23.65445  59.41205 21.74026 69.39252 16.91624 
-9.980469      27.54629 
1 1 1 -3  40 18 o 27.21557 12.53899 -6.414675      16.06327  7.698355       
24.24138  -17.46259      21.44802  37.51148 16.48146 28.21429 13.45560 
9.297188       21.27655 
1 1 1 -3  41 1  o 86.02180 5.670403 76.18137       9.863505  81.83125       
10.92171  51.19060       22.96998  89.09047 6.064568 67.28989 16.82968 
21.80058       17.88902 
1 1 1 -3  41 2  o 217.5409 4.335511 483.4979       19.17929  482.5916       
22.63840  485.8026       36.10074  217.1291 5.127153 216.7250 8.191352 
0.4040985      9.663640 
1 1 1 -3  41 3  o 145.6014 4.112506 216.4958       12.17653  218.3461       
13.87070  210.2790       25.42514  146.1305 4.667731 142.1210 8.841199 
4.009583       9.997725 
1 1 1 -3  41 4  o 169.9100 4.562290 295.1425       15.76352  290.6099       
18.51221  307.0972       30.06454  168.4151 5.405375 172.1279 8.589183 
-3.712814      10.14851 
1 1 1 -3  41 5  f 55.39828 8.411068 32.47559       9.177609  39.74198       
10.37778  6.397882       19.65982  61.36277 8.548855 37.97428 15.68207 
23.38849       17.86086 
1 1 1 -3  41 6  o 90.11060 7.135031 84.23588       12.96753  91.25314       
16.29627  72.12233       21.41117  93.37915 8.681372 81.28536 13.42165 
12.09379       15.98458 
1 1 1 -3  41 7  o 251.5456 4.655231 647.4416       23.81274  647.4416       
23.81274  0.000000       0.000000  251.5456 4.655231 ?        ?        
0.000000       4.655231 
1 1 1 -3  41 8  o 201.6983 4.800858 416.5861       19.69122  416.5861       
19.69122  0.000000       0.000000  201.6983 4.800858 ?        ?        
0.000000       4.800858 
1 1 1 -3  41 9  o 49.40823 11.24951 26.80252       11.04943  17.18001       
12.70090  56.75464       22.40804  40.49076 13.32135 70.59792 15.98069 
-30.10715      20.80483 
1 1 1 -3  41 10 o 208.6164 4.989198 446.3268       21.16560  463.1502       
25.75075  411.2921       37.16054  212.1200 5.969758 198.2230 9.218844 
13.89700       10.98295 
1 1 1 -3  41 11 o 121.6273 6.644124 153.2653       16.37094  152.3109       
20.01064  155.1971       28.46824  120.6618 8.204025 120.0388 11.81552 
0.6229324      14.38446 
1 1 1 -3  41 12 o 58.49308 12.77859 38.20208       14.77467  45.94577       
20.36082  29.58966       21.47257  63.08947 15.88149 51.60821 17.33179 
11.48126       23.50771 
1 1 1 -3  41 13 o 32.62344 13.48771 4.878651       14.56676  14.05037       
20.52713  -4.425395      20.67468  41.75883 16.44718 33.50959 14.94518 
8.249241       22.22314 
1 1 1 -3  41 14 o 125.6953 7.098122 164.9337       18.06901  172.1608       
25.98306  158.1657       25.14444  126.7287 10.16802 121.3686 10.28460 
5.360092       14.46243 
1 1 1 -3  41 15 o 50.64730 14.78390 30.17367       16.17332  17.19672       
23.39483  42.05314       22.38371  43.80202 17.46088 58.46508 17.47787 
-14.66306      24.70542 
1 1 1 -3  41 16 o 33.46182 14.42109 3.474676       17.82052  12.82021       
23.78301  -8.489623      26.90967  41.03423 17.12142 35.31541 16.25541 
5.718815       23.60892 
1 1 1 -3  41 17 o 44.95388 15.78529 25.20521       17.86643  6.149896       
34.44301  32.22003       20.89783  41.56683 18.84839 49.45343 17.08842 
-7.886604      25.44162 
1 1 1 -3  41 18 o 53.39854 16.64797 40.17556       20.03213  56.35194       
24.93835  10.75430       33.63237  61.39061 18.47002 40.71554 18.52496 
20.67507       26.15943 
1 1 1 -3  42 1  o 83.41135 5.856293 71.78489       9.870473  79.29492       
11.05962  42.38738       21.88137  87.60047 6.249438 61.04559 16.99861 
26.55489       18.11100 
1 1 1 -3  42 2  o 57.80634 7.875054 35.18468       9.016303  37.02888       
10.01361  27.28516       20.72465  59.14772 8.575399 50.59897 17.02710 
8.548752       19.06462 
1 1 1 -3  42 3  o 232.6720 3.844024 552.8130       18.18786  560.3958       
20.77565  527.9359       37.63072  234.1172 4.363851 225.6628 8.200326 
8.454391       9.289163 
1 1 1 -3  42 4  o 156.8900 4.741585 251.9414       15.12760  256.9689       
17.99025  239.8060       27.95067  158.2431 5.590634 151.4637 9.117183 
6.779434       10.69478 
1 1 1 -3  42 5  o 103.1573 5.199385 109.3591       10.87189  109.7686       
12.18493  107.7605       24.07626  103.2106 5.829447 100.1286 12.06755 
3.081985       13.40180 
1 1 1 -3  42 6  o 131.8954 4.646351 178.0856       12.46215  170.3024       
14.15609  204.8940       26.27233  128.8275 5.403603 139.7799 9.295777 
-10.95245      10.75223 
1 1 1 -3  42 7  o 102.5234 6.464151 108.7550       13.40777  108.7550       
13.40777  0.000000       0.000000  102.5234 6.464151 ?        ?        
0.000000       6.464151 
1 1 1 -3  42 8  o 26.98005 11.23897 2.282026       10.22425  5.208809       
11.72772  -6.988076      20.87184  30.48731 12.28952 32.99562 14.84303 
-2.508305      19.27039 
1 1 1 -3  42 9  o 301.2867 5.095740 931.7019       31.22041  937.4243       
38.59783  920.8731       53.09635  301.4663 6.296116 296.7843 8.797763 
4.681946       10.81858 
1 1 1 -3  42 10 o 33.47866 13.14413 8.062531       13.07124  26.31538       
16.13875  -26.74297      22.28581  48.50737 14.91330 28.41009 13.59476 
20.09728       20.17979 
1 1 1 -3  42 11 o 113.7834 7.023664 134.7004       16.17207  118.1053       
19.39717  172.5354       29.28836  105.6902 9.114223 126.5333 11.50834 
-20.84306      14.68030 
1 1 1 -3  42 12 o 122.3813 6.992236 155.9010       17.32914  148.2201       
23.61419  164.8644       25.50962  117.9353 9.939042 124.2816 10.18300 
-6.346260      14.22948 
1 1 1 -3  42 13 o 170.5061 5.830797 300.3091       20.21712  298.0512       
28.24176  302.6823       28.95421  168.5511 8.239650 169.7608 8.387312 
-1.209763      11.75750 
1 1 1 -3  42 14 o 71.58401 11.41857 56.87816       16.06333  65.53564       
23.42563  49.19440       22.06899  74.19742 15.99657 63.62802 16.80605 
10.56940       23.20202 
1 1 1 -3  42 15 o 137.0408 6.649115 196.5765       18.52956  207.9600       
27.97335  187.6767       24.73412  138.1717 10.02396 131.8560 9.283805 
6.315613       13.66268 
1 1 1 -3  42 16 o 73.32512 12.75522 63.25454       18.32854  97.99059       
24.66988  20.45861       27.38281  90.56226 13.83476 44.61418 18.47265 
45.94808       23.07899 
1 1 1 -3  42 17 o 78.81850 11.93047 73.75689       18.52411  120.0023       
36.01075  57.11651       21.60127  89.86205 20.19782 65.01382 16.35383 
24.84823       25.98846 
1 1 1 -3  42 18 o 87.17184 12.42207 93.81775       21.39734  113.8004       
26.08050  52.67036       37.42490  93.83415 14.10428 52.22287 21.60723 
41.61128       25.80317 
1 1 1 -3  43 1  o 74.22458 8.448852 58.00924       12.52530  60.96845       
15.24562  51.86395       21.96990  75.55371 10.18220 67.34225 16.23322 
8.211456       19.16232 
1 1 1 -3  43 2  o 259.5426 3.881674 688.2979       20.48704  690.7198       
23.38055  680.2892       42.51570  259.8077 4.425387 255.8820 8.170677 
3.925659       9.292148 
1 1 1 -3  43 3  o 41.65116 10.56461 18.97461       8.961693  13.36815       
9.940227  43.31836       20.71312  35.95508 11.78286 61.51285 16.29799 
-25.55777      20.11119 
1 1 1 -3  43 4  o 40.63881 11.66052 18.01119       10.13909  19.14994       
11.80692  14.81287       19.78714  41.99064 12.72570 42.20976 16.28351 
-0.2191162     20.66630 
1 1 1 -3  43 5  o 52.11240 9.108099 29.15489       9.300685  19.01758       
10.50477  65.92635       20.00694  41.66759 11.84018 77.34505 13.19363 
-35.67746      17.72743 
1 1 1 -3  43 6  o 49.35180 10.24011 26.55600       9.940106  30.30871       
10.99461  9.759824       23.26018  52.68927 10.62808 41.52927 17.09380 
11.16000       20.12844 
1 1 1 -3  43 7  o 200.8143 4.769465 413.4874       19.47672  413.4874       
19.47672  0.000000       0.000000  200.8143 4.769465 ?        ?        
0.000000       4.769465 
1 1 1 -3  43 8  o 91.74377 6.296023 87.28224       11.67504  96.27204       
13.62058  62.38337       22.66786  96.15302 7.014353 73.80199 15.59244 
22.35103       17.09752 
1 1 1 -3  43 9  o 58.33303 10.25158 36.98425       11.71683  32.74382       
13.47800  50.10373       23.70712  54.08450 12.50451 65.09033 17.52242 
-11.00583      21.52668 
1 1 1 -3  43 10 o 35.92805 13.51362 11.36622       13.41153  23.46607       
16.48179  -12.34686      23.07323  46.17102 15.17443 32.77937 15.07476 
13.39165       21.38953 
1 1 1 -3  43 11 o 67.70305 10.68935 49.93273       14.22830  50.98264       
17.62385  47.96753       24.11180  67.26321 13.35567 63.25416 17.92574 
4.009052       22.35410 
1 1 1 -3  43 12 o 160.8750 6.508689 268.4616       21.29284  247.2014       
26.65401  305.9601       35.39862  153.0337 8.599795 168.9361 10.35411 
-15.90247      13.45972 
1 1 1 -3  43 13 o 77.44424 10.59115 65.63564       16.24236  59.03500       
22.89023  72.32930       23.05095  70.14560 16.34935 78.80647 14.93041 
-8.660873      22.14088 
1 1 1 -3  43 14 o 37.34027 14.34047 13.01191       15.29716  32.96647       
22.46383  -4.242590      20.88882  51.86540 17.72580 32.85452 14.80777 
19.01088       23.09706 
1 1 1 -3  43 15 o 37.57653 14.14823 14.58929       14.70810  30.12258       
23.19683  4.145976       19.02024  49.02999 17.89230 34.25292 14.82993 
14.77707       23.23922 
1 1 1 -3  43 16 o 47.64958 15.72496 29.74249       17.69270  36.63162       
24.59562  22.35495       25.46978  50.89669 18.44663 43.75303 17.93392 
7.143658       25.72749 
1 1 1 -3  43 17 o 29.71600 13.06099 2.923793       15.23549  16.82360       
23.25955  -7.521560      20.16316  39.29464 16.69351 29.21856 13.66045 
10.07609       21.57038 
1 1 1 -3  44 1  o 30.34493 11.13423 8.138343       9.000447  10.02601       
9.886357  -1.000823      21.75336  32.69565 11.71514 35.83901 15.68288 
-3.143356      19.57542 
1 1 1 -3  44 2  o 63.35541 7.210605 42.10139       9.124317  41.72593       
10.25425  43.52896       19.99481  62.78297 8.229968 61.48149 15.88082 
1.301479       17.88666 
1 1 1 -3  44 3  o 41.48583 11.28060 18.94233       9.767519  18.56379       
11.43308  19.96506       18.79288  41.25613 12.52697 44.66040 16.13394 
-3.404274      20.42618 
1 1 1 -3  44 4  o 68.93818 6.979663 49.68831       9.649813  50.19764       
10.87317  47.79924       20.94004  69.03660 7.886604 64.30306 16.06118 
4.733536       17.89302 
1 1 1 -3  44 5  o 116.0822 6.118785 139.3749       14.39281  133.3760       
17.41141  152.3190       25.57608  113.0227 7.620078 119.3791 10.64723 
-6.356392      13.09310 
1 1 1 -3  44 6  o 203.7839 4.699909 425.9824       19.47649  425.9824       
19.47649  0.000000       0.000000  203.7839 4.699909 ?        ?        
0.000000       4.699909 
1 1 1 -3  44 7  o 56.30874 9.623528 34.29924       10.62365  33.13670       
11.96094  38.64352       23.12173  54.82811 11.10841 57.40298 17.88404 
-2.574875      21.05316 
1 1 1 -3  44 8  o 61.65565 9.494157 40.95815       11.52168  39.00453       
13.31276  46.78862       22.99847  59.43181 11.43041 62.75134 17.41062 
-3.319527      20.82748 
1 1 1 -3  44 9  o 47.10026 13.10238 25.04926       13.00692  24.23153       
15.97279  26.65883       22.40951  46.54861 14.91135 49.51436 17.64882 
-2.965755      23.10474 
1 1 1 -3  44 10 o 40.48152 13.25544 17.73394       12.58103  8.727316       
14.45968  45.79676       25.52367  34.71432 13.76221 61.42609 18.73164 
-26.71178      23.24377 
1 1 1 -3  44 11 o 119.1564 7.016020 148.3372       16.92540  145.2637       
20.87606  154.2327       28.91333  117.0008 8.839442 118.4224 12.18004 
-1.421608      15.04955 
1 1 1 -3  44 12 o 100.3684 8.969090 107.6702       18.11331  98.42996       
23.19922  122.0990       28.98984  93.86983 12.46134 103.4110 14.15744 
-9.541161      18.86049 
1 1 1 -3  44 13 o 99.36069 7.912303 104.9555       15.85458  96.79046       
18.14321  131.3334       32.61039  94.44804 9.578996 105.0380 15.75292 
-10.58997      18.43669 
1 1 1 -3  44 14 o 94.53563 8.526149 96.55682       16.21440  124.6347       
24.69747  75.28697       21.49573  104.8324 11.78980 79.79613 13.74298 
25.03625       18.10715 
1 1 1 -3  44 15 o 25.52231 11.76354 -6.614537      14.15726  -10.77274      
23.17158  -4.137763      17.88324  31.27118 14.62773 29.61280 13.48688 
1.658373       19.89639 
1 1 1 -3  44 16 f 46.41345 14.50548 28.52983       15.19749  39.66731       
23.31667  20.30366       20.03881  51.37403 18.03333 40.62439 16.17077 
10.74964       24.22178 
1 1 1 -3  44 17 o 26.70313 12.46158 -6.223163      16.65732  27.14021       
31.85471  -18.77946      19.54202  42.80484 18.84813 25.41386 12.30319 
17.39098       22.50823 
1 1 1 -3  45 1  o 33.60271 11.39440 11.47859       9.281568  8.325310       
10.21171  26.46059       22.25881  31.35186 11.79195 49.52258 17.59601 
-18.17072      21.18183 
1 1 1 -3  45 2  o 83.98595 5.935683 73.12692       10.07216  71.00069       
11.44328  80.43885       21.22076  82.47630 6.885890 85.41537 12.59525 
-2.939079      14.35464 
1 1 1 -3  45 3  o 78.09013 6.969331 63.74440       10.95092  55.25824       
12.51659  91.44213       22.61271  72.10066 8.713571 91.18172 12.52623 
-19.08106      15.25886 
1 1 1 -3  45 4  o 111.5194 5.027071 127.8208       11.40032  124.8475       
13.05217  137.3881       23.41275  109.8537 5.863943 113.3064 10.27292 
-3.452713      11.82873 
1 1 1 -3  45 5  o 35.85138 14.06374 9.860342       14.95232  9.860342       
14.95232  0.000000       0.000000  35.85138 14.06374 ?        ?        
0.000000       14.06374 
1 1 1 -3  45 6  o 87.20560 7.164864 79.59278       12.59351  79.59278       
12.59351  0.000000       0.000000  87.20560 7.164864 ?        ?        
0.000000       7.164864 
1 1 1 -3  45 7  o 114.9532 5.343347 136.1223       12.49067  129.1834       
14.35448  157.7591       25.34779  111.5152 6.356300 121.2150 10.38352 
-9.699806      12.17457 
1 1 1 -3  45 8  o 66.01134 8.916599 46.69366       11.66302  47.65210       
13.62377  44.06417       22.56578  66.07796 10.48933 60.59219 17.39868 
5.485775       20.31600 
1 1 1 -3  45 9  o 66.11161 10.60646 47.83916       13.77724  53.44392       
17.11582  37.52439       23.21928  68.98872 12.66703 56.04237 17.98111 
12.94635       21.99487 
1 1 1 -3  45 10 o 63.41232 10.23521 43.99454       12.74896  43.52823       
15.03209  45.18949       24.06326  62.14305 12.33053 60.69409 18.11663 
1.448959       21.91471 
1 1 1 -3  45 11 o 29.31281 12.51638 1.857646       13.19690  4.169832       
15.77967  -3.522989      24.07151  32.75744 13.82390 35.69016 16.00670 
-2.932716      21.14982 
1 1 1 -3  45 12 o 68.28793 12.88881 53.68888       17.24199  69.95798       
22.41427  30.10880       26.98456  76.78298 14.89256 50.68098 19.14525 
26.10201       24.25550 
1 1 1 -3  45 13 o 119.0663 6.860357 149.7163       16.54036  134.0681       
18.98074  199.1030       33.71986  111.6032 8.425548 131.6735 12.75301 
-20.07034      15.28493 
1 1 1 -3  45 14 o 34.54268 12.93401 12.35481       12.25874  6.714339       
15.85172  20.74719       19.33576  32.99140 13.88540 42.28239 16.15011 
-9.290997      21.29860 
1 1 1 -3  45 15 o 56.00882 13.47364 39.72469       15.15893  70.56118       
23.89702  18.96128       19.60923  71.64731 16.70888 40.09313 15.98478 
31.55418       23.12358 
1 1 1 -3  45 16 o 29.74623 12.98196 4.425453       14.81742  18.49352       
23.03870  -5.498939      19.35052  39.08776 16.61003 28.85871 13.45537 
10.22905       21.37616 
1 1 1 -3  46 1  o 83.19131 7.236912 72.61195       12.12089  72.61195       
12.12089  0.000000       0.000000  83.19131 7.236912 ?        ?        
0.000000       7.236912 
1 1 1 -3  46 2  o 73.41214 7.856435 56.97313       11.54651  56.97313       
11.54651  0.000000       0.000000  73.41214 7.856435 ?        ?        
0.000000       7.856435 
1 1 1 -3  46 3  o 24.98077 11.01845 -2.063591      10.93188  -2.063591      
10.93188  0.000000       0.000000  24.98077 11.01845 ?        ?        
0.000000       11.01845 
1 1 1 -3  46 4  o 21.30546 9.854675 -7.355540      10.06619  -7.355540      
10.06619  0.000000       0.000000  21.30546 9.854675 ?        ?        
0.000000       9.854675 
1 1 1 -3  46 5  o 206.2843 6.167258 440.6821       25.87079  440.6821       
25.87079  0.000000       0.000000  206.2843 6.167258 ?        ?        
0.000000       6.167258 
1 1 1 -3  46 6  o 55.43837 9.580276 33.47018       10.40976  31.61807       
11.69945  40.50880       22.80744  53.27485 11.15677 57.95315 17.71399 
-4.678307      20.93464 
1 1 1 -3  46 7  o 61.20160 9.105007 40.42365       10.98651  41.24837       
12.76112  38.06150       21.59671  61.22579 10.63541 56.32993 17.24067 
4.895859       20.25717 
1 1 1 -3  46 8  o 83.32222 7.289107 73.04819       12.22630  79.18699       
14.44279  57.52434       22.96726  86.34590 8.328729 69.26869 16.53428 
17.07721       18.51352 
1 1 1 -3  46 9  o 86.40192 8.371978 79.46421       14.52514  114.7525       
18.36873  20.57730       23.72868  103.7358 8.790274 45.75553 17.78110 
57.98024       19.83523 
1 1 1 -3  46 10 o 73.50844 9.092458 58.35903       13.30172  70.14827       
15.91510  31.03997       24.22698  80.22923 9.969920 51.24505 18.34151 
28.98418       20.87607 
1 1 1 -3  46 11 o 130.0260 6.104464 176.1441       16.14095  173.4135       
18.81960  183.7407       31.39009  128.2017 7.248503 127.8419 12.22346 
0.3598099      14.21104 
1 1 1 -3  46 12 o 39.71099 14.83846 16.80617       16.11825  28.03429       
20.74590  -0.2930756     25.60161  47.84549 16.98885 36.70495 16.48151 
11.14053       23.66984 
1 1 1 -3  46 13 o 42.17733 13.70743 21.47481       13.46303  24.67402       
15.62659  12.26142       26.51872  44.66013 14.78023 40.66635 17.55880 
3.993778       22.95140 
1 1 1 -3  46 14 o 98.18882 7.713648 105.0840       15.27789  94.35869       
17.22332  144.6773       33.09195  91.57470 9.381314 104.8742 16.02549 
-13.29952      18.56948 
1 1 1 -3  46 15 o 33.18063 13.61793 10.82132       14.70939  -7.757255      
22.91477  23.84209       19.18349  30.43125 14.33281 41.59342 16.03672 
-11.16217      21.50828 
1 1 1 -3  46 16 o 29.41159 12.79819 5.581376       14.30870  3.429725       
22.69904  7.000106       18.43196  32.48383 14.94372 32.00744 14.20282 
0.4763908      20.61637 
1 1 1 -3  47 1  o 96.29243 6.566520 96.83417       12.78144  96.83417       
12.78144  0.000000       0.000000  96.29243 6.566520 ?        ?        
0.000000       6.566520 
1 1 1 -3  47 2  o 63.33720 10.12312 43.86547       12.59935  43.86547       
12.59935  0.000000       0.000000  63.33720 10.12312 ?        ?        
0.000000       10.12312 
1 1 1 -3  47 3  o 115.8926 6.641773 140.1647       15.58752  140.1647       
15.58752  0.000000       0.000000  115.8926 6.641773 ?        ?        
0.000000       6.641773 
1 1 1 -3  47 4  o 67.32635 8.777390 48.67130       11.73132  48.67130       
11.73132  0.000000       0.000000  67.32635 8.777390 ?        ?        
0.000000       8.777390 
1 1 1 -3  47 5  o 35.23000 14.38657 7.855114       16.31390  7.855114       
16.31390  0.000000       0.000000  35.23000 14.38657 ?        ?        
0.000000       14.38657 
1 1 1 -3  47 6  o 76.08507 7.462139 61.17437       11.39695  62.95893       
13.04493  55.41967       23.42537  76.77573 8.497890 67.43608 17.06729 
9.339653       19.06585 
1 1 1 -3  47 7  o 40.82267 12.31953 18.74067       11.08240  21.11366       
12.90591  12.07788       21.62566  43.13493 13.34863 40.49802 16.55385 
2.636909       21.26537 
1 1 1 -3  47 8  o 37.56322 13.33545 14.65746       12.78206  33.18339       
16.10026  -16.92514      21.02164  52.98007 14.51496 29.20862 13.74815 
23.77145       19.99239 
1 1 1 -3  47 9  o 28.29974 12.36745 -0.3250076     13.48853  12.30876       
16.78354  -23.36934      22.66726  37.73231 14.86858 28.79748 13.76111 
8.934832       20.25939 
1 1 1 -3  47 10 o 65.47700 10.70995 47.96673       13.76712  39.18978       
16.27155  70.07934       25.82719  57.26100 14.07376 74.48698 17.37019 
-17.22598      22.35608 
1 1 1 -3  47 11 o 69.74847 10.23909 54.37216       14.09038  65.86346       
16.54277  24.00296       26.89306  76.39481 10.96279 46.49305 18.65627 
29.90176       21.63883 
1 1 1 -3  47 12 o 35.14122 13.38077 12.57512       13.24730  11.69556       
15.47498  14.98753       25.62846  35.58988 14.19672 41.33456 17.53989 
-5.744678      22.56534 
1 1 1 -3  47 13 f 71.90803 9.846750 58.91868       14.02039  46.33187       
15.93372  102.0896       29.50902  61.07901 13.21256 86.22738 17.42842 
-25.14837      21.87056 
1 1 1 -3  47 14 o 52.93022 12.99176 36.08625       13.87996  40.03041       
15.57243  20.84256       30.61426  54.95389 13.91953 41.52007 18.36980 
13.43383       23.04783 
1 1 1 -3  47 15 o 36.72963 14.08581 17.86566       14.74561  17.86566       
14.74561  0.000000       0.000000  36.72963 14.08581 ?        ?        
0.000000       14.08581 
1 1 1 -3  48 1  f 99.11208 6.623257 102.8524       13.27217  102.8524       
13.27217  0.000000       0.000000  99.11208 6.623257 ?        ?        
0.000000       6.623257 
1 1 1 -3  48 2  f 25.13725 11.27314 -3.696094      11.93766  -3.696094      
11.93766  0.000000       0.000000  25.13725 11.27314 ?        ?        
0.000000       11.27314 
1 1 1 -3  48 3  o 28.96815 11.73265 5.054478       10.74386  5.054478       
10.74386  0.000000       0.000000  28.96815 11.73265 ?        ?        
0.000000       11.73265 
1 1 1 -3  48 4  o 120.3994 6.000583 150.5137       14.69161  150.5137       
14.69161  0.000000       0.000000  120.3994 6.000583 ?        ?        
0.000000       6.000583 
1 1 1 -3  48 5  o 52.27968 10.85678 30.66099       11.16467  32.12592       
12.97426  26.48064       21.91693  52.94482 12.28750 48.18616 17.42100 
4.758663       21.31839 
1 1 1 -3  48 6  o 85.10992 6.954369 76.29241       11.93103  77.86268       
13.72241  71.42841       24.15136  85.52480 7.982450 77.05908 15.93826 
8.465714       17.82548 
1 1 1 -3  48 7  o 94.21998 6.598435 93.18800       12.56277  104.1997       
14.71063  63.52029       24.14598  99.29459 7.337381 71.67581 16.85009 
27.61877       18.37832 
1 1 1 -3  48 8  o 31.07750 12.75547 5.797583       12.90609  15.87637       
16.23969  -11.48099      21.26315  39.50094 14.86784 30.66866 14.23380 
8.832273       20.58285 
1 1 1 -3  48 9  o 81.07761 8.474264 71.01781       13.76541  69.18279       
15.95363  76.36461       27.23235  79.02641 10.16292 77.09277 17.73935 
1.933632       20.44430 
1 1 1 -3  48 10 o 65.33223 10.82560 48.48323       13.87881  55.73038       
16.23638  28.82153       26.74336  69.39508 11.93597 48.39042 18.85684 
21.00466       22.31699 
1 1 1 -3  48 11 f 63.45553 10.95954 46.45561       13.63076  49.03796       
15.85474  39.13887       26.68762  64.04266 12.62294 52.55967 19.18973 
11.48299       22.96920 
1 1 1 -3  48 12 o 73.09857 9.795123 60.85664       14.19412  48.59507       
16.09464  103.7716       30.11014  62.68703 13.04993 86.44385 17.72387 
-23.75682      22.00991 
1 1 1 -3  48 13 o 20.34748 9.879697 -16.83785      12.84592  -21.67562      
14.37300  2.368390       28.63823  20.65968 10.12191 35.73059 16.56036 
-15.07090      19.40873 
1 1 1 -3  48 14 o 21.91504 10.43779 -10.26801      12.81803  -8.838372      
14.25721  -16.29609      29.27600  23.65791 11.19220 30.73781 14.92242 
-7.079901      18.65326 
1 1 1 -3  48 15 o 40.58482 14.28722 24.74096       14.64201  24.74096       
14.64201  0.000000       0.000000  40.58482 14.28722 ?        ?        
0.000000       14.28722 
1 1 1 -3  49 1  o 38.44777 12.20826 16.56515       10.72475  15.58934       
12.02211  20.36845       23.73432  37.86437 12.96731 44.92456 17.68818 
-7.060192      21.93223 
1 1 1 -3  49 2  o 47.92081 11.58444 26.28349       11.16417  29.58054       
12.63784  14.56782       23.82282  50.55394 12.38972 42.19063 17.32484 
8.363312       21.29918 
1 1 1 -3  49 3  o 70.60710 7.856119 53.29617       11.08871  51.17298       
12.64616  60.35852       23.06424  68.50658 9.319570 69.97482 16.48052 
-1.468231      18.93309 
1 1 1 -3  49 4  o 25.76934 10.98522 1.371867       10.13528  -2.546843      
11.73667  12.86483       20.09968  25.33652 11.28311 39.57961 16.04162 
-14.24309      19.61229 
1 1 1 -3  49 5  o 61.95024 9.183671 41.97554       11.21902  48.13224       
13.23947  26.29434       21.12936  65.90229 10.20932 47.37984 17.10887 
18.52245       19.92344 
1 1 1 -3  49 6  o 44.67122 12.02929 23.13654       11.17097  25.50908       
12.84122  15.75440       22.65119  46.56372 13.04194 41.91076 17.01437 
4.652954       21.43784 
1 1 1 -3  49 7  o 27.74522 11.75191 2.621156       11.47149  -0.7196110     
13.26118  12.55318       22.86536  27.63616 12.16520 40.28881 16.79721 
-12.65265      20.73978 
1 1 1 -3  49 8  o 29.26187 12.49972 2.821907       13.17150  1.261571       
16.43001  5.628345       22.03466  31.12552 13.62468 36.63326 15.91114 
-5.507740      20.94747 
1 1 1 -3  49 9  o 37.73920 13.35889 16.06523       12.81806  8.861649       
14.97358  35.82257       24.79794  33.74989 13.78262 51.49833 18.54321 
-17.74844      23.10436 
1 1 1 -3  49 10 o 88.89729 8.813709 87.22657       15.72305  100.1097       
19.33265  62.05685       27.02212  93.99850 10.28156 65.31509 19.12212 
28.68341       21.71096 
1 1 1 -3  49 11 o 30.56095 12.62464 7.090561       12.74708  11.96063       
14.64048  -8.169627      25.91600  34.55612 13.80091 32.78725 15.37911 
1.768871       20.66354 
1 1 1 -3  49 12 f 37.36913 13.48866 17.60056       13.13164  16.17895       
14.77797  22.93573       28.62852  36.53888 14.07887 41.82064 18.15020 
-5.281757      22.97051 
1 1 1 -3  49 13 o 79.13575 8.970716 72.68472       14.18111  57.56298       
15.57466  146.0228       34.29906  67.50220 11.77437 96.66082 18.11500 
-29.15862      21.60530 
1 1 1 -3  49 14 o 31.28592 12.72835 11.40706       12.70999  6.511240       
13.99400  34.47300       30.37490  29.02016 12.64192 41.61709 18.36098 
-12.59693      22.29224 
1 1 1 -3  50 1  o 75.64173 8.435006 61.88766       12.75377  63.67497       
14.72165  56.51077       25.53425  75.99934 9.750528 65.33795 18.42272 
10.66139       20.84393 
1 1 1 -3  50 2  o 71.98129 8.740338 56.33863       12.53133  51.71525       
14.52052  69.83082       24.80524  67.74570 10.91072 74.40990 16.79189 
-6.664200      20.02526 
1 1 1 -3  50 3  o 69.46844 8.234164 52.16329       11.40569  44.92771       
12.90136  78.05431       24.40469  63.33056 10.37729 79.82677 15.59322 
-16.49622      18.73064 
1 1 1 -3  50 4  o 98.76058 7.840449 104.3941       15.61669  111.4179       
19.90018  93.13448       25.19591  100.6319 9.850878 88.18385 14.55851 
12.44809       17.57811 
1 1 1 -3  50 5  o 33.74158 12.42164 11.50705       11.21539  9.914040       
13.00014  16.14337       22.17821  33.52747 13.12440 41.40133 16.82531 
-7.873867      21.33872 
1 1 1 -3  50 6  o 67.98331 8.610065 50.50897       11.63631  54.28375       
13.33389  38.45112       23.83122  69.92504 9.632892 53.64548 18.25770 
16.27956       20.64306 
1 1 1 -3  50 7  o 101.8975 7.392251 111.1818       15.21341  111.1231       
18.27081  111.3143       27.47186  100.6513 9.022393 95.47758 14.61436 
5.173737       17.17507 
1 1 1 -3  50 8  o 119.2023 6.705596 151.1679       16.18846  167.0329       
19.88614  119.9991       27.87347  124.2571 7.911222 98.90041 14.27236 
25.35667       16.31832 
1 1 1 -3  50 9  o 29.92103 12.39413 6.168941       12.33431  10.60532       
14.39014  -6.115681      23.94593  33.88039 13.62870 32.59226 15.11896 
1.288132       20.35496 
1 1 1 -3  50 10 o 43.39142 14.25767 24.63702       14.55076  19.01765       
17.93762  35.44971       24.88215  39.49125 15.42829 48.48828 18.36811 
-8.997036      23.98791 
1 1 1 -3  50 11 o 59.31241 11.66290 43.52675       13.56572  38.21063       
15.31335  62.91092       29.24129  53.28551 13.96355 59.27914 20.22395 
-5.993633      24.57619 
1 1 1 -3  50 12 o 59.98495 11.36297 45.25156       13.35329  41.64913       
14.94682  59.49530       29.72098  55.27607 13.42970 54.22979 20.17184 
1.046284       24.23345 
1 1 1 -3  50 13 o 30.99033 12.77209 10.97322       13.00597  1.919119       
14.42104  50.43478       30.10656  27.06862 12.24218 47.09455 19.42337 
-20.02593      22.95949 
1 1 1 -3  51 1  o 33.43214 12.68837 10.96524       11.88731  -1.432424      
13.82051  46.21573       23.30434  27.53363 12.25401 58.30873 17.91982 
-30.77511      21.70900 
1 1 1 -3  51 2  o 45.97692 12.56561 25.31981       12.08338  27.45730       
13.83840  18.45963       24.79141  47.39378 13.62960 42.81297 17.63780 
4.580811       22.29031 
1 1 1 -3  51 3  o 29.12312 11.73689 6.186498       10.69402  9.734699       
12.33007  -4.585842      21.48407  32.75101 12.79242 32.25376 14.72558 
0.4972496      19.50612 
1 1 1 -3  51 4  o 55.09337 13.39062 37.03175       14.85548  13.51484       
18.82608  75.83837       24.18370  38.15644 15.50361 77.15485 15.94108 
-38.99840      22.23690 
1 1 1 -3  51 5  o 54.49548 11.25364 34.69763       12.05809  26.49600       
13.99484  58.33101       23.75641  46.23639 13.81944 65.55412 17.49509 
-19.31772      22.29473 
1 1 1 -3  51 6  o 68.35416 9.276451 52.25737       12.56121  50.14180       
14.72629  57.90740       24.06607  65.42823 11.48727 64.56242 17.77001 
0.8658142      21.15964 
1 1 1 -3  51 7  o 105.5436 7.296201 120.2131       15.56347  117.2913       
18.97964  126.2105       27.19216  102.5352 9.200450 101.5206 13.50680 
1.014679       16.34264 
1 1 1 -3  51 8  o 41.91623 13.17214 22.15721       12.51272  15.06046       
14.65970  41.20329       24.01587  36.49186 14.03285 52.29381 18.30477 
-15.80195      23.06481 
1 1 1 -3  51 9  o 103.3636 6.930530 115.9495       14.48318  100.1127       
16.48670  169.4871       30.31310  94.34125 8.691450 116.4373 13.02542 
-22.09609      15.65895 
1 1 1 -3  51 10 o 34.26430 13.71437 13.47472       14.49228  21.28795       
17.92723  -1.261213      24.61992  39.42972 15.41840 32.47221 15.15257 
6.957512       21.61776 
1 1 1 -3  51 11 o 35.24881 14.53019 15.85548       16.83735  23.12253       
21.60441  4.613263       26.87134  39.12936 16.32181 33.73830 15.77241 
5.391060       22.69737 
1 1 1 -3  51 12 o 34.37497 13.13861 16.38552       12.80238  13.04633       
14.32352  29.64935       28.54723  32.33564 13.37215 39.52308 17.59918 
-7.187431      22.10307 
1 1 1 -3  51 13 o 35.81128 13.38756 19.63620       13.12329  12.89296       
14.53514  49.37605       30.52490  31.45089 13.26978 43.45076 18.79962 
-11.99988      23.01114 
1 1 1 -3  52 1  o 30.60217 12.49837 7.201882       12.31464  13.08536       
14.23586  -10.28962      24.54597  35.45855 13.77449 31.89049 14.96123 
3.568054       20.33654 
1 1 1 -3  52 2  o 122.7722 6.201798 159.8336       15.43337  179.7317       
18.40473  112.6955       28.32757  129.4702 7.016697 93.82668 15.37979 
35.64350       16.90479 
1 1 1 -3  52 3  o 22.85148 10.48877 -5.065808      11.09665  -9.128436      
12.61397  8.839150       23.33637  22.87021 10.72805 37.20761 16.26361 
-14.33741      19.48323 
1 1 1 -3  52 4  o 71.02165 11.12020 59.05232       15.53334  35.68920       
19.25756  102.5594       26.27941  50.96720 16.37782 89.62245 14.94577 
-38.65525      22.17225 
1 1 1 -3  52 5  o 91.05161 7.210744 89.78003       13.24196  92.60192       
15.46779  82.03678       25.62241  91.49566 8.407407 77.52132 16.74314 
13.97433       18.73545 
1 1 1 -3  52 6  o 21.17932 10.18297 -14.43094      12.84007  -22.00738      
15.50972  2.073381       22.89127  21.82992 10.65650 33.91676 15.37395 
-12.08684      18.70613 
1 1 1 -3  52 7  o 41.40702 13.75165 22.39828       13.52299  34.44193       
16.27913  -4.415287      24.29011  50.11337 14.88799 32.28009 15.05883 
17.83328       21.17594 
1 1 1 -3  52 8  f 43.78997 13.23558 25.46622       12.78451  28.66504       
15.07770  17.28345       24.11521  45.42970 14.48063 38.60810 16.70701 
6.821598       22.10911 
1 1 1 -3  52 9  o 72.78873 9.355968 62.20479       13.52796  65.23752       
15.76787  53.74689       26.33220  72.81553 10.99085 54.03640 19.14501 
18.77913       22.07556 
1 1 1 -3  52 10 o 34.69835 13.86268 16.03635       14.77765  17.57921       
17.42755  12.08829       27.87820  35.77607 14.76886 35.34626 16.36701 
0.4298134      22.04537 
1 1 1 -3  52 11 o 27.45506 12.61341 1.580552       16.09809  -4.146821      
20.40300  11.02623       26.20191  27.78890 13.21665 33.49009 15.62898 
-5.701191      20.46814 
1 1 1 -3  52 12 o 26.28599 11.64893 4.768142       12.36034  2.584241       
13.59288  15.19857       29.70612  25.93668 11.79160 33.57364 15.96201 
-7.636955      19.84509 
1 1 1 -3  53 1  o 50.70981 14.58762 34.69771       15.85000  41.53707       
20.26397  23.91892       25.43909  53.30587 16.76450 42.50397 17.71877 
10.80190       24.39269 
1 1 1 -3  53 2  o 41.32404 15.53389 22.58501       17.71614  34.63989       
25.16039  10.73112       24.94975  47.49807 18.35108 37.33773 16.54826 
10.16034       24.71046 
1 1 1 -3  53 3  o 114.6970 8.704517 147.6171       20.15102  155.5214       
28.73682  139.9703       28.26475  111.8600 12.86760 105.1230 13.53646 
6.737000       18.67648 
1 1 1 -3  53 4  o 63.32258 14.98560 54.40339       18.99638  60.76315       
28.48453  49.30912       25.49351  59.61411 19.96237 54.89384 18.87946 
4.720272       27.47600 
1 1 1 -3  53 5  o 39.01618 17.05389 16.89662       25.65855  0.000000       
0.000000  16.89662       25.65855  ?        ?        39.01618 17.05389 
0.000000       17.05389 
1 1 1 -3  53 6  o 62.13112 14.15368 52.19028       17.48320  30.94329       
23.74955  77.32547       25.83139  44.25628 17.60823 70.52463 17.96249 
-26.26835      25.15355 
1 1 1 -3  53 7  o 44.84417 13.90218 28.24388       13.99145  33.12978       
17.03487  18.11460       24.52764  46.94621 15.42683 37.96078 16.63106 
8.985432       22.68434 
1 1 1 -3  53 8  o 71.75346 10.81212 64.06348       15.28656  67.06181       
18.66138  57.94794       26.65152  69.86824 13.62388 54.39568 19.26198 
15.47256       23.59309 
1 1 1 -3  53 9  o 87.03909 9.168871 90.82801       15.98450  82.85990       
19.55280  106.8829       27.75462  78.00723 12.76785 80.13732 17.51993 
-2.130096      21.67870 
1 1 1 -3  53 10 o 21.65060 10.53259 -13.98346      14.78724  -13.56421      
17.81939  -14.91070      26.50033  23.81255 11.57919 27.67259 13.59545 
-3.860043      17.85816 
1 1 1 -3  53 11 o 35.57751 15.41621 23.84724       20.58802  34.24366       
31.85141  16.38643       26.98235  37.00782 17.25756 33.01805 15.55172 
3.989761       23.23100 
1 1 1 -3  54 1  o 54.31578 13.91037 40.54393       15.43174  36.74167       
20.04059  46.08241       24.18713  48.07630 16.72734 51.51448 18.33825 
-3.438183      24.82127 
1 1 1 -3  54 2  o 39.70484 13.40365 21.36368       12.84298  14.70480       
15.02590  39.41779       24.74161  34.88964 13.96461 47.61083 18.24891 
-12.72119      22.97898 
1 1 1 -3  54 3  o 46.99609 13.18550 29.95399       13.11381  45.25138       
15.67060  -5.791667      23.95458  57.85706 13.55628 30.62650 14.49457 
27.23055       19.84604 
1 1 1 -3  54 4  o 39.63200 15.44136 22.88591       17.93061  -22.77474      
25.84233  65.27518       24.89938  27.87352 13.63837 62.03075 18.40895 
-34.15723      22.91058 
1 1 1 -3  54 5  o 40.78136 14.01250 23.92398       14.04210  2.787128       
16.56754  77.83894       26.46016  29.12827 13.15241 67.24395 18.68140 
-38.11568      22.84689 
1 1 1 -3  54 6  o 23.54968 10.98921 -4.766652      12.95017  -12.41359      
15.33839  14.21585       24.16645  23.07181 11.10211 35.25880 15.90597 
-12.18699      19.39734 
1 1 1 -3  54 7  o 60.76558 10.37053 46.40051       12.35484  49.08651       
14.53481  39.40618       23.45468  60.27450 12.27537 44.70333 17.58921 
15.57117       21.44913 
1 1 1 -3  54 8  o 24.66073 11.20363 0.7987568      12.24359  -2.233251      
14.02278  10.52457       25.11493  24.64163 11.47746 32.67262 15.26556 
-8.030989      19.09894 
1 1 1 -3  54 9  o 22.44637 10.50632 -3.288241      11.98584  6.129179       
13.90645  -30.49393      23.63633  27.47281 12.25465 23.65320 11.82503 
3.819609       17.02962 
1 1 1 -3  54 10 o 31.56296 12.77111 15.23321       12.71654  16.24382       
14.50502  11.87642       26.43553  32.01106 13.36502 31.16070 14.88222 
0.8503551      20.00261 
1 1 1 -3  55 1  o 48.81591 12.89351 33.51761       12.98968  42.34552       
15.49208  12.61833       23.83671  53.67433 14.03485 34.13324 15.55541 
19.54110       20.95108 
1 1 1 -3  55 2  o 68.94514 10.01733 58.61151       13.63357  58.94380       
16.12062  57.77686       25.54909  66.17342 12.43630 53.48188 18.86786 
12.69154       22.59774 
1 1 1 -3  55 3  o 31.06446 13.78719 8.784287       17.37755  0.2165385      
24.89635  16.92426       24.26687  30.91510 14.67316 35.41872 15.96217 
-4.503624      21.68162 
1 1 1 -3  55 4  o 27.14853 12.00829 4.480000       13.07393  -7.979580      
15.55263  34.49382       24.13864  24.09009 11.48026 41.73534 17.31744 
-17.64524      20.77715 
1 1 1 -3  55 5  o 51.46711 12.97534 38.16392       13.57644  44.97818       
16.12197  21.54969       25.17381  53.95637 14.41818 36.06648 16.25556 
17.88989       21.72849 
1 1 1 -3  55 6  o 62.54388 10.02515 49.70840       12.31980  46.93973       
14.16787  58.29290       24.94750  57.66685 12.44655 51.16164 18.57268 
6.505211       22.35757 
1 1 1 -3  55 7  o 49.00341 12.22348 34.74429       12.14015  31.36092       
13.82868  46.11629       25.35270  43.84969 13.85633 43.27290 17.83288 
0.5767822      22.58340 
1 1 1 -3  55 8  o 27.19115 11.81771 7.977880       12.17105  6.244693       
13.71011  14.42347       26.43928  26.87165 12.06391 31.69764 15.06679 
-4.825991      19.30145 
1 1 1 -3  55 9  o 41.87641 14.00808 31.50162       14.02611  31.50162       
14.02611  0.000000       0.000000  41.87641 14.00808 ?        ?        
0.000000       14.00808 
1 1 1 -3  56 1  o 30.03578 11.79091 12.18011       10.51711  9.881078       
12.06454  19.45745       21.46468  28.73638 12.10512 33.96004 15.18106 
-5.223660      19.41644 
1 1 1 -3  56 2  o 28.93598 12.13183 10.22066       12.02549  3.270073       
14.22695  27.61255       22.50476  26.33374 12.00737 36.92082 16.05805 
-10.58708      20.05089 
1 1 1 -3  56 3  o 26.82930 12.42035 2.644500       16.04060  1.229653       
22.70373  4.054647       22.66598  28.73544 13.74278 29.40201 13.96822 
-0.6665688     19.59529 
1 1 1 -3  56 4  o 25.78620 11.56586 4.362186       12.57050  14.94357       
14.94498  -21.22968      23.24208  31.63602 13.40754 24.51299 12.16827 
7.123024       18.10604 
1 1 1 -3  56 5  o 64.85137 11.20149 57.96217       14.23811  57.96217       
14.23811  0.000000       0.000000  64.85137 11.20149 ?        ?        
0.000000       11.20149 
1 1 1 -3  56 6  o 26.77458 11.96649 7.015535       13.32953  7.015535       
13.32953  0.000000       0.000000  26.77458 11.96649 ?        ?        
0.000000       11.96649 
1 1 1 -3  56 7  o 85.75721 7.627525 88.83562       13.16280  87.27484       
14.88393  94.43756       28.19793  82.51496 9.016968 58.83691 19.86090 
23.67805       21.81195 
1 1 1 -3  56 8  o 19.52494 9.466658 -8.548162      11.68084  -14.32172      
13.34042  10.42254       24.18185  19.30904 9.517483 28.69688 13.84186 
-9.387842      16.79820 
1 1 1 -3  57 1  o 32.13338 12.65913 17.40384       12.16327  17.40384       
12.16327  0.000000       0.000000  32.13338 12.65913 ?        ?        
0.000000       12.65913 
1 1 1 -3  57 2  o 33.68865 13.00170 19.85950       12.61911  19.85950       
12.61911  0.000000       0.000000  33.68865 13.00170 ?        ?        
0.000000       13.00170 
1 1 1 -3  57 3  o 28.71366 12.52824 12.10424       13.79218  20.86737       
17.42837  -2.579563      22.56038  32.51443 14.13645 26.22821 12.81419 
6.286222       19.07990 
1 1 1 -3  57 4  o 54.52838 11.07041 42.79539       11.85626  37.45544       
13.62733  59.42700       24.04968  46.45399 13.57351 45.61150 17.85196 
0.8424911      22.42616 
1 1 1 -3  57 5  o 71.05662 8.849306 65.36918       12.50983  82.52592       
14.50865  15.65233       24.69796  79.25473 9.171695 29.66362 14.22539 
49.59111       16.92577 
1 1 1 -3  57 6  o 41.58043 12.75519 29.90981       11.81333  35.28931       
13.74125  14.67177       23.12704  43.27686 13.82711 28.92392 13.84283 
14.35293       19.56560 
1 1 1 -3  58 1  o 21.77487 10.02277 2.025102       10.23020  0.2466897      
11.89871  7.066047       20.03271  21.92474 10.32689 26.17252 12.61772 
-4.247778      16.30495 
1 1 1 -3  58 2  o 41.82966 12.01594 29.27474       10.76106  31.02583       
12.60203  24.56020       20.67791  40.37757 13.26869 30.89275 14.23071 
9.484821       19.45690 
1 1 1 -3  58 3  o 39.12025 13.73602 31.32938       13.52855  29.74598       
17.05338  34.01776       22.22083  34.47669 14.45057 33.25348 15.10197 
1.223209       20.90188 
1 1 1 -2  0  1  o 272.2210 4.466527 754.1591       24.71037  754.1591       
24.71037  754.1591       24.71037  272.2210 4.466527 272.2210 4.466527 
0.000000       0.000000 
1 1 1 -2  0  2  o 9.658878 6.215426 0.4628069E-02  2.804193  0.4628069E-02  
2.804193  0.4628069E-02  2.804193  9.658878 6.215426 9.658878 6.215426 
0.000000       0.000000 
1 1 1 -2  0  3  o 41.87009 6.112978 18.93347       4.880671  18.93347       
4.880671  18.93347       4.880671  41.87009 6.112978 41.87009 6.112978 
0.000000       0.000000 
1 1 1 -2  0  4  o 390.8984 5.625879 1554.940       44.69952  1554.940       
44.69952  1554.940       44.69952  390.8984 5.625879 390.8984 5.625879 
0.000000       0.000000 
1 1 1 -2  0  5  o 390.7538 5.693097 1553.923       45.21635  1553.923       
45.21635  1553.923       45.21635  390.7538 5.693097 390.7538 5.693097 
0.000000       0.000000 
1 1 1 -2  0  6  o 175.5866 4.666492 314.2302       16.63563  314.2302       
16.63563  314.2302       16.63563  175.5866 4.666492 175.5866 4.666492 
0.000000       0.000000 
1 1 1 -2  0  7  o 153.6576 5.005514 240.9374       15.60302  240.9374       
15.60302  240.9374       15.60302  153.6576 5.005514 153.6576 5.005514 
0.000000       0.000000 
1 1 1 -2  0  8  o 162.5562 7.471210 270.6450       24.57828  270.6450       
24.57828  270.6450       24.57828  162.5562 7.471210 162.5562 7.471210 
0.000000       0.000000 
1 1 1 -2  0  9  o 290.6788 5.444969 860.3851       32.16003  860.3851       
32.16003  860.3851       32.16003  290.6788 5.444969 290.6788 5.444969 
0.000000       0.000000 
1 1 1 -2  0  10 o 326.7656 5.763818 1087.091       38.27307  1087.091       
38.27307  1087.091       38.27307  326.7656 5.763818 326.7656 5.763818 
0.000000       0.000000 
1 1 1 -2  0  11 o 376.3558 6.241310 1441.928       47.73714  1441.928       
47.73714  1441.928       47.73714  376.3558 6.241310 376.3558 6.241310 
0.000000       0.000000 
1 1 1 -2  0  12 o 430.8264 6.721055 1889.520       58.85088  1889.520       
58.85088  1889.520       58.85088  430.8264 6.721055 430.8264 6.721055 
0.000000       0.000000 
1 1 1 -2  0  13 o 455.5068 7.050567 2112.636       65.27334  2112.636       
65.27334  2112.636       65.27334  455.5068 7.050567 455.5068 7.050567 
0.000000       0.000000 
1 1 1 -2  0  14 o 162.9467 10.54464 273.9308       34.60490  273.9308       
34.60490  273.9308       34.60490  162.9467 10.54464 162.9467 10.54464 
0.000000       0.000000 
1 1 1 -2  0  15 o 498.2122 7.468853 2529.671       75.63097  2529.671       
75.63097  2529.671       75.63097  498.2122 7.468853 498.2122 7.468853 
0.000000       0.000000 
1 1 1 -2  0  16 o 69.94954 16.68940 57.91653       20.59900  57.91653       
20.59900  57.91653       20.59900  69.94954 16.68940 69.94954 16.68940 
0.000000       0.000000 
1 1 1 -2  0  17 o 447.5725 7.175379 2044.523       65.26916  2044.523       
65.26916  2044.523       65.26916  447.5725 7.175379 447.5725 7.175379 
0.000000       0.000000 
1 1 1 -2  0  18 o 73.60972 16.31541 63.39412       21.35084  63.39412       
21.35084  63.39412       21.35084  73.60972 16.31541 73.60972 16.31541 
0.000000       0.000000 
1 1 1 -2  0  19 o 65.07050 18.97279 53.79395       21.79781  53.79395       
21.79781  53.79395       21.79781  65.07050 18.97279 65.07050 18.97279 
0.000000       0.000000 
1 1 1 -2  0  20 o 94.12518 14.84161 98.55557       26.29591  98.55557       
26.29591  98.55557       26.29591  94.12518 14.84161 94.12518 14.84161 
0.000000       0.000000 
1 1 1 -2  0  21 o 187.4541 8.955617 363.7356       33.96070  363.7356       
33.96070  363.7356       33.96070  187.4541 8.955617 187.4541 8.955617 
0.000000       0.000000 
1 1 1 -2  0  22 o 193.0682 9.006661 387.1281       35.18581  387.1281       
35.18581  387.1281       35.18581  193.0682 9.006661 193.0682 9.006661 
0.000000       0.000000 
1 1 1 -2  0  23 f 75.79590 20.83051 75.41222       27.76295  75.41222       
27.76295  75.41222       27.76295  75.79590 20.83051 75.79590 20.83051 
0.000000       0.000000 
1 1 1 -2  0  24 o 24.97864 16.96054 -6.891246      25.96819  -6.891246      
25.96819  -6.891246      25.96819  24.97864 16.96054 24.97864 16.96054 
0.000000       0.000000 
1 1 1 -2  1  1  o 431.5253 4.139164 1893.724       36.32205  1882.656       
51.14821  1904.983       51.58891  430.2218 5.846374 432.7649 5.862095 
-2.543121      8.279145 
1 1 1 -2  1  2  o 627.5565 5.535174 4005.690       70.63753  3932.021       
98.29043  4084.378       101.5841  621.6543 7.775187 633.5776 7.884504 
-11.92328      11.07334 
1 1 1 -2  1  3  o 148.3277 2.778625 223.7208       8.381152  263.8597       
12.36184  189.5744       11.40177  161.0790 3.773920 136.5323 4.106629 
24.54671       5.577353 
1 1 1 -2  1  4  o 179.5514 2.975290 327.8317       10.86349  352.4533       
15.76686  305.5789       14.98922  186.1611 4.164902 173.3396 4.252358 
12.82156       5.952223 
1 1 1 -2  1  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -2  1  6  o 463.2332 5.230594 2183.340       49.27222  2218.199       
61.08125  2118.399       83.37003  466.8336 6.434196 455.9838 8.991024 
10.84988       11.05610 
1 1 1 -2  1  7  o 302.0260 3.702030 927.9184       22.73713  954.7502       
32.67645  902.7330       31.65805  306.2906 5.246259 297.8310 5.227124 
8.459595       7.405813 
1 1 1 -2  1  8  o 263.3246 5.157259 705.6344       27.61607  685.6848       
38.49341  726.7922       39.64194  259.4633 7.295565 267.1276 7.297679 
-7.664215      10.31898 
1 1 1 -2  1  9  f 670.3682 6.054744 4573.531       82.53926  4489.952       
114.9097  4662.618       118.6357  663.9138 8.511255 676.5427 8.623208 
-12.62897      12.11615 
1 1 1 -2  1  10 o 238.8681 3.905534 580.3178       18.97099  540.8558       
26.01620  625.1280       27.72314  230.5689 5.548707 247.8830 5.499768 
-17.31410      7.812528 
1 1 1 -2  1  11 o 1021.461 8.712259 10621.60       180.9689  10773.99       
259.3591  10477.02       252.6309  1028.124 12.40522 1013.886 12.25310 
14.23804       17.43640 
1 1 1 -2  1  12 f 197.8890 6.295986 398.4263       25.33593  398.4263       
25.33593  0.000000       0.000000  197.8890 6.295986 ?        ?        
0.000000       6.295986 
1 1 1 -2  1  13 o 534.4287 5.416005 2905.787       58.85999  2972.316       
84.64496  2843.498       81.90390  540.3448 7.703333 528.5130 7.620746 
11.83179       10.83592 
1 1 1 -2  1  14 o 382.1707 6.645028 1486.860       51.64230  1524.458       
73.65626  1450.508       72.42578  386.7382 9.365721 377.2339 9.441283 
9.504242       13.29867 
1 1 1 -2  1  15 o 433.2689 4.972365 1910.562       43.80986  1902.390       
61.49592  1918.984       62.42759  432.1342 6.998037 434.0057 7.073424 
-1.871521      9.950169 
1 1 1 -2  1  16 o 451.4019 7.157418 2077.536       65.70087  0.000000       
0.000000  2077.536       65.70087  ?        ?        451.4019 7.157418 
0.000000       7.157418 
1 1 1 -2  1  17 o 110.8183 6.918533 125.7606       15.51316  113.5550       
21.71339  138.4868       22.17163  104.8005 10.32257 115.9675 9.484781 
-11.16697      14.01843 
1 1 1 -2  1  18 f 140.7513 9.255751 203.7038       26.34431  0.000000       
0.000000  203.7038       26.34431  ?        ?        140.7513 9.255751 
0.000000       9.255751 
1 1 1 -2  1  19 o 303.4596 4.818233 938.4128       29.73309  947.0445       
42.06823  929.7970       42.02969  304.5164 6.793477 301.7195 6.850169 
2.796844       9.647597 
1 1 1 -2  1  20 f 295.3048 5.891582 890.1120       35.37968  865.2531       
57.54542  905.2189       44.85978  290.1778 9.752034 297.4644 7.416017 
-7.286591      12.25151 
1 1 1 -2  1  21 o 111.9871 8.378608 129.3194       18.94230  112.9692       
26.49800  146.4066       27.08868  103.6126 12.85212 118.5338 11.37794 
-14.92117      17.16492 
1 1 1 -2  1  22 o 64.66261 14.79762 45.55625       19.03699  46.42841       
26.88743  44.67954       26.95743  65.09082 19.07953 64.01215 19.19065 
1.078674       27.06122 
1 1 1 -2  1  23 o 45.45486 16.26539 19.52565       19.05173  11.31785       
26.90017  27.78620       26.98645  45.47256 18.51060 53.58161 19.33731 
-8.109047      26.76890 
1 1 1 -2  1  24 o 125.0022 8.390710 162.9205       21.20519  151.2260       
29.92815  174.7101       30.04955  118.5837 12.60413 128.0209 11.67090 
-9.437279      17.17772 
1 1 1 -2  2  1  o 110.9656 2.540467 125.2073       5.732623  127.4763       
8.142856  122.9775       8.071915  111.9626 3.576451 109.9691 3.609563 
1.993538       5.081333 
1 1 1 -2  2  2  o 343.1715 3.593423 1197.589       25.07673  1227.629       
36.04853  1169.423       34.90673  347.4226 5.102441 339.0872 5.062283 
8.335449       7.187602 
1 1 1 -2  2  3  o 128.7891 2.789205 168.6634       7.304845  161.9830       
10.26411  175.5197       10.39842  126.2066 3.999336 131.3749 3.892276 
-5.168335      5.580726 
1 1 1 -2  2  4  o 552.5399 5.052959 3105.287       56.77548  3145.083       
81.09184  3067.023       79.51665  555.9697 7.172567 549.0296 7.122146 
6.940125       10.10795 
1 1 1 -2  2  5  o 624.0952 5.590904 3962.432       70.95522  3912.051       
99.19394  4015.223       101.5388  619.9479 7.868257 628.0624 7.950194 
-8.114563      11.18548 
1 1 1 -2  2  6  o 201.7903 3.803838 414.1756       15.60895  428.6205       
19.33374  387.1358       26.45212  205.2605 4.631900 195.0164 6.670185 
10.24403       8.120707 
1 1 1 -2  2  7  o 139.2504 3.629090 197.2457       10.27651  203.3123       
14.55322  191.2125       14.51322  141.3457 5.063196 137.0718 5.206718 
4.273926       7.262635 
1 1 1 -2  2  8  o 163.3453 5.219283 271.5285       17.33680  262.5397       
24.27797  280.8816       24.76516  160.5464 7.436360 166.0639 7.333551 
-5.517548      10.44416 
1 1 1 -2  2  9  o 281.2780 3.824641 804.7336       21.87650  800.6239       
30.78669  808.9252       31.09165  280.5078 5.397176 281.9573 5.422618 
-1.449493      7.650771 
1 1 1 -2  2  10 f 235.3323 3.898829 563.2635       18.65809  558.6832       
26.21018  567.9692       26.56648  234.3396 5.500129 236.2784 5.529152 
-1.938751      7.798906 
1 1 1 -2  2  11 o 411.8354 4.575957 1725.098       38.32279  1676.675       
53.31625  1776.857       55.12207  405.9470 6.458606 417.8976 6.486406 
-11.95062      9.153527 
1 1 1 -2  2  12 o 579.3510 5.603938 3414.527       66.02167  3380.668       
92.70140  3449.378       94.05070  576.3231 7.909861 582.1476 7.944700 
-5.824524      11.21089 
1 1 1 -2  2  13 o 146.0599 5.682460 217.0574       16.87791  239.4787       
24.22409  195.9044       23.52902  153.1745 7.802803 138.4520 8.396730 
14.72243       11.46250 
1 1 1 -2  2  14 o 205.6012 6.730274 430.3532       28.13907  429.5794       
40.57219  431.0705       39.06018  205.2747 9.719448 205.6515 9.340090 
-0.3767853     13.47980 
1 1 1 -2  2  15 o 448.9156 5.042424 2051.120       46.03153  2063.778       
65.38974  2038.686       64.81094  450.0688 7.144622 447.3270 7.124786 
2.741852       10.09000 
1 1 1 -2  2  16 o 53.62586 13.07157 30.68130       14.12503  30.67477       
20.07356  30.68770       19.87946  54.41739 16.61566 54.37988 16.51981 
0.3750229E-01  23.43042 
1 1 1 -2  2  17 o 299.1626 4.603141 911.3227       28.00354  910.0895       
39.56264  912.5609       39.64347  298.7411 6.512365 299.1459 6.516842 
-0.4047546     9.213041 
1 1 1 -2  2  18 o 167.3916 5.340344 285.5672       18.17835  304.1716       
25.77345  267.1505       25.64318  172.5780 7.344050 161.6894 7.799000 
10.88867       10.71258 
1 1 1 -2  2  19 o 96.25450 8.384835 95.54765       16.24828  80.21600       
22.56341  112.0619       23.41745  87.17525 13.13575 103.7570 11.28041 
-16.58179      17.31461 
1 1 1 -2  2  20 o 128.6380 8.356644 170.2674       21.74165  184.2018       
35.65923  162.0225       27.42983  132.6323 13.40523 124.9469 10.90487 
7.685349       17.28052 
1 1 1 -2  2  21 o 152.7230 6.756409 238.4966       20.98321  261.3990       
30.07721  216.7803       29.28800  159.2180 9.330265 144.7862 10.00887 
14.43185       13.68325 
1 1 1 -2  2  22 o 160.2284 6.790992 262.8437       22.12708  281.1608       
31.82730  245.7083       30.78363  164.9047 9.531719 154.0251 9.880382 
10.87955       13.72864 
1 1 1 -2  2  23 o 148.2260 7.467942 226.5051       22.43779  245.2882       
32.28341  208.9531       31.20758  153.2890 10.41843 141.2320 10.95179 
12.05704       15.11574 
1 1 1 -2  2  24 o 102.7351 9.769998 111.3160       20.16527  132.4916       
29.63667  93.06087       27.51713  110.4787 13.47057 91.48470 15.33382 
18.99405       20.41035 
1 1 1 -2  3  1  o 471.1350 4.412799 2257.402       42.27766  2191.052       
58.39624  2330.485       61.28780  464.1097 6.187467 478.6455 6.296637 
-14.53580      8.827931 
1 1 1 -2  3  2  o 846.6606 7.187480 7292.916       123.7478  7526.192       
180.0312  7083.983       170.3790  859.8232 10.29644 834.2059 10.04365 
25.61737       14.38373 
1 1 1 -2  3  3  o 345.7852 3.652264 1215.924       25.68148  1219.961       
36.39854  1211.922       36.24016  346.3299 5.168239 345.1871 5.162786 
1.142761       7.305139 
1 1 1 -2  3  4  o 255.2991 3.237189 662.8036       16.80617  632.3173       
23.23126  696.2767       24.34270  249.3399 4.581729 261.6468 4.575114 
-12.30685      6.474868 
1 1 1 -2  3  5  o 164.7787 3.135275 276.1233       10.50577  249.2596       
14.49610  305.8428       15.24716  156.5422 4.553741 173.4055 4.323889 
-16.86331      6.279536 
1 1 1 -2  3  6  o 158.6784 3.814302 256.1092       12.30791  235.9535       
14.76706  301.9670       22.27419  152.2899 4.768387 172.2405 6.359386 
-19.95061      7.948541 
1 1 1 -2  3  7  f 378.4484 4.086657 1457.080       31.45040  1520.786       
45.65563  1399.550       43.38626  386.5201 5.808591 370.7977 5.753920 
15.72247       8.176022 
1 1 1 -2  3  8  o 230.9265 5.103325 542.6619       23.96506  529.2634       
33.84552  556.1338       33.93808  227.9589 7.301181 233.6825 7.141832 
-5.723587      10.21337 
1 1 1 -2  3  9  o 866.9290 7.493997 7652.313       132.1139  7863.196       
191.5686  7461.049       182.4400  878.1530 10.72760 855.4564 10.48747 
22.69659       15.00228 
1 1 1 -2  3  10 o 212.7098 3.951043 460.1778       17.09034  505.4306       
24.87311  419.7070       23.52221  222.8925 5.487608 203.1086 5.695061 
19.78395       7.908701 
1 1 1 -2  3  11 o 802.9304 7.093669 6560.319       115.8245  6597.606       
164.7206  6523.854       162.8957  804.8829 10.06384 800.3785 10.00836 
4.504333       14.19324 
1 1 1 -2  3  12 o 397.0360 4.605491 1603.374       37.18410  1572.398       
51.92966  1635.969       53.26839  393.1132 6.496007 400.9795 6.532750 
-7.866302      9.212759 
1 1 1 -2  3  13 o 314.0850 4.549644 1003.472       29.05869  1006.861       
41.19597  1000.116       40.99517  314.5461 6.440491 313.4912 6.430665 
1.054901       9.101284 
1 1 1 -2  3  14 o 441.6170 6.973306 1985.704       62.62329  2014.361       
89.48661  1958.200       87.66685  444.4799 9.900438 438.2478 9.837036 
6.232178       13.95657 
1 1 1 -2  3  15 o 384.3878 4.789333 1503.707       37.43657  1549.209       
53.81758  1461.045       52.11029  389.9782 6.786289 378.7211 6.766319 
11.25711       9.583152 
1 1 1 -2  3  16 f 248.9836 4.663490 631.0766       23.61202  659.1359       
34.32307  605.8668       32.53362  254.3028 6.637179 243.8171 6.561707 
10.48572       9.333174 
1 1 1 -2  3  17 o 85.74300 8.616375 75.88328       14.82030  74.22223       
20.69169  77.63303       21.23708  84.10104 12.47719 86.04513 12.50307 
-1.944092      17.66372 
1 1 1 -2  3  18 o 153.1205 5.671259 239.0265       17.65892  260.5333       
24.86843  217.1523       25.07989  159.6858 7.658267 145.4587 8.515937 
14.22707       11.45296 
1 1 1 -2  3  19 o 147.1314 6.153539 220.9187       18.41118  221.0748       
25.60635  220.7518       26.49086  146.6757 8.622889 146.5117 8.934136 
0.1639709      12.41664 
1 1 1 -2  3  20 o 240.1263 5.369212 588.1827       26.21813  543.1981       
36.28827  637.3082       37.92172  230.3573 7.746628 249.5741 7.472004 
-19.21677      10.76295 
1 1 1 -2  3  21 o 242.8445 5.455675 601.8491       26.94190  614.1213       
38.74971  590.3649       37.48494  244.8396 7.782793 240.0813 7.677981 
4.758255       10.93267 
1 1 1 -2  3  22 o 139.1632 7.401838 199.0918       20.87137  162.6957       
29.38515  236.1465       29.64979  124.6883 11.72691 151.0259 9.705650 
-26.33766      15.22235 
1 1 1 -2  3  23 o 150.1741 7.415180 231.9212       22.64478  225.8654       
31.86050  238.1033       32.19118  146.9318 10.73750 150.9501 10.55342 
-4.018219      15.05552 
1 1 1 -2  3  24 o 111.6361 8.977465 130.6086       20.20794  146.0060       
29.36769  116.7621       27.84939  116.4580 12.60176 103.5680 13.54803 
12.89000       18.50280 
1 1 1 -2  4  1  o 616.4417 6.293249 3865.513       78.88934  3857.248       
96.32677  3882.348       137.4793  615.7117 7.693398 617.4922 10.94849 
-1.780518      13.38125 
1 1 1 -2  4  2  o 640.1967 5.634106 4168.820       73.34827  4265.291       
105.8162  4079.599       101.7628  647.4346 8.037201 633.1926 7.903176 
14.24200       11.27195 
1 1 1 -2  4  3  o 421.7263 4.130195 1808.746       35.42033  1862.193       
51.12041  1759.394       49.12311  427.8639 5.875397 415.8886 5.808412 
11.97525       8.261836 
1 1 1 -2  4  4  o 439.2523 4.286426 1962.313       38.28783  1916.175       
53.19379  2011.914       55.15374  433.9997 6.027262 444.7068 6.098876 
-10.70706      8.574624 
1 1 1 -2  4  5  f 377.5498 3.954221 1449.783       30.35894  1430.702       
42.53666  1469.594       43.34274  375.0002 5.578024 380.0618 5.608035 
-5.061615      7.909767 
1 1 1 -2  4  6  o 181.3204 3.810813 334.4195       14.05128  343.2058       
17.31839  317.4932       24.03734  183.6690 4.636819 176.5974 6.693462 
7.071640       8.142636 
1 1 1 -2  4  7  o 307.1116 3.733468 959.4542       23.31632  942.7335       
32.66254  976.8289       33.29508  304.3502 5.277461 309.8045 5.284950 
-5.454315      7.468754 
1 1 1 -2  4  8  o 103.8413 6.326211 110.1827       13.29503  89.20011       
18.44203  132.8874       19.18394  92.99879 9.904084 113.8944 8.340945 
-20.89557      12.94845 
1 1 1 -2  4  9  o 289.1192 3.853200 850.2224       22.65426  884.6819       
32.63781  818.1848       31.47001  294.8668 5.443068 283.5680 5.457431 
11.29886       7.707823 
1 1 1 -2  4  10 o 281.8385 3.991982 807.8904       22.87917  816.6210       
32.38872  799.1949       32.32345  283.3155 5.621757 280.2748 5.671295 
3.040649       7.985470 
1 1 1 -2  4  11 o 342.8969 4.297629 1195.849       29.96704  1247.226       
43.41368  1149.090       41.41643  350.1332 6.097360 336.0774 6.060130 
14.05579       8.596684 
1 1 1 -2  4  12 o 228.5611 4.359202 531.3316       20.26100  549.3713       
28.96618  514.0505       28.35049  232.3723 6.129929 224.7765 6.202378 
7.595749       8.720408 
1 1 1 -2  4  13 o 313.6562 4.579642 1000.748       29.21036  1047.474       
42.52386  959.0011       40.19390  320.8213 6.518056 306.9770 6.438769 
13.84427       9.162031 
1 1 1 -2  4  14 o 406.3161 6.802423 1680.866       56.20554  1718.214       
80.37631  1645.127       78.62585  410.5289 9.627931 401.7030 9.625181 
8.825897       13.61401 
1 1 1 -2  4  15 o 402.2018 4.838129 1646.372       39.57062  1678.203       
56.72458  1616.199       55.22803  405.8721 6.872751 398.3099 6.818472 
7.562225       9.681232 
1 1 1 -2  4  16 o 324.3255 6.608059 1072.114       43.58193  1072.114       
43.58193  0.000000       0.000000  324.3255 6.608059 ?        ?        
0.000000       6.608059 
1 1 1 -2  4  17 o 255.0966 4.721886 662.6960       24.49467  659.2585       
34.90650  666.0308       34.38087  254.2253 6.752057 255.5441 6.616062 
-1.318802      9.453176 
1 1 1 -2  4  18 o 158.9694 5.658371 257.6398       18.29180  249.5399       
25.22341  266.6248       26.56577  156.0439 7.975521 161.2873 8.125824 
-5.243454      11.38587 
1 1 1 -2  4  19 o 111.6312 7.462506 127.9594       16.84273  135.1039       
23.62861  120.5797       24.01452  114.2306 10.28213 107.6926 11.12608 
6.538078       15.14965 
1 1 1 -2  4  20 o 61.54333 13.97976 40.87567       17.09740  52.72054       
23.92034  28.50345       24.44701  69.52662 17.04907 53.89759 18.49070 
15.62903       25.15108 
1 1 1 -2  4  21 f 79.12554 11.83996 66.12563       18.46551  68.94893       
26.88567  63.60464       25.40550  79.47445 17.13968 76.34966 16.81757 
3.124794       24.01248 
1 1 1 -2  4  22 o 175.6025 9.385799 318.6331       33.39471  0.000000       
0.000000  318.6331       33.39471  ?        ?        175.6025 9.385799 
0.000000       9.385799 
1 1 1 -2  4  23 o 66.93900 14.84453 49.36864       19.67723  5.235114       
27.18271  97.95525       28.52113  43.06961 18.15803 94.81607 15.31416 
-51.74646      23.75369 
1 1 1 -2  4  24 o 86.85644 11.18529 80.81985       19.29699  62.53730       
27.09871  99.62807       27.48552  73.38906 18.23784 94.96384 14.70850 
-21.57478      23.42987 
1 1 1 -2  5  1  o 393.4141 4.514515 1574.087       36.11706  1660.691       
45.72984  1430.501       58.88254  404.0657 5.565398 374.9522 7.722523 
29.11346       9.518982 
1 1 1 -2  5  2  f 249.8638 3.081290 634.8619       15.65623  674.4344       
22.80176  599.5642       21.53501  257.5182 4.354207 242.8039 4.361520 
14.71425       6.162952 
1 1 1 -2  5  3  o 210.8327 2.981949 452.0112       12.78467  470.5159       
18.37149  434.6350       17.80245  215.0924 4.200181 206.7280 4.234762 
8.364365       5.964455 
1 1 1 -2  5  4  o 389.3438 3.973155 1541.687       31.45721  1459.505       
42.80745  1638.166       46.38163  378.7793 5.557528 401.2893 5.683777 
-22.51007      7.949305 
1 1 1 -2  5  5  o 182.9858 3.159405 340.5240       11.75639  347.2825       
16.78129  334.0099       16.47504  184.7734 4.466162 181.2081 4.470927 
3.565353       6.319477 
1 1 1 -2  5  6  o 498.4289 5.499785 2528.232       55.74429  2525.161       
68.24811  2534.387       96.62113  498.0143 6.739029 498.5886 9.529681 
-0.5742493     11.67173 
1 1 1 -2  5  7  o 465.4119 4.602102 2204.043       43.55571  2220.256       
61.88589  2188.129       61.31227  466.9456 6.517393 463.5564 6.504194 
3.389282       9.207657 
1 1 1 -2  5  8  o 238.9482 4.206769 580.8521       20.44108  627.3128       
25.84324  503.2109       33.40798  248.2883 5.118460 222.2795 7.390936 
26.00883       8.990249 
1 1 1 -2  5  9  o 645.9063 5.892327 4245.441       77.39408  4321.606       
111.0335  4173.467       107.9358  651.3963 8.382184 640.1461 8.291533 
11.25018       11.79027 
1 1 1 -2  5  10 o 165.7679 4.208858 279.4890       14.18783  253.0076       
19.63708  308.4091       20.52137  157.6904 6.123791 174.1076 5.796119 
-16.41721      8.431833 
1 1 1 -2  5  11 o 175.2785 4.411509 312.4743       15.72416  339.7679       
22.55688  286.6744       21.93096  182.7479 6.069811 167.8573 6.424893 
14.89056       8.838657 
1 1 1 -2  5  12 o 448.7976 4.875490 2048.803       44.49593  2045.828       
62.69027  2051.823       63.16592  448.3810 6.875456 449.0352 6.917528 
-0.6542664     9.753159 
1 1 1 -2  5  13 o 452.9678 5.001698 2087.347       46.07191  2097.153       
65.19939  2077.566       65.11176  453.9068 7.063590 451.7805 7.087296 
2.126312       10.00620 
1 1 1 -2  5  14 o 312.6288 6.398304 994.9686       40.67666  1005.988       
58.28999  984.5092       56.79030  314.1573 9.124212 310.7971 8.985574 
3.360260       12.80593 
1 1 1 -2  5  15 o 244.4965 6.635679 608.9383       32.99206  608.9383       
32.99206  0.000000       0.000000  244.4965 6.635679 ?        ?        
0.000000       6.635679 
1 1 1 -2  5  16 o 110.8117 7.105138 125.7203       15.92630  135.0349       
22.66267  116.6316       22.38626  114.5133 9.827255 106.2613 10.49712 
8.251984       14.37930 
1 1 1 -2  5  17 o 307.2334 4.676075 961.2567       29.21470  916.7049       
40.23113  1010.959       42.49326  299.7964 6.599094 314.8260 6.637400 
-15.02960      9.359653 
1 1 1 -2  5  18 o 168.0832 5.497650 287.9943       18.79113  304.5742       
26.96774  272.3469       26.19830  172.6435 7.681446 163.2317 7.892548 
9.411774       11.01349 
1 1 1 -2  5  19 o 161.0739 5.737985 264.6645       18.79472  230.4075       
26.19273  301.0236       26.98445  149.7346 8.638835 171.5526 7.735080 
-21.81795      11.59573 
1 1 1 -2  5  20 o 97.22949 9.024172 97.82926       17.63911  114.7179       
25.52001  82.38026       24.40807  104.6508 12.22210 87.98271 14.11975 
16.66814       18.67477 
1 1 1 -2  5  21 f 221.6546 5.668884 501.5871       25.55205  504.9183       
36.37444  498.3419       35.90231  221.9286 8.059937 220.4903 8.007213 
1.438248       11.36125 
1 1 1 -2  5  22 o 148.7007 7.245571 226.6648       21.90974  165.5740       
29.93026  297.1962       32.15984  125.7236 11.84660 169.5646 9.362964 
-43.84107      15.09990 
1 1 1 -2  5  23 o 177.6432 6.495627 323.7670       23.46504  336.7529       
33.83057  311.7277       32.57422  180.1114 9.268114 173.2690 9.278571 
6.842377       13.11449 
1 1 1 -2  5  24 o 105.3249 9.489492 116.8530       20.10650  108.6972       
29.72578  123.7313       27.29878  98.91859 15.26917 106.9360 12.80847 
-8.017372      19.92999 
1 1 1 -2  6  1  o 677.5022 6.825487 4669.845       94.03635  4683.134       
115.3518  4643.516       162.3666  678.3640 8.362002 675.1859 11.82556 
3.178162       14.48334 
1 1 1 -2  6  2  o 403.9301 3.985075 1659.297       32.73362  1672.709       
46.56456  1646.195       46.02483  405.5167 5.646707 402.2906 5.626014 
3.226074       7.971031 
1 1 1 -2  6  3  o 309.1759 3.455413 972.0903       21.72486  989.6082       
31.04379  955.2770       30.41311  311.9225 4.894141 306.4645 4.880105 
5.458008       6.911443 
1 1 1 -2  6  4  f 739.3375 6.410465 5561.717       96.37928  5561.782       
136.3111  5561.652       136.2907  739.0845 9.069547 739.0760 9.068296 
0.8483887E-02  12.82539 
1 1 1 -2  6  5  o 349.6910 3.799983 1243.754       27.02200  1231.582       
38.10186  1256.070       38.32892  347.9177 5.385403 351.3604 5.364415 
-3.442749      7.601284 
1 1 1 -2  6  6  o 185.7243 3.823328 350.8786       14.43982  362.3911       
17.97915  329.9580       24.23656  188.7251 4.684769 180.0206 6.620600 
8.704468       8.110450 
1 1 1 -2  6  7  o 202.9089 3.480822 418.8034       14.36264  424.0511       
20.37173  413.6169       20.25248  204.1330 4.907535 201.6047 4.939990 
2.528244       6.963289 
1 1 1 -2  6  8  o 357.6563 4.683830 1301.489       34.06579  1333.336       
42.22429  1242.112       57.65561  361.9459 5.736768 349.1711 8.119922 
12.77478       9.942014 
1 1 1 -2  6  9  o 489.4618 4.855725 2437.243       48.33084  2468.980       
68.88137  2406.466       67.83099  492.5016 6.877692 486.2279 6.860201 
6.273651       9.714165 
1 1 1 -2  6  10 o 465.8409 4.802272 2207.392       45.49208  2219.728       
64.45491  2195.146       64.21679  467.0427 6.786533 464.4487 6.799225 
2.594055       9.606586 
1 1 1 -2  6  11 o 236.4044 4.156064 568.3989       19.97971  538.4146       
27.49753  601.9338       29.07997  230.0524 5.877809 243.2444 5.878950 
-13.19191      8.313284 
1 1 1 -2  6  12 o 708.9260 6.480046 5113.808       93.41797  5222.279       
134.2788  5012.063       130.0486  716.1342 9.220653 701.5844 9.115374 
14.54974       12.96574 
1 1 1 -2  6  13 o 286.2271 4.555262 833.3864       26.51401  873.8563       
37.90726  794.6245       37.09877  293.0291 6.361509 279.4224 6.529003 
13.60672       9.115738 
1 1 1 -2  6  14 o 290.6025 6.408666 859.7448       37.87202  939.9635       
54.98046  787.3163       52.24261  303.6792 8.903113 277.9027 9.244441 
25.77646       12.83453 
1 1 1 -2  6  15 o 468.7591 5.126163 2236.747       48.86452  2155.242       
67.36026  2327.279       70.99245  459.8836 7.202850 477.8704 7.305511 
-17.98676      10.25922 
1 1 1 -2  6  16 o 60.01693 12.18429 38.25674       14.36264  32.17485       
19.96661  44.77823       20.67561  55.44012 16.49221 64.62566 15.85265 
-9.185547      22.87574 
1 1 1 -2  6  17 o 168.2460 5.434891 288.4352       18.59461  305.1687       
26.16103  271.3498       26.43461  172.8948 7.440833 162.9845 7.975818 
9.910294       10.90778 
1 1 1 -2  6  18 o 82.92994 9.433967 71.35173       15.62638  78.79479       
21.65588  63.26665       22.57055  86.55707 12.67924 76.88542 14.97448 
9.671646       19.62137 
1 1 1 -2  6  19 o 139.3302 6.415453 198.2074       18.17708  211.7720       
26.20500  185.6284       25.23498  143.4507 9.029255 134.2167 9.303220 
9.233994       12.96446 
1 1 1 -2  6  20 o 84.22800 10.16714 74.01868       17.06208  92.30052       
24.66562  57.24443       23.62673  93.42661 13.36358 72.53861 16.40180 
20.88799       21.15666 
1 1 1 -2  6  21 o 100.9257 9.296502 105.5763       18.86526  96.15931       
26.20373  115.7097       27.18218  95.13062 13.96074 104.7840 13.03867 
-9.653404      19.10260 
1 1 1 -2  6  22 o 96.01613 10.13192 96.26544       19.48404  88.44614       
28.05605  103.5497       27.07911  90.30653 15.85609 98.53982 13.89966 
-8.233284      21.08593 
1 1 1 -2  6  23 o 36.24496 15.18168 3.773706       18.80230  9.845432       
28.55264  -0.8751805     24.98416  45.71715 18.89082 39.10239 16.96305 
6.614758       25.38914 
1 1 1 -2  6  24 o 46.02941 16.30208 21.44374       19.09075  10.74629       
27.83270  30.94823       26.23490  44.84430 18.60042 53.95384 19.11027 
-9.109539      26.66792 
1 1 1 -2  7  1  o 373.3502 5.412986 1417.842       41.09649  1344.733       
56.13959  1502.256       60.32420  363.5267 7.594189 384.2242 7.720679 
-20.69742      10.82962 
1 1 1 -2  7  2  o 354.8717 3.683856 1280.698       26.58431  1346.042       
38.82955  1223.045       36.47280  363.7766 5.248995 346.7601 5.172357 
17.01648       7.369208 
1 1 1 -2  7  3  o 371.7927 3.824627 1405.793       28.91621  1378.617       
40.34693  1434.493       41.46331  368.1405 5.389462 375.5256 5.429663 
-7.385162      7.650330 
1 1 1 -2  7  4  o 346.4517 3.727304 1220.729       26.25965  1210.344       
36.94586  1231.331       37.33062  344.9302 5.267240 347.9076 5.276548 
-2.977386      7.455586 
1 1 1 -2  7  5  o 111.2408 3.406932 125.8567       7.706886  116.9429       
10.97811  134.5186       10.82193  107.2106 5.035450 114.9910 4.627962 
-7.780304      6.839137 
1 1 1 -2  7  6  o 471.3967 5.301939 2261.505       50.82446  2238.825       
61.82858  2308.765       89.25095  468.9193 6.483952 475.8499 9.223410 
-6.930573      11.27444 
1 1 1 -2  7  7  o 531.9503 5.042767 2879.759       54.54958  2976.944       
79.11098  2791.669       75.31820  540.5988 7.196318 523.5222 7.074788 
17.07660       10.09156 
1 1 1 -2  7  8  o 191.6863 4.244510 373.7952       16.54513  386.5841       
20.30863  348.5545       28.53079  194.9144 5.123719 184.9941 7.584108 
9.920258       9.152660 
1 1 1 -2  7  9  o 362.5446 4.158219 1336.953       30.65634  1380.219       
44.02384  1296.222       42.71500  368.2913 5.878209 356.9083 5.885350 
11.38303       8.318093 
1 1 1 -2  7  10 o 580.1843 7.810884 3426.323       92.15473  0.000000       
0.000000  3426.323       92.15473  ?        ?        580.1843 7.810884 
0.000000       7.810884 
1 1 1 -2  7  11 o 1234.663 10.35488 15526.50       259.9830  15254.90       
361.0909  15818.85       374.6255  1222.790 14.52156 1245.106 14.79584 
-22.31641      20.73144 
1 1 1 -2  7  12 o 421.5359 6.697050 1808.188       57.40762  1808.188       
57.40762  0.000000       0.000000  421.5359 6.697050 ?        ?        
0.000000       6.697050 
1 1 1 -2  7  13 o 411.3916 4.811108 1721.738       40.24871  1647.522       
55.40499  1804.667       58.56708  402.3207 6.772127 421.0665 6.839928 
-18.74576      9.625296 
1 1 1 -2  7  14 o 184.1493 6.954315 345.3290       26.04210  346.1672       
37.06240  344.5116       36.60014  183.9581 9.944417 183.5278 9.842738 
0.4302826      13.99182 
1 1 1 -2  7  15 o 143.4785 5.862967 209.6359       17.10628  215.8563       
24.08072  203.2993       24.30471  145.2564 8.185714 140.9172 8.521626 
4.339172       11.81626 
1 1 1 -2  7  16 o 67.79395 10.77518 48.19528       14.35774  58.42612       
20.25756  37.86823       20.35259  74.20089 13.93715 59.60593 16.31519 
14.59496       21.45762 
1 1 1 -2  7  17 f 204.9003 4.960500 427.6661       20.66900  439.2120       
29.11239  415.9311       29.34983  207.4698 6.900355 201.8701 7.149609 
5.599762       9.936388 
1 1 1 -2  7  18 o 177.9321 5.355060 322.7187       19.37627  375.0819       
28.25644  276.2414       26.62100  191.6243 7.251293 164.3712 7.964293 
27.25305       10.77085 
1 1 1 -2  7  19 o 154.4746 6.045365 243.5404       18.99026  241.3914       
26.35540  245.8610       27.38687  153.2824 8.488340 154.6508 8.744233 
-1.368408      12.18661 
1 1 1 -2  7  20 o 45.07822 15.24946 19.91138       16.62407  42.10247       
23.65077  -1.759064      23.37168  62.36089 17.78178 38.06320 16.45934 
24.29770       24.23018 
1 1 1 -2  7  21 o 171.9579 6.372224 302.2530       22.28253  299.5324       
31.41620  305.0071       31.60921  170.4806 9.094925 172.0426 9.066974 
-1.561996      12.84242 
1 1 1 -2  7  22 o 158.9090 6.845714 258.7112       22.12171  249.3581       
31.56260  267.7421       31.01426  155.0207 10.06676 160.8216 9.525878 
-5.800964      13.85936 
1 1 1 -2  7  23 o 102.1578 10.18398 109.5831       20.87436  123.8337       
30.21329  96.56805       28.87385  107.1429 14.21818 93.82969 15.68635 
13.31322       21.17117 
1 1 1 -2  7  24 o 146.9592 7.323758 223.4960       21.88680  188.3239       
31.80019  255.1530       30.16936  132.5464 11.92573 155.7984 9.568820 
-23.25198      15.29004 
1 1 1 -2  8  1  o 356.3084 4.260466 1291.191       30.86985  1330.510       
55.08091  1273.185       37.27382  361.5910 7.490866 353.7924 5.180885 
7.798553       9.107944 
1 1 1 -2  8  2  o 627.1229 7.843183 4002.549       100.0222  4002.549       
100.0222  0.000000       0.000000  627.1229 7.843183 ?        ?        
0.000000       7.843183 
1 1 1 -2  8  3  o 269.8765 3.269876 740.6807       17.94518  778.0703       
26.01594  706.7444       24.78538  276.5790 4.625608 263.5974 4.623842 
12.98163       6.540349 
1 1 1 -2  8  4  o 357.7983 3.798054 1302.059       27.63445  1316.355       
39.35056  1288.148       38.81693  359.7019 5.379683 355.8279 5.364507 
3.874054       7.597297 
1 1 1 -2  8  5  o 488.4482 4.668914 2427.289       46.37520  2400.521       
65.02410  2455.001       66.15950  485.6019 6.584799 491.0778 6.625071 
-5.475830      9.340832 
1 1 1 -2  8  6  o 116.3628 4.242952 137.7596       10.04000  139.9786       
12.41806  133.5715       17.06045  117.2777 5.206994 114.2710 7.381261 
3.006630       9.033039 
1 1 1 -2  8  7  o 263.8158 3.620867 707.9841       19.42517  693.8459       
27.23925  722.6147       27.70946  261.1077 5.130080 266.4666 5.113683 
-5.358917      7.243443 
1 1 1 -2  8  8  o 332.7850 4.566421 1126.699       30.90232  1159.461       
38.37508  1066.265       52.11992  337.5385 5.590809 323.5433 7.921728 
13.99518       9.695923 
1 1 1 -2  8  9  o 119.8858 4.514728 146.2029       11.00654  140.8810       
15.19924  152.0708       15.95980  117.4833 6.385997 122.0686 6.452339 
-4.585304      9.078196 
1 1 1 -2  8  10 o 275.1832 4.026248 770.1747       22.53066  746.6702       
31.45049  794.9546       32.29251  270.9124 5.708829 279.5355 5.680852 
-8.623016      8.053745 
1 1 1 -2  8  11 o 544.6570 5.349539 3017.673       59.25034  2968.141       
82.44752  3070.573       85.20581  540.0453 7.507511 549.2766 7.628281 
-9.231323      10.70296 
1 1 1 -2  8  12 o 157.2571 7.271237 251.6944       23.25253  0.000000       
0.000000  251.6944       23.25253  ?        ?        157.2571 7.271237 
0.000000       7.271237 
1 1 1 -2  8  13 o 334.3811 4.563102 1137.431       31.02797  1119.183       
43.57246  1156.203       44.19451  331.6037 6.461617 337.0442 6.448076 
-5.440460      9.128537 
1 1 1 -2  8  14 o 373.6400 6.593635 1421.540       50.09908  1451.538       
72.41373  1393.999       69.38488  377.2745 9.438697 369.7456 9.228061 
7.528931       13.20023 
1 1 1 -2  8  15 o 206.3812 4.808805 433.5420       20.18175  433.6897       
28.71803  433.3979       28.36780  206.3021 6.845412 206.2380 6.764030 
0.6408691E-01  9.623501 
1 1 1 -2  8  16 o 48.93991 13.65931 25.33934       14.11166  41.98191       
19.91060  8.541054       20.00352  62.57536 15.67901 40.36379 16.12775 
22.21157       22.49301 
1 1 1 -2  8  17 o 230.3369 4.818367 540.4060       22.56913  553.0649       
32.44724  528.5412       31.41302  232.8077 6.853761 227.5955 6.787261 
5.212173       9.645774 
1 1 1 -2  8  18 o 91.58746 8.411326 86.54041       15.49072  66.19569       
22.02135  106.4686       21.79478  78.81649 14.26479 101.2533 10.74943 
-22.43678      17.86153 
1 1 1 -2  8  19 o 139.2735 6.400248 198.0757       18.12662  216.4617       
25.86932  180.3413       25.40676  145.0546 8.811782 132.2174 9.513094 
12.83728       12.96713 
1 1 1 -2  8  20 o 77.15366 11.30430 62.69117       17.20976  40.35807       
23.84462  86.97445       24.86392  61.20166 17.97551 90.45116 13.96764 
-29.24949      22.76431 
1 1 1 -2  8  21 o 289.4856 5.311447 855.2828       31.26736  817.0805       
43.46748  896.2451       45.01031  282.4004 7.569161 295.7901 7.483023 
-13.38971      10.64368 
1 1 1 -2  8  22 o 56.73883 15.29909 35.16794       18.05523  33.54266       
26.08417  36.66296       25.01713  56.91581 19.10254 58.56507 18.65099 
-1.649258      26.69769 
1 1 1 -2  8  23 o 54.86981 16.21623 33.16846       19.35240  37.74168       
27.95980  28.96268       26.81305  59.10472 19.77772 53.89077 19.29486 
5.213947       27.63060 
1 1 1 -2  8  24 o 107.1610 9.189072 120.9237       19.83072  98.94381       
29.64402  138.7270       26.67940  93.56145 16.16538 113.6600 11.71064 
-20.09857      19.96143 
1 1 1 -2  9  1  o 440.9204 4.912297 1977.497       44.04496  2095.823       
80.03305  1926.090       52.75198  453.7282 8.674055 435.1104 5.961944 
18.61777       10.52540 
1 1 1 -2  9  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -2  9  3  o 293.2581 3.390240 874.6182       20.21770  896.3433       
28.96458  853.9756       28.23372  296.8446 4.798293 289.7443 4.791833 
7.100250       6.781245 
1 1 1 -2  9  4  o 777.4775 6.708434 6152.736       106.0621  6394.844       
155.2977  5941.090       145.1999  792.1691 9.640416 763.5980 9.350831 
28.57117       13.43040 
1 1 1 -2  9  5  o 147.2005 4.584607 220.4571       13.72343  220.4571       
13.72343  0.000000       0.000000  147.2005 4.584607 ?        ?        
0.000000       4.584607 
1 1 1 -2  9  6  o 577.9608 5.321330 3399.890       62.54174  3363.735       
87.61600  3437.450       89.30289  574.5886 7.498509 580.8406 7.560614 
-6.252014      10.64850 
1 1 1 -2  9  7  o 180.1122 3.541975 329.9844       12.97299  322.6491       
18.30783  337.3821       18.38559  178.0596 5.056148 182.0824 4.965445 
-4.022751      7.086626 
1 1 1 -2  9  8  o 831.4971 8.330442 7043.281       140.8576  7110.183       
173.9774  6915.980       239.9870  835.0273 10.24568 822.4018 14.35001 
12.62555       17.63226 
1 1 1 -2  9  9  o 511.9931 7.074991 2668.220       73.66164  2668.220       
73.66164  0.000000       0.000000  511.9931 7.074991 ?        ?        
0.000000       7.074991 
1 1 1 -2  9  10 o 749.3745 6.676336 5714.214       101.7392  5747.375       
144.4700  5681.589       143.2992  751.2522 9.456717 746.9431 9.434196 
4.309143       13.35790 
1 1 1 -2  9  11 f 665.8343 6.129521 4510.525       82.99352  4546.087       
118.1158  4475.846       116.6392  668.2415 8.692069 663.0630 8.650445 
5.178467       12.26304 
1 1 1 -2  9  12 o 278.3062 4.377197 787.8257       24.77253  738.2955       
34.06948  843.3884       36.08459  269.3642 6.219769 287.8999 6.163522 
-18.53571      8.756399 
1 1 1 -2  9  13 o 354.2483 6.527435 1277.344       47.02207  1277.344       
47.02207  0.000000       0.000000  354.2483 6.527435 ?        ?        
0.000000       6.527435 
1 1 1 -2  9  14 o 190.9748 7.105990 371.4878       27.59638  357.3795       
38.64260  386.1720       39.42346  186.8614 10.20803 194.2875 10.01239 
-7.426071      14.29867 
1 1 1 -2  9  15 o 250.6982 4.660889 639.7120       23.76137  628.6375       
33.37804  651.0912       33.83389  248.3857 6.608193 252.7849 6.581872 
-4.399155      9.326803 
1 1 1 -2  9  16 o 246.5946 4.676662 619.1497       23.45152  645.2083       
33.97726  595.4409       32.40919  251.5517 6.642167 241.6603 6.594949 
9.891403       9.360114 
1 1 1 -2  9  17 o 364.4093 4.795729 1352.652       35.53821  1376.257       
50.99929  1330.370       49.54930  367.2343 6.829194 361.0759 6.748195 
6.158386       9.600835 
1 1 1 -2  9  18 o 145.2699 6.031800 215.2908       17.81861  219.4928       
25.38968  211.2125       25.01318  146.1848 8.578478 143.3849 8.618582 
2.799942       12.16019 
1 1 1 -2  9  19 o 277.8617 4.977501 787.1180       28.12493  754.4457       
39.02888  822.4125       40.56489  271.6661 7.064791 283.6461 7.032699 
-11.98001      9.968456 
1 1 1 -2  9  20 o 91.28870 9.656015 86.62395       17.65321  75.38017       
25.02584  97.75979       24.90542  83.71189 15.26350 96.23003 13.06496 
-12.51814      20.09148 
1 1 1 -2  9  21 o 68.04305 13.67558 49.89355       18.26619  43.36227       
25.94566  56.31191       25.72040  63.21837 18.79868 71.53061 17.76316 
-8.312241      25.86349 
1 1 1 -2  9  22 o 179.4777 6.351719 329.8036       23.18212  329.2226       
33.27537  330.3514       32.31468  178.4163 9.202769 179.0381 8.875709 
-0.6217346     12.78551 
1 1 1 -2  9  23 o 125.8664 8.186054 164.3369       20.83858  145.4875       
30.03403  181.8345       28.93700  116.6913 12.87094 131.4375 10.92537 
-14.74621      16.88268 
1 1 1 -2  9  24 o 46.80764 16.34850 22.85773       19.15189  -32.60361      
27.14342  77.84306       27.02669  31.20144 14.94966 82.37392 16.70585 
-51.17249      22.41825 
1 1 1 -2  10 1  o 1079.642 12.75611 11887.70       280.0590  11902.95       
396.5970  11872.53       395.5316  1078.689 18.08014 1077.319 18.05451 
1.369873       25.55106 
1 1 1 -2  10 2  o 550.4485 4.999284 3082.271       55.95978  3085.426       
79.22253  3079.128       79.05589  550.5929 7.075656 550.0313 7.067981 
0.5615845      10.00106 
1 1 1 -2  10 3  o 173.0147 2.940714 304.4194       10.34635  305.7038       
14.71554  303.1638       14.54977  173.3622 4.174173 172.6410 4.144392 
0.7212372      5.882152 
1 1 1 -2  10 4  o 145.4825 3.082501 215.2568       9.119382  234.5060       
13.18582  197.6077       12.62590  151.8298 4.270696 139.3709 4.454909 
12.45885       6.171309 
1 1 1 -2  10 5  o 311.5159 3.629668 987.1323       22.99315  968.7823       
32.22461  1006.164       32.81797  308.5381 5.136029 314.4346 5.132512 
-5.896545      7.260955 
1 1 1 -2  10 6  o 345.3053 3.875609 1213.025       27.21414  1244.105       
39.11082  1183.852       37.89137  349.6025 5.501372 341.0341 5.463753 
8.568359       7.753560 
1 1 1 -2  10 7  o 247.2951 4.141841 622.1520       20.82861  620.9844       
35.62449  622.7585       25.67407  246.9287 7.094561 247.3795 5.103635 
-0.4508057     8.739559 
1 1 1 -2  10 8  o 307.6530 4.483502 962.8818       28.04981  972.9689       
34.41705  942.9282       48.40647  309.2203 5.473361 304.2846 7.822976 
4.935699       9.547598 
1 1 1 -2  10 9  o 318.4395 3.997770 1031.383       25.88786  1049.337       
36.84694  1013.882       36.37947  321.1460 5.642186 315.6731 5.667185 
5.472961       7.996952 
1 1 1 -2  10 10 o 297.1899 4.067835 898.2836       24.58379  916.8864       
34.91082  879.9848       34.62440  300.2096 5.718524 294.1043 5.789346 
6.105286       8.137446 
1 1 1 -2  10 11 o 915.7712 7.924896 8536.182       147.5815  8643.099       
211.1677  8434.098       206.3396  920.9803 11.27524 909.7982 11.15286 
11.18207       15.85929 
1 1 1 -2  10 12 o 199.7074 4.606970 405.6945       18.70945  432.0970       
26.81221  380.6382       26.11969  206.0617 6.398584 193.3966 6.641526 
12.66515       9.222350 
1 1 1 -2  10 13 o 308.6543 4.514697 969.1782       28.33690  948.6711       
39.81739  990.2236       40.33650  305.2864 6.413778 311.9035 6.359552 
-6.617096      9.032189 
1 1 1 -2  10 14 o 60.46774 16.16572 38.83487       20.26125  60.81337       
29.74081  19.79978       27.67777  75.39494 19.31240 51.34597 19.39126 
24.04897       27.36767 
1 1 1 -2  10 15 o 457.2026 5.072680 2128.194       47.16258  2105.509       
66.25777  2151.491       67.14705  454.4610 7.169498 459.3936 7.187711 
-4.932556      10.15209 
1 1 1 -2  10 16 o 143.9879 5.789272 211.2711       16.95124  228.4083       
24.11596  194.5353       23.83191  149.3555 7.969005 137.7251 8.551571 
11.63040       11.68907 
1 1 1 -2  10 17 o 227.1809 4.821605 525.7546       22.27486  513.9000       
31.26662  537.9721       31.74156  224.3899 6.852138 229.5920 6.798610 
-5.202057      9.652611 
1 1 1 -2  10 18 o 104.8920 7.698589 113.0902       16.30649  94.86494       
23.06451  131.3040       23.05722  95.18082 12.19694 112.6426 10.17578 
-17.46174      15.88432 
1 1 1 -2  10 19 o 34.33393 13.91901 5.329448       15.13651  2.202918       
21.50204  8.400877       21.31173  38.22862 16.13510 41.01160 16.55449 
-2.782982      23.11693 
1 1 1 -2  10 20 o 159.6932 6.414363 260.6310       20.83010  250.3173       
29.93427  270.3138       29.00416  155.7472 9.496798 162.0265 8.836208 
-6.279373      12.97181 
1 1 1 -2  10 21 o 202.1980 5.977117 417.7796       24.57650  403.7539       
34.69890  431.8987       34.81423  198.2447 8.607215 205.1007 8.347149 
-6.856018      11.98996 
1 1 1 -2  10 22 o 178.3935 6.342862 325.9050       23.00995  313.2151       
32.99045  337.9261       32.10940  173.9159 9.362673 181.0795 8.719901 
-7.163559      12.79439 
1 1 1 -2  10 23 o 64.10587 14.65636 45.62148       18.69013  23.98660       
27.06655  65.33964       25.83978  51.17791 19.20782 76.09005 17.11448 
-24.91214      25.72636 
1 1 1 -2  10 24 o 62.65556 14.87117 44.66295       18.66363  44.00039       
26.97146  45.27169       25.85278  61.23267 19.35152 62.03988 18.83718 
-0.8072128     27.00594 
1 1 1 -2  11 1  o 255.2895 4.579470 662.9667       23.77386  634.6682       
32.90095  693.8867       34.39116  249.7228 6.478862 261.1135 6.476883 
-11.39064      9.161096 
1 1 1 -2  11 2  o 155.0442 3.996933 244.5087       12.60183  0.000000       
0.000000  244.5087       12.60183  ?        ?        155.0442 3.996933 
0.000000       3.996933 
1 1 1 -2  11 3  o 168.0112 2.951097 287.0763       10.08261  320.3617       
14.75349  257.9076       13.81106  177.4655 4.088173 159.2272 4.265386 
18.23831       5.908187 
1 1 1 -2  11 4  o 357.9353 3.818554 1303.259       27.79425  1331.266       
39.88524  1276.819       38.75321  361.6761 5.423016 354.2054 5.380231 
7.470703       7.639110 
1 1 1 -2  11 5  o 291.4798 4.079928 864.3744       24.18313  899.9678       
30.46274  803.7142       39.76825  297.3733 5.037506 280.9032 6.961908 
16.47009       8.593289 
1 1 1 -2  11 6  o 146.8521 3.528029 219.3726       10.53571  208.9873       
14.94685  229.6280       14.85308  143.2971 5.129333 150.2143 4.862435 
-6.917191      7.067767 
1 1 1 -2  11 7  o 282.6328 4.254254 812.6685       24.45105  908.1867       
44.66108  771.7840       29.21904  298.6128 7.354776 275.3922 5.217505 
23.22055       9.017488 
1 1 1 -2  11 8  o 292.7685 4.424987 871.9365       26.34436  904.5922       
32.92038  813.7831       43.93119  298.1631 5.429495 282.6984 7.641845 
15.46475       9.374284 
1 1 1 -2  11 9  o 361.9926 4.176109 1332.825       30.74135  1333.506       
43.42000  1332.140       43.52987  362.0221 5.897981 361.8359 5.915947 
0.1862183      8.353718 
1 1 1 -2  11 10 o 1079.162 9.127206 11858.14       200.2977  11816.51       
282.2154  11900.40       284.3238  1076.500 12.89185 1080.302 12.94245 
-3.802124      18.26765 
1 1 1 -2  11 11 o 658.3077 6.081635 4409.244       81.41429  4619.418       
119.7269  4228.470       111.0378  673.5793 8.740808 644.4727 8.472568 
29.10669       12.17317 
1 1 1 -2  11 12 o 46.10854 13.21405 22.19145       13.02781  31.53539       
18.08915  12.12190       18.77838  54.84790 15.52047 41.67847 15.91654 
13.16943       22.23109 
1 1 1 -2  11 13 o 312.5754 4.527974 993.9940       28.78128  957.0287       
39.90495  1034.071       41.55068  306.6193 6.399940 318.7214 6.410847 
-12.10217      9.058598 
1 1 1 -2  11 14 f 301.9023 6.422188 928.2404       39.42765  918.8035       
56.14787  937.4203       55.37832  300.1073 9.200371 303.1560 8.983016 
-3.048737      12.85851 
1 1 1 -2  11 15 o 119.5275 6.677579 146.0640       16.16585  149.8566       
22.56279  142.0634       23.17337  120.7743 9.257321 117.5003 9.787387 
3.273956       13.47186 
1 1 1 -2  11 16 o 198.6742 5.040278 402.0378       20.36326  454.9140       
29.98532  356.7794       27.74140  211.1653 6.982882 186.9782 7.296020 
24.18715       10.09914 
1 1 1 -2  11 17 o 263.0431 4.675861 704.8060       25.01151  714.8742       
35.55762  694.9457       35.18851  264.6744 6.606466 260.9557 6.631057 
3.718750       9.360358 
1 1 1 -2  11 18 o 21.63068 10.50707 -25.01178      14.56907  -43.69315      
20.68201  -6.610423      20.52643  24.12218 11.88222 33.79662 14.99282 
-9.674437      19.13039 
1 1 1 -2  11 19 o 54.95593 14.17912 32.58116       15.95126  47.40380       
22.15104  16.61548       22.98927  65.99568 16.53854 46.39819 17.63662 
19.59749       24.17795 
1 1 1 -2  11 20 o 106.6313 8.613302 117.4448       18.51751  97.61034       
25.84389  138.3709       26.54562  95.96048 13.62663 115.1447 11.49044 
-19.18420      17.82457 
1 1 1 -2  11 21 o 145.0495 7.049226 215.4578       20.79261  229.6951       
30.57736  203.2120       28.35825  148.8643 10.16157 140.0153 10.02621 
8.848938       14.27523 
1 1 1 -2  11 22 o 38.11365 15.32766 8.027069       18.19647  -17.34667      
25.89694  32.77092       25.57349  34.61286 15.93743 56.14091 18.91426 
-21.52805      24.73360 
1 1 1 -2  11 23 o 103.2562 9.575806 111.8878       19.87802  133.7636       
29.15615  92.88784       27.17213  111.5561 13.10189 91.89800 15.06203 
19.65806       19.96307 
1 1 1 -2  11 24 o 124.8157 8.461136 163.3944       21.34893  130.9087       
30.53369  194.4654       29.86144  108.7086 14.14745 134.8505 10.98494 
-26.14184      17.91142 
1 1 1 -2  12 1  f 343.0899 5.240500 1197.716       36.56218  1182.648       
51.30490  1213.266       52.11814  340.8012 7.402975 345.1832 7.424853 
-4.381958      10.48487 
1 1 1 -2  12 2  o 452.4239 4.337408 2082.275       39.90499  2091.660       
56.65208  2073.034       56.21877  453.3235 6.145484 451.3022 6.125796 
2.021393       8.677117 
1 1 1 -2  12 3  o 401.4537 4.040951 1639.500       32.98910  1716.315       
48.19493  1571.781       45.25133  410.6431 5.771457 392.9799 5.662518 
17.66315       8.085407 
1 1 1 -2  12 4  o 177.4563 3.124229 320.2972       11.27420  340.8419       
16.33954  301.6275       15.57609  183.0285 4.390052 172.1765 4.448702 
10.85205       6.250081 
1 1 1 -2  12 5  o 473.8529 5.289485 2285.455       50.96926  2292.861       
62.72313  2271.058       87.45406  474.4908 6.500527 471.8621 9.114093 
2.628662       11.19480 
1 1 1 -2  12 6  o 247.9547 3.509296 625.4013       17.69473  631.2397       
25.30099  619.8116       24.75616  249.0529 4.995679 246.7909 4.932904 
2.261993       7.020709 
1 1 1 -2  12 7  o 352.2053 4.603047 1262.087       32.96800  1291.766       
57.83485  1247.800       40.12566  356.0950 7.986790 350.1507 5.635283 
5.944366       9.774724 
1 1 1 -2  12 8  o 399.6136 4.990036 1624.659       40.55042  1614.919       
49.45439  1644.645       70.83952  398.3546 6.104971 401.8212 8.669445 
-3.466583      10.60330 
1 1 1 -2  12 9  o 570.8295 5.400114 3314.970       62.68459  3314.656       
88.58206  3315.286       88.71688  570.6414 7.633629 570.6947 7.644534 
-0.5334473E-01 10.80330 
1 1 1 -2  12 10 o 201.9756 4.085220 414.9014       16.77899  415.0290       
23.45096  414.7676       24.01732  201.9788 5.709571 201.9124 5.849384 
0.6643677E-01  8.174014 
1 1 1 -2  12 11 o 317.2728 4.253401 1023.841       27.44231  1016.281       
38.68348  1031.500       38.93633  316.0462 6.018987 318.4041 6.013466 
-2.357880      8.508230 
1 1 1 -2  12 12 o 266.8304 4.439327 724.2504       24.08817  754.7811       
34.28067  694.4733       33.85497  272.3383 6.189978 261.2249 6.373183 
11.11343       8.884441 
1 1 1 -2  12 13 o 125.1848 6.321088 159.9389       16.03940  150.3308       
22.87157  169.2368       22.49929  121.0741 9.362277 128.5789 8.655310 
-7.504776      12.75016 
1 1 1 -2  12 14 o 219.0063 6.602471 488.5723       29.40455  512.8340       
42.81523  466.9131       40.45380  224.1686 9.392303 213.9046 9.300104 
10.26401       13.21769 
1 1 1 -2  12 15 o 138.9927 5.949690 196.8242       16.81659  192.3461       
23.60812  201.4368       23.96027  136.9972 8.516349 140.2183 8.442385 
-3.221115      11.99175 
1 1 1 -2  12 16 o 242.8796 4.729759 600.7651       23.36046  616.8550       
32.90712  584.4193       33.16779  245.9250 6.580150 239.3450 6.814607 
6.580048       9.472974 
1 1 1 -2  12 17 o 141.4168 5.910281 203.9555       16.99654  171.9727       
23.97448  236.2727       24.09949  129.2630 9.180303 151.8371 7.831777 
-22.57407      12.06709 
1 1 1 -2  12 18 o 124.5703 8.134752 159.4956       20.49364  196.5362       
35.53138  141.0305       25.08701  137.3146 12.87492 116.6286 10.69692 
20.68597       16.73881 
1 1 1 -2  12 19 o 43.94328 14.84047 18.91115       15.74406  -3.438021      
22.52416  40.26226       22.01548  36.70199 16.01205 60.98923 17.07466 
-24.28724      23.40790 
1 1 1 -2  12 20 o 237.9729 5.371356 577.9886       25.99338  604.2743       
37.35278  553.3072       36.19495  242.8739 7.562939 232.3835 7.659337 
10.49036       10.76399 
1 1 1 -2  12 21 o 263.1304 5.426392 707.0854       29.03579  695.8130       
41.71305  717.6813       40.44206  260.3932 7.877546 264.5621 7.517166 
-4.168976      10.88869 
1 1 1 -2  12 22 o 94.36545 10.32300 93.43918       19.48627  116.4762       
27.95843  71.67704       27.17380  104.4342 13.47956 80.33884 17.15475 
24.09534       21.81706 
1 1 1 -2  12 23 o 44.25663 16.06324 18.57859       18.66023  4.037976       
26.15728  33.64738       26.62811  41.46808 17.66182 56.03199 19.29363 
-14.56392      26.15691 
1 1 1 -2  12 24 o 35.96733 14.94213 5.937988       18.00199  -5.734123      
25.54037  17.46190       25.37771  36.82568 16.50388 45.99799 18.23313 
-9.172310      24.59319 
1 1 1 -2  13 1  o 435.5949 4.896750 1930.702       43.37527  2036.717       
54.89822  1754.565       70.76203  447.3066 6.035337 414.9474 8.386019 
32.35925       10.33202 
1 1 1 -2  13 2  o 477.0804 4.514398 2315.758       43.79684  2444.338       
64.47742  2205.612       59.67693  489.9744 6.471170 465.4492 6.304965 
24.52515       9.034857 
1 1 1 -2  13 3  o 368.2770 3.846802 1379.735       28.80885  1404.590       
41.26028  1356.091       40.24250  371.4815 5.461898 365.0146 5.421548 
6.466949       7.695812 
1 1 1 -2  13 4  o 224.9491 3.228988 514.7104       14.77074  540.2012       
21.35461  491.3278       20.45253  230.4066 4.557695 219.7361 4.577141 
10.67053       6.459320 
1 1 1 -2  13 5  o 310.7699 4.222902 982.6492       26.68710  959.2916       
32.31998  1032.698       47.31022  307.0010 5.177021 318.3672 7.307609 
-11.36615      8.955595 
1 1 1 -2  13 6  o 285.6898 4.200721 830.3692       24.40451  804.2419       
41.86438  843.8179       30.03581  280.9875 7.326665 287.9517 5.129420 
-6.964203      8.943768 
1 1 1 -2  13 7  f 129.0193 4.613473 169.3533       12.10415  148.6855       
20.58626  180.2737       14.96406  120.5103 8.453946 133.0966 5.528803 
-12.58627      10.10133 
1 1 1 -2  13 8  o 652.7985 6.851450 4337.622       90.95218  4256.622       
109.5887  4516.907       163.0402  646.5061 8.335695 665.3970 12.04932 
-18.89087      14.65162 
1 1 1 -2  13 9  o 380.1712 4.295018 1470.045       33.20440  1447.632       
46.50435  1493.354       47.42541  377.1969 6.062811 383.1062 6.087521 
-5.909332      8.591599 
1 1 1 -2  13 10 o 347.5200 4.237676 1228.340       29.94738  1255.062       
42.68062  1202.425       42.03085  351.2248 5.975773 343.7794 6.012246 
7.445343       8.476849 
1 1 1 -2  13 11 o 144.3603 5.053428 211.9987       14.83492  204.1413       
20.74525  220.2216       21.22239  141.4380 7.236989 147.0979 7.094741 
-5.659851      10.13456 
1 1 1 -2  13 12 o 247.5085 4.524354 623.1887       22.77184  693.4249       
32.85190  558.2304       31.59344  261.0268 6.189049 234.1865 6.634125 
26.84032       9.072814 
1 1 1 -2  13 13 o 541.4761 5.463445 2984.018       60.15854  2943.333       
84.04818  3026.758       86.14462  537.5167 7.689268 545.0697 7.771854 
-7.553040      10.93282 
1 1 1 -2  13 14 o 181.1059 7.189034 334.2675       26.47614  374.2379       
38.43604  298.1769       36.52299  191.1742 9.920950 170.4957 10.58652 
20.67851       14.50860 
1 1 1 -2  13 15 o 362.6673 6.678403 1340.909       49.25297  0.000000       
0.000000  1340.909       49.25297  ?        ?        362.6673 6.678403 
0.000000       6.678403 
1 1 1 -2  13 16 o 145.4084 5.734389 215.5159       16.95618  218.5263       
24.19526  212.6106       23.76973  146.0072 8.181958 144.0162 8.149791 
1.991013       11.54831 
1 1 1 -2  13 17 o 224.3921 4.859816 513.0468       22.17578  532.7437       
31.61442  493.9683       31.11414  228.4267 6.805922 219.9363 6.956798 
8.490402       9.732297 
1 1 1 -2  13 18 o 126.6071 7.969445 164.6994       20.41341  189.3978       
35.95223  152.9485       24.79849  134.6222 13.30703 121.5918 10.12123 
13.03040       16.71874 
1 1 1 -2  13 19 o 368.6513 5.044522 1386.098       37.81701  1327.604       
52.52906  1449.034       54.48734  360.2226 7.170959 376.3529 7.119492 
-16.13025      10.10494 
1 1 1 -2  13 20 o 117.9972 8.103310 143.4740       19.32615  121.4390       
27.68236  164.4256       26.99327  107.3622 12.94021 125.7797 10.65353 
-18.41748      16.76146 
1 1 1 -2  13 21 o 79.65752 12.04526 67.34129       18.90245  56.90171       
26.83655  77.61992       26.62887  71.62173 18.34487 84.42889 16.09751 
-12.80716      24.40623 
1 1 1 -2  13 22 o 66.63077 14.27914 48.64783       18.76579  39.38010       
26.28381  58.28417       26.80142  60.08952 19.11531 71.95637 18.28008 
-11.86685      26.44913 
1 1 1 -2  13 23 o 103.7651 9.683261 113.3568       20.19654  104.2505       
27.89570  123.3887       29.27894  97.44346 14.52126 106.4868 13.84872 
-9.043365      20.06624 
1 1 1 -2  13 24 o 86.18069 10.58871 80.02122       18.16648  93.02078       
25.51498  66.65604       25.87130  91.08344 14.24182 75.21104 17.27881 
15.87241       22.39167 
1 1 1 -2  14 1  o 333.5342 4.171467 1131.813       28.29311  1105.371       
33.84145  1193.213       51.56812  329.5669 5.049564 342.2303 7.409884 
-12.66342      8.966854 
1 1 1 -2  14 2  o 304.1361 3.071202 940.8240       18.99450  963.2924       
24.76411  908.7158       29.60368  307.7110 3.957567 298.8226 4.871703 
8.888397       6.276609 
1 1 1 -2  14 3  o 414.4436 4.137734 1747.591       34.87221  1828.286       
50.89155  1676.165       47.87964  423.7588 5.905757 405.7561 5.802757 
18.00266       8.279490 
1 1 1 -2  14 4  o 168.9586 4.530006 290.4927       15.56433  290.4927       
15.56433  0.000000       0.000000  168.9586 4.530006 ?        ?        
0.000000       4.530006 
1 1 1 -2  14 5  o 151.3384 3.879635 233.0051       11.93965  236.2249       
14.85739  227.1344       20.06168  152.3578 4.795417 149.3396 6.606035 
3.018188       8.163071 
1 1 1 -2  14 6  o 169.1872 4.069188 291.1986       13.99996  307.8529       
24.84786  283.4528       16.94570  173.8657 7.027868 166.8993 4.992909 
6.966446       8.620909 
1 1 1 -2  14 7  o 505.2114 9.792075 2601.853       100.6003  2601.853       
100.6003  0.000000       0.000000  505.2114 9.792075 ?        ?        
0.000000       9.792075 
1 1 1 -2  14 8  o 317.6874 3.944582 1026.525       25.48311  1042.433       
36.35733  1011.163       35.72804  320.0848 5.585674 315.2479 5.573213 
4.836914       7.890530 
1 1 1 -2  14 9  o 534.0447 5.172622 2901.296       56.17458  2939.245       
80.30124  2864.927       78.61140  537.3904 7.348198 530.5575 7.286210 
6.832947       10.34818 
1 1 1 -2  14 10 o 168.6002 4.384024 289.1270       15.03081  300.5935       
21.22617  277.5942       21.28751  171.8834 6.072761 165.1720 6.337777 
6.711426       8.777576 
1 1 1 -2  14 11 o 244.4320 4.263335 607.7173       21.19137  630.1105       
30.30066  586.2782       29.64822  248.8490 5.987767 240.0350 6.073969 
8.813919       8.529154 
1 1 1 -2  14 12 o 390.0248 5.398224 1547.886       42.81486  1587.538       
52.99910  1473.396       72.64143  394.9140 6.599553 380.2288 9.394809 
14.68521       11.48114 
1 1 1 -2  14 13 o 69.83308 10.47408 50.86878       14.41530  42.78625       
20.06749  59.48616       20.72083  63.35625 15.66432 75.02516 14.09917 
-11.66891      21.07504 
1 1 1 -2  14 14 o 101.3545 10.54138 106.1265       21.40873  107.0446       
30.89075  105.2779       29.69752  100.8830 15.55797 100.1347 15.04976 
0.7483368      21.64592 
1 1 1 -2  14 15 o 314.6656 4.633495 1008.123       29.64896  1051.576       
42.85019  968.2117       41.06658  321.1553 6.561244 308.1636 6.553236 
12.99173       9.273338 
1 1 1 -2  14 16 o 202.4954 4.955812 417.7318       20.40711  387.1832       
28.57763  449.5184       29.15093  194.7386 7.216436 209.8749 6.830310 
-15.13635      9.936301 
1 1 1 -2  14 17 o 79.73946 9.503388 66.09406       15.10646  47.16859       
21.71083  83.85593       21.03281  66.02001 16.27508 89.48142 11.85035 
-23.46141      20.13228 
1 1 1 -2  14 18 o 158.1615 7.085515 255.7336       22.78891  254.2780       
38.63850  256.5100       28.21980  156.4151 12.24535 157.9258 8.822448 
-1.510742      15.09252 
1 1 1 -2  14 19 o 148.1010 6.524993 224.2109       19.65122  203.6121       
27.45798  245.8403       28.13648  140.3649 9.678788 154.4560 8.997015 
-14.09117      13.21458 
1 1 1 -2  14 20 o 197.4656 5.963440 398.4178       23.94637  397.0573       
34.08348  399.7440       33.65123  196.6260 8.524158 197.3217 8.386383 
-0.6956329     11.95795 
1 1 1 -2  14 21 o 199.4308 6.070271 406.8116       24.61795  437.8708       
35.63141  378.4442       34.05232  206.3182 8.492668 191.7438 8.733213 
14.57440       12.18173 
1 1 1 -2  14 22 o 99.60590 9.793152 103.8774       19.57979  58.46026       
27.63815  149.6370       27.74216  71.84629 18.72635 119.0887 11.60299 
-47.24243      22.02965 
1 1 1 -2  14 23 o 56.76359 15.95369 36.43352       19.18068  -15.12115      
26.46656  93.46299       27.83640  35.10900 16.14580 91.53987 15.50745 
-56.43087      22.38678 
1 1 1 -2  14 24 o 86.82259 10.79673 81.54698       18.65068  95.58966       
26.91432  68.57410       25.86883  91.77141 14.93564 76.21992 17.10961 
15.55148       22.71150 
1 1 1 -2  15 1  o 173.2832 2.878343 305.4061       10.14262  298.4745       
11.35248  332.8257       22.57897  171.2975 3.259031 180.7887 6.141599 
-9.491196      6.952734 
1 1 1 -2  15 2  f 56.83174 3.994239 33.02305       4.586784  32.49511       
5.088111  35.31304       10.59697  56.33218 4.478667 58.11718 9.278630 
-1.785000      10.30298 
1 1 1 -2  15 3  o 212.9019 4.462591 461.2438       19.32049  461.2438       
19.32049  0.000000       0.000000  212.9019 4.462591 ?        ?        
0.000000       4.462591 
1 1 1 -2  15 4  o 92.53678 4.348590 87.13131       8.183033  109.0055       
10.35817  50.81208       13.34705  103.4918 4.921818 69.91242 9.644955 
33.57938       10.82818 
1 1 1 -2  15 5  o 207.7710 3.373864 439.1017       14.25489  444.6853       
20.23820  433.6042       20.08164  209.0464 4.760777 206.4246 4.783946 
2.621841       6.749158 
1 1 1 -2  15 6  o 349.1961 4.552660 1240.608       32.32854  1309.098       
58.17451  1210.007       38.88577  358.4710 7.980448 344.8098 5.545743 
13.66125       9.718170 
1 1 1 -2  15 7  o 529.4327 5.833744 2852.442       62.80722  2804.313       
107.3258  2877.508       77.45487  524.5017 10.06250 531.6376 7.164430 
-7.135925      12.35244 
1 1 1 -2  15 8  o 604.1960 5.612938 3714.182       68.96354  3606.988       
95.05987  3833.284       100.2015  595.2260 7.853512 613.5956 8.030461 
-18.36963      11.23236 
1 1 1 -2  15 9  o 643.8475 5.910390 4217.616       77.38390  4282.799       
110.8681  4155.692       108.0607  648.5905 8.405906 638.9021 8.317290 
9.688416       11.82525 
1 1 1 -2  15 10 o 264.4310 5.739371 711.4036       30.86229  711.4036       
30.86229  0.000000       0.000000  264.4310 5.739371 ?        ?        
0.000000       5.739371 
1 1 1 -2  15 11 o 269.7861 6.008776 740.6461       32.96529  740.6461       
32.96529  0.000000       0.000000  269.7861 6.008776 ?        ?        
0.000000       6.008776 
1 1 1 -2  15 12 o 94.59838 9.125061 92.04606       17.33602  103.8490       
21.04967  67.16202       30.56398  100.3664 10.46750 79.29460 19.16680 
21.07182       21.83884 
1 1 1 -2  15 13 o 341.0282 4.615562 1183.468       32.00858  1132.564       
44.26715  1239.244       46.33774  333.4775 6.527751 348.8294 6.532363 
-15.35187      9.234897 
1 1 1 -2  15 14 f 304.1625 5.311646 942.0428       32.85385  977.7545       
41.14054  879.1786       54.58410  309.7578 6.531251 293.4156 9.148113 
16.34216       11.24034 
1 1 1 -2  15 15 o 313.0116 4.622319 997.6325       29.42197  997.1575       
41.44373  998.1151       41.77616  312.7139 6.517189 312.8571 6.566455 
-0.1432800     9.251599 
1 1 1 -2  15 16 o 193.5712 5.090979 381.8040       20.03980  379.3975       
28.07041  384.3055       28.61865  192.7568 7.161232 193.9887 7.254730 
-1.231934      10.19384 
1 1 1 -2  15 17 o 143.3601 5.941092 209.6857       17.31992  221.6608       
24.25733  197.2315       24.73787  146.9535 8.149229 138.4763 8.830905 
8.477188       12.01644 
1 1 1 -2  15 18 o 257.2520 7.462153 677.1307       39.03682  639.0078       
51.68078  727.7785       59.56844  249.2282 10.19719 265.7156 11.02422 
-16.48740      15.01719 
1 1 1 -2  15 19 o 212.0541 5.638070 459.1013       24.31244  436.9125       
33.47822  483.8622       35.36530  206.4409 7.974716 217.2429 8.005350 
-10.80199      11.29963 
1 1 1 -2  15 20 o 89.92322 10.63637 84.64953       19.07310  44.50797       
26.54776  127.4730       27.42026  63.93238 19.01659 110.0959 12.46730 
-46.16355      22.73905 
1 1 1 -2  15 21 o 113.0823 8.848297 132.5210       20.18502  153.8814       
28.98492  112.4072       28.12631  121.0221 11.93289 102.6604 13.82428 
18.36165       18.26211 
1 1 1 -2  15 22 o 89.26571 10.86964 84.31165       19.32374  68.97308       
27.62948  98.99831       27.03597  78.21714 17.77439 95.55312 14.35775 
-17.33598      22.84893 
1 1 1 -2  15 23 o 128.4065 12.11388 177.0458       31.25783  212.2531       
43.80131  140.5092       44.62058  138.1902 15.87512 108.7772 20.93168 
29.41296       26.27080 
1 1 1 -2  15 24 o 63.50184 16.23565 47.53908       21.04691  50.52240       
26.13547  42.03478       35.50025  64.37406 18.79413 59.68058 22.07631 
4.693481       28.99280 
1 1 1 -2  16 1  o 627.0313 4.979655 4001.707       63.49505  3892.081       
79.89755  4189.621       104.6056  618.1836 6.355718 641.0601 8.024256 
-22.87646      10.23640 
1 1 1 -2  16 2  o 282.8269 3.364753 813.7023       19.35197  812.2628       
22.09938  818.4362       40.07508  282.5563 3.846128 283.4321 6.953029 
-0.8757629     7.945899 
1 1 1 -2  16 3  o 207.0791 3.162896 436.1832       13.31903  470.7142       
19.35428  405.1186       18.35715  215.0783 4.425161 199.5268 4.524312 
15.55150       6.328621 
1 1 1 -2  16 4  o 468.4108 5.232552 2233.145       49.84159  2342.910       
63.47131  2056.590       80.49821  479.6513 6.507294 449.0938 8.814503 
30.55756       10.95629 
1 1 1 -2  16 5  o 105.8479 3.908411 113.9744       8.412674  106.5399       
11.93472  121.3163       11.86026  102.1445 5.769345 109.1799 5.341954 
-7.035423      7.862685 
1 1 1 -2  16 6  o 445.4716 5.187553 2019.261       46.99309  1994.262       
81.18457  2031.858       57.62917  442.3640 9.024898 446.7746 6.343113 
-4.410553      11.03104 
1 1 1 -2  16 7  o 149.0647 3.913013 226.0115       11.86145  216.7742       
16.82769  235.1331       16.72204  145.9573 5.669533 152.0176 5.409336 
-6.060333      7.836103 
1 1 1 -2  16 8  o 364.6128 4.174184 1352.188       30.94959  1422.902       
45.24272  1289.991       42.43111  373.9576 5.949423 356.0680 5.860032 
17.88962       8.350785 
1 1 1 -2  16 9  o 269.6682 3.998371 739.6238       21.92625  777.1442       
31.90029  706.0247       30.18737  276.3817 5.675889 263.4331 5.635125 
12.94864       7.998147 
1 1 1 -2  16 10 o 146.1756 4.834332 217.3568       14.37019  231.1817       
20.18509  203.1489       20.46280  150.7226 6.585685 141.0971 7.155149 
9.625458       9.724577 
1 1 1 -2  16 11 o 311.3707 4.344137 986.2225       27.50634  989.8040       
38.58470  982.5215       39.22282  311.8673 6.084065 310.7122 6.207676 
1.155090       8.692014 
1 1 1 -2  16 12 o 231.3755 5.354447 544.8053       25.19321  571.9274       
30.75905  489.5287       43.91191  237.0207 6.381682 219.0921 9.856080 
17.92862       11.74173 
1 1 1 -2  16 13 o 234.7347 4.724882 560.7665       22.55380  516.6053       
30.97887  610.5731       32.89948  225.1920 6.764898 244.8281 6.608096 
-19.63615      9.456785 
1 1 1 -2  16 14 o 261.1475 4.718716 694.2858       25.05885  672.6281       
34.53217  718.3766       36.42030  256.8871 6.610437 265.4659 6.746577 
-8.578766      9.445326 
1 1 1 -2  16 15 o 38.59090 14.04403 12.60456       14.27741  2.524307       
19.47325  24.32200       20.99515  36.84781 15.44299 50.27256 17.13677 
-13.42475      23.06849 
1 1 1 -2  16 16 o 71.55438 10.75122 53.71820       15.16023  38.81993       
21.06177  69.73625       21.83895  60.14068 16.65257 81.08279 13.73536 
-20.94211      21.58630 
1 1 1 -2  16 17 o 71.34374 10.79890 53.50292       15.17705  36.17474       
20.83587  73.08881       22.15168  58.12665 16.72657 82.98573 13.59768 
-24.85909      21.55632 
1 1 1 -2  16 18 o 171.7528 8.498159 302.5034       29.68110  271.1695       
39.20958  344.5558       45.42347  161.5071 12.02463 182.0530 12.34254 
-20.54588      17.23166 
1 1 1 -2  16 19 o 109.5078 8.459063 123.8205       18.69127  126.1898       
26.64149  121.5238       26.23021  109.6861 12.14815 107.6007 12.20350 
2.085381       17.21927 
1 1 1 -2  16 20 f 124.2534 9.876979 160.2068       24.75057  137.1308       
28.89370  223.8102       47.96922  114.1341 12.66247 144.6026 16.61489 
-30.46845      20.89001 
1 1 1 -2  16 21 o 182.0246 7.776884 340.5378       28.78638  360.3570       
34.66136  296.4785       51.67984  186.8705 9.121232 166.6219 15.42745 
20.24854       17.92214 
1 1 1 -2  16 22 o 40.43914 15.62976 12.49147       18.25691  45.27317       
25.75730  -20.60715      25.88150  63.31982 18.70672 33.46018 15.58755 
29.85965       24.34981 
1 1 1 -2  16 23 o 32.09938 14.58433 -9.242160      20.75310  53.75296       
40.24303  -32.06451      24.22242  67.13960 23.68060 28.97032 13.94326 
38.16928       27.48063 
1 1 1 -2  16 24 o 53.87989 15.39146 33.89645       17.70304  37.52685       
25.22893  30.37507       24.84720  56.14457 18.78705 51.91566 18.57552 
4.228916       26.41975 
1 1 1 -2  17 1  o 235.4173 3.138608 563.7313       15.02543  544.1921       
20.94589  584.4446       21.56599  231.2545 4.454073 239.6558 4.425171 
-8.401306      6.278607 
1 1 1 -2  17 2  o 301.4500 3.474774 924.4026       21.30067  920.8738       
24.33742  935.9550       44.03520  300.8517 3.978054 303.0926 7.144525 
-2.240906      8.177356 
1 1 1 -2  17 3  o 27.07107 9.152049 6.929374       5.987733  4.888395       
7.038803  12.27382       11.39019  25.87866 9.777550 36.48854 12.61544 
-10.60988      15.96088 
1 1 1 -2  17 4  o 238.2491 4.761052 577.5977       23.06670  577.5977       
23.06670  0.000000       0.000000  238.2491 4.761052 ?        ?        
0.000000       4.761052 
1 1 1 -2  17 5  o 325.9281 4.383955 1080.743       29.05624  1116.599       
36.16002  1015.401       48.81409  331.2415 5.368246 315.7337 7.602787 
15.50781       9.307010 
1 1 1 -2  17 6  o 97.40163 9.024196 97.49318       17.67113  0.000000       
0.000000  97.49318       17.67113  ?        ?        97.40163 9.024196 
0.000000       9.024196 
1 1 1 -2  17 7  o 414.4710 4.392352 1747.424       37.02054  1721.215       
51.68520  1775.037       53.05143  411.2635 6.180087 417.6402 6.246595 
-6.376740      8.787117 
1 1 1 -2  17 8  o 527.6312 5.105417 2832.077       54.77887  2816.459       
77.23013  2847.889       77.71016  526.0396 7.219662 528.9662 7.224345 
-2.926636      10.21346 
1 1 1 -2  17 9  o 686.2031 6.212181 4791.253       86.68584  4834.886       
123.6294  4749.056       121.5809  689.0604 8.822931 682.9247 8.754694 
6.135742       12.42935 
1 1 1 -2  17 10 o 185.7349 4.373892 350.9023       16.52012  364.8857       
23.40654  337.0225       23.31965  189.3635 6.078401 181.9846 6.301387 
7.378983       8.755252 
1 1 1 -2  17 11 o 384.2092 4.565969 1501.741       35.67403  1505.687       
50.51956  1497.817       50.38213  384.6081 6.459363 383.6016 6.458694 
1.006500       9.134446 
1 1 1 -2  17 12 o 81.10093 10.84637 68.32367       17.43991  52.64058       
20.43787  110.3296       33.44835  70.39647 14.74904 102.4124 16.63151 
-32.01593      22.22929 
1 1 1 -2  17 13 o 264.6368 4.602265 712.7606       24.76699  655.2161       
33.87915  778.8130       36.29738  253.6016 6.569451 276.4974 6.455544 
-22.89581      9.210415 
1 1 1 -2  17 14 f 324.7802 4.679891 1073.941       30.90842  1083.559       
43.71709  1064.329       43.70512  326.0170 6.594161 323.1036 6.651797 
2.913391       9.366396 
1 1 1 -2  17 15 o 482.4061 5.240588 2371.179       51.40960  2369.596       
72.80567  2372.754       72.60304  481.7312 7.432056 482.0592 7.406329 
-0.3279724     10.49234 
1 1 1 -2  17 16 o 36.71801 13.84914 10.27647       14.10627  -4.034255      
19.05132  27.64379       20.98749  33.45838 14.65794 52.31814 17.11997 
-18.85976      22.53772 
1 1 1 -2  17 17 o 209.9095 7.197537 450.4885       30.72328  450.4885       
30.72328  0.000000       0.000000  209.9095 7.197537 ?        ?        
0.000000       7.197537 
1 1 1 -2  17 18 o 236.4018 7.616499 572.3229       36.61488  573.2096       
50.63967  571.3516       53.00371  235.8080 10.56041 235.2639 11.07898 
0.5441589      15.30575 
1 1 1 -2  17 19 o 145.4737 8.302151 217.9410       24.45807  230.1945       
29.22825  189.3185       44.67101  149.1842 9.686928 132.8772 16.91549 
16.30701       19.49283 
1 1 1 -2  17 20 o 183.1209 6.380308 343.1030       23.75915  334.1852       
33.98374  351.6296       33.22997  179.8561 9.323682 184.8509 8.840096 
-4.994812      12.84828 
1 1 1 -2  17 21 o 182.1469 6.527731 340.0704       24.17885  321.2755       
34.05964  359.1649       34.33007  175.9915 9.552720 186.5005 9.051970 
-10.50908      13.16027 
1 1 1 -2  17 22 o 161.7781 6.898413 269.3886       22.69448  302.1630       
33.32428  241.0410       30.99215  170.0848 9.674809 151.6670 10.10656 
18.41780       13.99087 
1 1 1 -2  17 23 o 73.51673 15.23923 61.48400       22.03432  48.26034       
39.99300  67.24759       26.40309  64.24289 23.48577 75.82574 17.48117 
-11.58286      29.27751 
1 1 1 -2  18 1  o 644.1574 5.707258 4224.125       74.76028  4236.972       
106.0131  4211.417       105.4432  644.7392 8.085822 642.7957 8.066668 
1.943481       11.42154 
1 1 1 -2  18 2  o 450.0882 4.368831 2061.213       39.98658  2084.539       
46.33234  1993.124       79.15964  452.5755 5.034331 442.1152 8.804748 
10.46030       10.14239 
1 1 1 -2  18 3  o 312.6902 3.559624 994.5909       22.63445  988.3374       
26.05906  1013.803       45.67596  311.6824 4.111450 315.4842 7.119652 
-3.801788      8.221524 
1 1 1 -2  18 4  o 338.2700 4.364707 1164.170       30.02410  1178.500       
37.25325  1137.611       50.71730  340.2907 5.383474 334.1907 7.462945 
6.100006       9.202029 
1 1 1 -2  18 5  o 142.5751 3.606247 206.7616       10.45564  194.9930       
14.79014  218.5185       14.78287  138.4292 5.254036 146.5484 4.960509 
-8.119125      7.225756 
1 1 1 -2  18 6  o 765.1496 9.478241 5966.065       147.4774  0.000000       
0.000000  5966.065       147.4774  ?        ?        765.1496 9.478241 
0.000000       9.478241 
1 1 1 -2  18 7  o 358.0469 4.102638 1303.939       29.87132  1280.095       
41.87655  1328.640       42.62218  354.6942 5.805845 361.3574 5.800257 
-6.663239      8.206755 
1 1 1 -2  18 8  o 41.93458 10.89215 18.58837       9.371652  10.93169       
13.40149  25.91598       13.11034  36.89920 13.57925 49.49769 12.89565 
-12.59849      18.72683 
1 1 1 -2  18 9  f 555.9161 5.350846 3144.056       60.48993  3215.695       
86.96983  3076.925       84.18929  562.0482 7.609281 549.7938 7.530184 
12.25446       10.70536 
1 1 1 -2  18 10 o 417.9488 5.340369 1777.279       45.38850  1831.101       
56.77262  1681.942       75.56006  424.1570 6.582045 406.3242 9.144673 
17.83286       11.26714 
1 1 1 -2  18 11 o 613.0857 6.731234 3826.756       83.92035  3908.762       
104.6055  3678.659       140.5747  619.4090 8.304731 600.3514 11.51463 
19.05762       14.19702 
1 1 1 -2  18 12 o 293.4528 8.932166 878.2082       53.30236  878.2082       
53.30236  0.000000       0.000000  293.4528 8.932166 ?        ?        
0.000000       8.932166 
1 1 1 -2  18 13 f 169.1928 5.945873 291.5812       20.45733  298.2991       
25.51397  279.4869       34.23360  171.0513 7.335002 165.0440 10.25070 
6.007248       12.60473 
1 1 1 -2  18 14 o 239.1650 6.634109 583.2795       32.26499  583.2795       
32.26499  0.000000       0.000000  239.1650 6.634109 ?        ?        
0.000000       6.634109 
1 1 1 -2  18 15 o 201.4040 7.037389 414.1162       28.82246  414.1162       
28.82246  0.000000       0.000000  201.4040 7.037389 ?        ?        
0.000000       7.037389 
1 1 1 -2  18 16 o 169.5869 7.678306 294.0983       26.47946  294.0983       
26.47946  0.000000       0.000000  169.5869 7.678306 ?        ?        
0.000000       7.678306 
1 1 1 -2  18 17 o 104.0137 8.642216 111.6703       18.11409  114.3522       
22.42496  106.6347       30.72762  104.8614 10.66476 99.95145 15.62972 
4.909981       18.92156 
1 1 1 -2  18 18 o 178.4754 11.74643 331.0416       42.39374  331.0416       
42.39374  0.000000       0.000000  178.4754 11.74643 ?        ?        
0.000000       11.74643 
1 1 1 -2  18 19 f 119.1696 8.940206 146.8680       21.50739  133.4283       
27.10977  169.6926       35.32908  112.7797 12.00527 126.7068 13.94203 
-13.92706      18.39856 
1 1 1 -2  18 20 o 79.99818 12.54912 68.20168       19.74313  92.42145       
28.12821  44.68268       27.71830  92.44244 15.51254 63.94945 19.52462 
28.49299       24.93692 
1 1 1 -2  18 21 o 160.6676 7.034523 265.1030       22.98341  352.2238       
34.61874  196.4384       30.73386  184.5368 9.225222 136.8660 11.13921 
47.67084       14.46329 
1 1 1 -2  18 22 o 34.29779 14.84587 -0.4032978     19.05219  6.863834       
27.24590  -7.356900      26.65167  43.26631 18.20673 37.74922 16.89258 
5.517090       24.83635 
1 1 1 -2  18 23 o 33.31787 15.58423 -19.72085      26.29464  0.000000       
0.000000  -19.72085      26.29464  ?        ?        33.31787 15.58423 
0.000000       15.58423 
1 1 1 -2  19 1  o 258.6419 3.725018 680.5034       19.59200  652.6599       
23.86720  738.0267       34.30526  253.2616 4.634264 269.2320 6.265887 
-15.97041      7.793443 
1 1 1 -2  19 2  o 140.1323 4.376564 199.7946       12.47162  199.7946       
12.47162  0.000000       0.000000  140.1323 4.376564 ?        ?        
0.000000       4.376564 
1 1 1 -2  19 3  o 165.9155 4.463756 280.0766       15.06048  280.0766       
15.06048  0.000000       0.000000  165.9155 4.463756 ?        ?        
0.000000       4.463756 
1 1 1 -2  19 4  o 202.7175 3.340359 417.9732       13.77006  424.6628       
19.65479  411.5245       19.29773  204.2991 4.730974 201.1142 4.718586 
3.184814       6.681854 
1 1 1 -2  19 5  o 363.1906 3.996928 1341.767       29.51974  1311.419       
41.18069  1373.843       42.33777  358.9836 5.641149 367.4268 5.666381 
-8.443146      7.995651 
1 1 1 -2  19 6  o 375.4037 5.821502 1434.040       44.44112  0.000000       
0.000000  1434.040       44.44112  ?        ?        375.4037 5.821502 
0.000000       5.821502 
1 1 1 -2  19 7  o 596.9576 5.543541 3625.652       67.29491  3633.050       
95.45229  3618.341       94.88897  597.3738 7.857578 596.1663 7.827028 
1.207581       11.09071 
1 1 1 -2  19 8  o 137.7466 4.542996 193.0028       12.72550  187.1805       
17.94906  198.8871       18.04446  135.6235 6.508119 139.8031 6.347106 
-4.179642      9.090730 
1 1 1 -2  19 9  o 269.5723 4.098241 739.1434       22.46592  776.3242       
32.20221  703.8871       31.35783  276.2215 5.732933 263.0149 5.862923 
13.20654       8.200024 
1 1 1 -2  19 10 o 732.1253 6.601967 5456.017       98.29020  5575.584       
141.5629  5344.722       136.5778  739.6794 9.411407 724.2277 9.273708 
15.45166       13.21273 
1 1 1 -2  19 11 o 195.5156 5.494492 389.0472       21.84542  382.4763       
26.26138  403.8081       39.36060  193.8135 6.663188 198.9858 9.727207 
-5.172256      11.79053 
1 1 1 -2  19 12 o 227.4650 6.665161 527.0573       30.83023  522.1746       
42.23377  532.6274       45.10918  226.2206 9.180710 228.4259 9.711094 
-2.205292      13.36379 
1 1 1 -2  19 13 o 243.9763 4.745168 605.9834       23.54239  580.4814       
32.81984  633.0142       33.78926  238.6334 6.763226 249.2064 6.667577 
-10.57304      9.497252 
1 1 1 -2  19 14 o 299.3203 4.592117 912.3240       27.95120  890.2072       
39.44215  934.6367       39.61637  295.4374 6.565135 302.7385 6.435105 
-7.301025      9.193017 
1 1 1 -2  19 15 o 307.4066 4.673026 962.6772       29.21210  968.2675       
41.94739  957.4130       40.70492  307.9869 6.697632 306.2845 6.535374 
1.702332       9.357852 
1 1 1 -2  19 16 f 109.1995 7.327985 122.4535       16.17827  102.5170       
22.21715  144.9583       23.60491  99.16602 11.21435 118.4068 9.893996 
-19.24081      14.95503 
1 1 1 -2  19 17 o 95.77947 8.404295 94.75896       16.20366  108.2317       
23.08559  81.67625       22.74898  101.7985 11.34486 87.82555 13.14154 
13.97292       17.36105 
1 1 1 -2  19 18 o 146.7120 9.539286 222.4763       28.30524  251.0377       
39.58944  192.6081       40.48490  154.9526 12.67498 134.8135 15.02304 
20.13910       19.65571 
1 1 1 -2  19 19 o 39.74439 15.88668 9.061455       19.41861  -5.556563      
24.83926  32.03786       31.14121  37.65439 16.60870 57.85015 20.78528 
-20.19577      26.60595 
1 1 1 -2  19 20 o 166.0170 7.767908 283.1270       26.22455  248.9657       
44.81424  300.9172       32.34001  153.1124 14.56873 170.5153 9.362480 
-17.40289      17.31773 
1 1 1 -2  19 21 f 76.80357 14.61729 64.56963       21.99566  107.1007       
37.41188  42.10184       27.19172  97.24346 19.59608 61.71472 19.42164 
35.52874       27.58997 
1 1 1 -2  19 22 o 90.67348 10.43328 87.34370       18.88696  88.67664       
26.84503  86.03722       26.57738  89.27439 15.34000 87.85814 15.43920 
1.416252       21.76429 
1 1 1 -2  19 23 o 63.62290 16.55185 47.64864       21.61867  48.53691       
38.38280  47.23591       26.16340  63.26488 23.02636 62.55723 18.94013 
0.7076530      29.81513 
1 1 1 -2  20 1  f 668.0319 8.341723 4547.597       113.3194  4531.081       
161.1127  4563.767       159.4165  666.0532 11.89513 668.4936 11.72694 
-2.440369      16.70375 
1 1 1 -2  20 2  o 62.64967 11.10026 41.24804       13.62408  41.24804       
13.62408  0.000000       0.000000  62.64967 11.10026 ?        ?        
0.000000       11.10026 
1 1 1 -2  20 3  o 525.6905 9.955466 2818.137       106.4249  2818.137       
106.4249  0.000000       0.000000  525.6905 9.955466 ?        ?        
0.000000       9.955466 
1 1 1 -2  20 4  o 208.0928 3.946836 440.4771       16.70158  494.7870       
30.99393  418.2535       19.82639  220.4501 6.913770 202.7541 4.808643 
17.69598       8.421595 
1 1 1 -2  20 5  o 598.0591 7.747270 3642.140       94.22025  0.000000       
0.000000  3642.140       94.22025  ?        ?        598.0591 7.747270 
0.000000       7.747270 
1 1 1 -2  20 6  o 47.29490 12.22255 23.67532       11.83998  0.000000       
0.000000  23.67532       11.83998  ?        ?        47.29490 12.22255 
0.000000       12.22255 
1 1 1 -2  20 7  o 301.3632 4.561202 923.8234       27.95252  885.9725       
33.22250  1015.559       51.72041  295.0949 5.536294 315.8279 8.053044 
-20.73300      9.772516 
1 1 1 -2  20 8  o 730.6627 7.529484 5434.656       111.8751  5525.896       
139.0911  5267.464       188.2840  736.5424 9.286459 718.5125 12.88628 
18.02997       15.88378 
1 1 1 -2  20 9  o 236.0190 4.818027 566.6976       23.12425  557.7550       
27.82832  586.6486       41.56565  234.1194 5.845184 239.9992 8.516740 
-5.879791      10.32962 
1 1 1 -2  20 10 o 444.9779 4.808393 2014.567       43.51008  1984.516       
60.94265  2045.810       62.13990  441.5038 6.787901 448.2677 6.816818 
-6.763916      9.620011 
1 1 1 -2  20 11 o 676.2664 6.270134 4656.534       86.22754  4676.966       
122.5672  4636.513       121.3305  677.2696 8.899409 674.3451 8.847824 
2.924500       12.54924 
1 1 1 -2  20 12 o 177.4996 7.372116 321.1598       26.60977  301.2805       
36.16523  344.6260       39.29281  171.3890 10.42620 183.3222 10.58518 
-11.93321      14.85771 
1 1 1 -2  20 13 o 87.97427 8.244798 79.70710       14.57778  66.06142       
20.91388  92.60236       20.33068  79.09528 13.48639 94.49729 10.77242 
-15.40202      17.26059 
1 1 1 -2  20 14 o 151.1856 5.599552 232.9696       17.21532  241.4181       
25.00880  225.3607       23.73352  153.4976 8.039943 148.3108 7.897790 
5.186844       11.27013 
1 1 1 -2  20 15 o 222.4075 4.853133 504.0585       21.94942  533.5947       
31.37117  475.7333       30.72135  228.5952 6.748577 215.8105 7.000293 
12.78461       9.723549 
1 1 1 -2  20 16 o 91.89761 8.317524 87.20493       15.37508  116.7377       
21.90853  58.54475       21.58245  106.0611 10.28730 73.74251 14.90497 
32.31859       18.11040 
1 1 1 -2  20 17 o 101.7996 8.344803 106.9820       17.12297  65.22256       
23.81419  151.6803       24.63790  77.62063 15.62786 120.9600 10.10903 
-43.33939      18.61243 
1 1 1 -2  20 18 o 83.60889 21.35475 78.50249       36.43747  0.000000       
0.000000  78.50249       36.43747  ?        ?        83.60889 21.35475 
0.000000       21.35475 
1 1 1 -2  20 19 o 95.53495 10.80423 95.64053       20.62085  109.8686       
27.12197  76.14820       31.74532  101.7053 13.44319 82.63297 19.24959 
19.07232       23.47906 
1 1 1 -2  20 20 o 47.90357 16.07580 23.30438       18.47307  57.71873       
26.74706  -8.084170      25.54418  71.85760 18.26509 37.19379 16.59851 
34.66382       24.68044 
1 1 1 -2  20 21 o 81.56736 11.82426 71.14873       19.04107  54.72026       
27.09426  87.18039       26.76505  69.33593 18.76062 89.12061 15.32084 
-19.78468      24.22166 
1 1 1 -2  20 22 o 107.1260 9.336738 120.8366       20.13622  109.2351       
28.30635  132.7220       28.65060  99.51129 14.40736 110.6116 12.98440 
-11.10033      19.39501 
1 1 1 -2  20 23 o 100.8253 11.25499 110.5283       22.68252  111.7787       
40.38426  109.9520       27.41543  93.84212 21.60881 98.86214 14.03051 
-5.020027      25.76423 
1 1 1 -2  21 1  o 124.1869 3.535425 156.8676       8.928300  156.7205       
11.31452  157.1103       14.53497  124.1147 4.482924 124.2452 5.752850 
-0.1304626     7.293277 
1 1 1 -2  21 2  o 171.5619 4.429757 299.4419       15.45440  299.4419       
15.45440  0.000000       0.000000  171.5619 4.429757 ?        ?        
0.000000       4.429757 
1 1 1 -2  21 3  o 299.8073 4.087872 914.3410       24.92246  914.3410       
24.92246  0.000000       0.000000  299.8073 4.087872 ?        ?        
0.000000       4.087872 
1 1 1 -2  21 4  o 215.1946 6.702129 471.3933       29.32888  0.000000       
0.000000  471.3933       29.32888  ?        ?        215.1946 6.702129 
0.000000       6.702129 
1 1 1 -2  21 5  o 674.8853 6.961921 4636.311       95.54556  4664.106       
117.8619  4583.031       163.1802  676.7089 8.564857 670.2554 11.97225 
6.453491       14.72045 
1 1 1 -2  21 6  o 552.0712 6.013672 3101.363       67.51283  3027.357       
114.8539  3140.434       83.45267  545.0237 10.36284 555.4268 7.388596 
-10.40308      12.72713 
1 1 1 -2  21 7  o 119.2666 5.443385 144.7212       13.20198  157.5795       
16.61263  122.6819       21.74925  124.2590 6.598095 109.2863 9.893766 
14.97269       11.89208 
1 1 1 -2  21 8  o 1045.658 10.24036 11143.50       217.7492  11376.69       
385.1714  11033.96       263.9817  1053.974 17.97102 1039.914 12.48318 
14.06018       21.88121 
1 1 1 -2  21 9  o 304.6967 4.822769 944.5359       29.88240  933.3265       
51.37909  950.2661       36.73447  302.7013 8.346812 305.5732 5.911628 
-2.871887      10.22823 
1 1 1 -2  21 10 o 324.5529 5.061797 1071.871       33.40733  1132.891       
59.66663  1044.007       40.31973  333.3919 8.800858 320.2428 6.191370 
13.14911       10.76049 
1 1 1 -2  21 11 o 260.7079 5.168494 691.8182       27.40121  697.1533       
47.96955  689.2343       33.38368  261.4266 9.023281 260.1526 6.310365 
1.273956       11.01092 
1 1 1 -2  21 12 o 154.2989 8.142133 243.5838       25.45730  241.2093       
34.98069  246.2574       37.11844  153.1006 11.31587 154.6072 11.89752 
-1.506546      16.41950 
1 1 1 -2  21 13 o 53.25589 14.45040 30.20880       16.04802  -20.42056      
28.88063  52.82434       19.30229  36.81075 16.90533 70.41618 13.97302 
-33.60544      21.93252 
1 1 1 -2  21 14 o 31.57819 13.63425 -1.557222      15.98796  -50.06526      
29.21057  19.18992       19.10348  30.51027 14.83355 45.96140 16.30435 
-15.45112      22.04237 
1 1 1 -2  21 15 o 291.8759 6.638087 870.0366       39.39967  0.000000       
0.000000  870.0366       39.39967  ?        ?        291.8759 6.638087 
0.000000       6.638087 
1 1 1 -2  21 16 o 378.1118 6.926000 1461.707       53.25424  0.000000       
0.000000  1461.707       53.25424  ?        ?        378.1118 6.926000 
0.000000       6.926000 
1 1 1 -2  21 17 o 38.18428 15.15711 8.608703       17.56006  16.80868       
30.29708  4.460598       21.54861  50.46075 19.94743 39.17384 16.31718 
11.28690       25.77111 
1 1 1 -2  21 18 o 66.61808 17.80327 48.93019       24.57950  56.96878       
32.86507  38.72655       37.02730  71.65195 21.12012 63.00573 22.66180 
8.646225       30.97768 
1 1 1 -2  21 19 o 139.4278 9.879799 201.7995       27.83091  209.0186       
43.35644  196.7402       36.29581  139.8772 15.50321 136.5578 13.23659 
3.319489       20.38521 
1 1 1 -2  21 20 o 33.03730 14.89068 -9.167347      21.12557  16.42917       
37.05327  -21.49497      25.71437  53.11672 21.68516 33.29779 15.52034 
19.81893       26.66697 
1 1 1 -2  21 21 o 107.4827 11.29630 122.4478       24.32088  114.1724       
41.85921  126.6651       29.88220  98.86224 21.43882 108.2453 13.89626 
-9.383080      25.54856 
1 1 1 -2  21 22 o 83.44085 13.67113 77.06882       22.39355  83.65359       
41.23080  74.31367       26.67008  81.38432 23.56149 80.29889 16.86926 
1.085434       28.97785 
1 1 1 -2  21 23 o 52.42806 17.80287 32.03334       22.65815  2.920952       
37.70036  48.49513       28.34947  45.64855 20.28142 62.33714 19.85457 
-16.68858      28.38203 
1 1 1 -2  22 1  o 282.7875 3.448105 813.3610       19.82861  823.3974       
28.18635  803.5277       27.89961  284.4808 4.872306 281.0270 4.882010 
3.453766       6.897346 
1 1 1 -2  22 2  o 139.2414 3.295124 197.1900       9.330214  203.2190       
10.57057  175.9277       19.85094  141.3490 3.677516 131.2293 7.469624 
10.11966       8.325828 
1 1 1 -2  22 3  o 582.4709 5.322819 3452.116       63.04743  3416.956       
71.99004  3567.850       130.6112  579.4302 6.109700 591.4755 10.85906 
-12.04523      12.45984 
1 1 1 -2  22 4  o 693.3098 6.133408 4891.794       86.47301  4909.431       
100.0116  4839.560       172.1167  694.4540 7.081991 688.6619 12.29039 
5.792175       14.18479 
1 1 1 -2  22 5  o 148.0525 4.387301 222.9676       13.20884  243.9470       
22.52928  211.9787       16.30526  154.8053 7.156655 144.3391 5.555105 
10.46617       9.059631 
1 1 1 -2  22 6  o 160.7817 3.982676 262.9332       13.02156  268.7116       
18.54977  257.3193       18.28365  162.5110 5.613120 159.0280 5.653765 
3.483002       7.966942 
1 1 1 -2  22 7  o 409.2497 5.095187 1703.923       42.40333  1712.075       
52.11572  1687.957       72.93668  410.1676 6.248215 407.0932 8.810505 
3.074402       10.80117 
1 1 1 -2  22 8  o 542.3521 5.263003 2992.811       58.04520  3029.577       
83.07563  2957.742       81.13537  545.4832 7.489294 538.9858 7.402551 
6.497375       10.53030 
1 1 1 -2  22 9  o 220.9673 4.272134 496.7141       19.19660  492.3481       
26.94292  501.2155       27.35802  219.9368 6.024145 221.9070 6.062645 
-1.970245      8.546695 
1 1 1 -2  22 10 o 167.5815 4.882205 285.7850       16.63771  270.1428       
23.68042  301.0342       23.38100  162.8523 7.150627 171.9310 6.687402 
-9.078720      9.790444 
1 1 1 -2  22 11 o 336.9519 4.568929 1155.493       31.30645  1139.921       
44.65506  1170.545       43.90255  334.5057 6.564713 338.9887 6.368734 
-4.483002      9.146378 
1 1 1 -2  22 12 o 181.3804 7.232905 335.5352       26.67809  0.000000       
0.000000  335.5352       26.67809  ?        ?        181.3804 7.232905 
0.000000       7.232905 
1 1 1 -2  22 13 o 190.0757 5.743042 368.2514       22.19831  336.8784       
37.58565  385.0567       27.50855  181.0294 10.25200 194.2520 6.963873 
-13.22256      12.39351 
1 1 1 -2  22 14 o 344.3174 4.713836 1207.872       33.00538  1151.356       
45.74713  1269.227       47.66525  335.8186 6.698965 352.6005 6.647640 
-16.78192      9.437545 
1 1 1 -2  22 15 f 296.8112 4.672315 897.8398       28.20096  901.6306       
39.91458  894.0613       39.84985  297.0901 6.606812 295.8368 6.624041 
1.253296       9.355634 
1 1 1 -2  22 16 o 109.4386 7.360667 123.1287       16.28571  117.1870       
22.93101  129.1757       23.13326  106.0790 10.78000 111.5306 10.31668 
-5.451561      14.92120 
1 1 1 -2  22 17 o 197.3950 5.370522 397.7976       21.55779  362.5414       
29.49233  438.2480       31.59030  188.0393 7.712748 206.7867 7.512417 
-18.74742      10.76675 
1 1 1 -2  22 18 o 104.0615 10.31909 113.0043       21.54858  101.7877       
25.67494  139.7328       39.63375  97.88952 13.23752 113.2557 17.79577 
-15.36618      22.17930 
1 1 1 -2  22 19 o 80.60992 15.24220 70.73791       24.07011  74.99668       
36.62754  67.50072       31.93373  81.15945 21.75133 77.37923 20.10993 
3.780220       29.62312 
1 1 1 -2  22 20 o 65.76584 14.80279 47.64329       19.31913  58.90817       
28.09963  37.54537       26.60439  72.15701 18.91828 58.99508 19.27379 
13.16192       27.00704 
1 1 1 -2  22 21 o 142.8133 7.505509 211.1508       21.72074  212.8080       
31.13682  209.5799       30.31518  142.0024 10.86514 141.0168 10.65008 
0.9856415      15.21432 
1 1 1 -2  22 22 o 43.89691 15.81295 19.41143       18.03498  -13.49279      
25.27557  53.53976       25.74143  34.26896 15.76646 67.04183 18.34754 
-32.77287      24.19119 
1 1 1 -2  22 23 o 87.40557 16.13731 90.25198       27.62616  132.3885       
39.75881  50.91679       38.41445  102.9938 19.70115 62.61657 22.99841 
40.37721       30.28304 
1 1 1 -2  23 1  o 299.4082 3.534641 911.7725       21.52090  910.8652       
30.46045  912.6768       30.40991  299.2115 5.006182 299.5094 4.992905 
-0.2978821     7.070428 
1 1 1 -2  23 2  o 102.4769 3.729870 106.8130       7.772682  112.0850       
8.769634  87.50033       16.78484  104.9715 4.108268 92.23055 9.066511 
12.74092       9.953868 
1 1 1 -2  23 3  o 176.5773 3.344354 317.1089       12.00877  316.0297       
13.65058  320.8030       25.25600  176.2695 3.808226 177.5218 6.996189 
-1.252319      7.965503 
1 1 1 -2  23 4  o 577.6226 5.320338 3394.653       62.49350  3362.625       
71.43957  3499.048       128.9774  574.8309 6.111492 585.8326 10.82652 
-11.00171      12.43237 
1 1 1 -2  23 5  o 949.7057 9.324803 9188.662       180.0861  9411.748       
318.6388  9083.960       218.2935  959.2209 16.33536 943.8281 11.37356 
15.39282       19.90482 
1 1 1 -2  23 6  o 309.1403 3.924446 972.0414       24.67092  924.4725       
34.08014  1024.416       35.76038  301.4281 5.559892 317.3042 5.542107 
-15.87616      7.850309 
1 1 1 -2  23 7  o 108.5414 6.000794 120.2577       13.19368  101.1936       
16.00323  160.7130       23.31240  99.36620 7.987345 125.2574 9.217090 
-25.89125      12.19641 
1 1 1 -2  23 8  o 834.1343 8.402765 7088.165       142.5311  7223.160       
251.1755  7024.049       173.1000  840.3688 14.69792 829.9604 10.25624 
10.40833       17.92259 
1 1 1 -2  23 9  o 212.1893 8.469774 458.8589       36.54659  458.8589       
36.54659  0.000000       0.000000  212.1893 8.469774 ?        ?        
0.000000       8.469774 
1 1 1 -2  23 10 o 416.3501 5.407853 1764.602       45.78624  1685.543       
77.15925  1807.571       56.88379  406.4461 9.335415 421.2637 6.640229 
-14.81760      11.45612 
1 1 1 -2  23 11 o 226.0662 4.677115 520.2144       21.50132  559.1141       
31.03740  484.3199       29.81438  234.2420 6.515821 217.9966 6.725503 
16.24541       9.364203 
1 1 1 -2  23 12 o 75.21714 11.25661 59.25489       16.68845  77.39684       
29.67075  50.85974       20.18370  84.84872 17.76580 68.94080 14.83662 
15.90793       23.14626 
1 1 1 -2  23 13 o 115.2135 7.710424 136.2268       17.96052  185.5247       
32.77214  115.0639       21.47230  133.7310 12.18466 105.4603 10.13730 
28.27065       15.85026 
1 1 1 -2  23 14 o 127.6207 6.262823 166.2458       16.25335  176.0153       
23.01636  156.5283       22.95517  130.7988 8.702970 123.2190 9.228196 
7.579842       12.68469 
1 1 1 -2  23 15 o 32.40086 13.32966 3.657819       14.13510  6.590576       
19.99335  0.7269955      19.98675  39.07918 15.93883 36.27553 15.44418 
2.803646       22.19390 
1 1 1 -2  23 16 o 288.7873 4.781241 850.5059       28.07826  846.2519       
39.73006  854.7508       39.68729  287.6270 6.792634 289.0782 6.751257 
-1.451294      9.577022 
1 1 1 -2  23 17 o 149.9955 6.162812 230.0664       18.79787  220.2677       
26.11990  240.5942       27.07419  146.0720 8.834891 152.7061 8.755165 
-6.634109      12.43818 
1 1 1 -2  23 18 o 186.5502 6.921446 356.6776       26.25693  350.0429       
31.17945  372.8561       48.68833  184.4836 8.311118 188.5448 12.77406 
-4.061264      15.23979 
1 1 1 -2  23 19 o 135.8402 9.808012 191.8764       26.91105  217.5283       
41.26104  172.8866       35.50109  142.9291 14.39184 127.4691 13.92212 
15.45999       20.02374 
1 1 1 -2  23 20 o 306.3227 5.403910 960.3442       33.66190  937.7299       
47.54129  983.0805       47.66921  301.6547 7.750138 308.9485 7.587531 
-7.293823      10.84598 
1 1 1 -2  23 21 o 87.26659 11.13484 81.46391       19.30948  61.15934       
27.28486  101.8367       27.33064  72.57523 18.44797 96.24933 14.40669 
-23.67410      23.40684 
1 1 1 -2  23 22 f 135.1079 7.583455 190.7529       20.75104  171.9848       
29.53168  209.0574       29.16458  125.9747 11.66023 139.8833 10.32570 
-13.90859      15.57501 
1 1 1 -2  23 23 o 72.08981 15.05627 61.31974       21.35995  46.97173       
26.20630  89.71710       36.86794  60.85448 19.05277 81.78467 21.77949 
-20.93019      28.93707 
1 1 1 -2  24 1  o 184.7242 3.226069 347.0394       12.11850  375.2734       
17.53082  321.2006       16.77072  192.0688 4.488426 177.6903 4.641267 
14.37852       6.456572 
1 1 1 -2  24 2  o 319.3030 3.699989 1036.981       24.02453  1042.426       
27.58314  1019.869       48.89911  320.1237 4.237156 316.4896 7.597839 
3.634094       8.699463 
1 1 1 -2  24 3  o 450.9433 4.469461 2068.573       40.98534  2051.505       
46.86588  2124.069       84.50904  449.0453 5.132336 456.6129 9.101304 
-7.567505      10.44867 
1 1 1 -2  24 4  o 293.4466 4.189087 875.9058       24.99769  883.7329       
30.33192  859.3337       44.13520  294.7271 5.060908 290.5277 7.470439 
4.199371       9.023317 
1 1 1 -2  24 5  o 604.3721 6.412538 3717.480       78.81081  3918.018       
142.5518  3629.203       94.57948  619.8298 11.30964 597.0164 7.790390 
22.81348       13.73310 
1 1 1 -2  24 6  o 185.4205 4.487604 349.7439       16.92091  312.0325       
28.20273  370.9537       21.15063  175.0481 7.922866 190.9379 5.447279 
-15.88985      9.614815 
1 1 1 -2  24 7  o 204.4821 4.641674 425.3855       19.30107  427.4193       
24.08629  421.7361       32.26402  204.9378 5.779583 203.4961 7.796700 
1.441666       9.705262 
1 1 1 -2  24 8  o 485.3046 4.939353 2396.500       48.74564  2394.551       
68.94968  2398.448       68.92383  484.9238 6.992095 485.3191 6.983780 
-0.3953552     9.882438 
1 1 1 -2  24 9  o 401.5222 4.562299 1640.492       37.25158  1632.975       
52.84269  1647.918       52.52217  400.4440 6.489208 402.2786 6.420433 
-1.834656      9.128624 
1 1 1 -2  24 10 o 246.9927 4.377506 620.8275       21.98681  606.7963       
31.03504  634.9659       31.15339  244.0742 6.252866 249.6836 6.135697 
-5.609390      8.760429 
1 1 1 -2  24 11 o 225.7180 4.651638 518.6855       21.35126  554.0770       
31.07691  487.0436       29.38460  233.1463 6.554778 218.5838 6.610744 
14.56244       9.309513 
1 1 1 -2  24 12 o 207.9935 5.526817 440.8622       23.37632  462.0748       
41.83600  431.2330       28.18704  212.4425 9.684057 205.5962 6.741910 
6.846313       11.79976 
1 1 1 -2  24 13 o 182.4433 6.860321 339.8817       25.45210  330.0118       
36.67036  349.0563       35.35508  179.0516 10.11267 184.2990 9.465541 
-5.247421      13.85145 
1 1 1 -2  24 14 o 107.0527 7.010906 117.6333       15.17812  134.2136       
21.77289  101.9586       21.17000  113.9598 9.481413 98.97859 10.68750 
14.98123       14.28705 
1 1 1 -2  24 15 o 290.4803 4.717332 860.2796       27.86535  866.8654       
39.65057  853.8528       39.16895  291.1877 6.696147 289.0013 6.664856 
2.186401       9.447682 
1 1 1 -2  24 16 o 268.0174 4.827198 732.7652       26.30932  740.8033       
37.13091  724.6608       37.28355  269.0558 6.786438 266.0818 6.890498 
2.973969       9.671334 
1 1 1 -2  24 17 o 101.7529 8.283720 107.1075       16.99172  139.4088       
24.08899  75.12120       23.97128  115.6689 10.35061 83.42532 14.66528 
32.24355       17.95009 
1 1 1 -2  24 18 o 100.5739 10.81383 106.0869       21.76904  134.2399       
25.35122  27.04698       42.47765  113.1573 11.16247 59.70825 23.61413 
53.44907       26.11949 
1 1 1 -2  24 19 o 53.82463 18.10511 30.08025       23.43185  -0.1481813     
34.87968  54.94312       31.63299  46.16808 20.03551 69.80346 20.75707 
-23.63538      28.84922 
1 1 1 -2  24 20 o 34.36880 14.83808 -0.2947717     18.93324  -18.57355      
26.75811  18.03199       26.79321  34.69017 16.05321 48.15223 18.84373 
-13.46206      24.75463 
1 1 1 -2  24 21 o 47.73053 15.98990 24.40629       18.27588  8.632561       
25.35868  41.45357       26.36252  42.45468 17.69385 60.01947 19.14930 
-17.56479      26.07236 
1 1 1 -2  24 22 o 101.6294 9.511398 110.3363       19.42830  98.58546       
27.36170  122.2851       27.59125  92.83137 15.00627 104.7824 13.24466 
-11.95107      20.01523 
1 1 1 -2  25 1  o 162.0099 3.684595 266.9609       12.13900  263.5415       
19.64273  269.0737       15.44035  160.9252 6.002419 162.6335 4.668696 
-1.708313      7.604326 
1 1 1 -2  25 2  o 499.6455 4.777038 2539.715       48.53690  2538.558       
55.83897  2543.292       98.17175  499.4870 5.497457 499.5713 9.663569 
-0.8435059E-01 11.11785 
1 1 1 -2  25 3  o 485.8519 4.697159 2401.377       46.40776  2350.922       
52.53176  2580.718       99.03985  480.6812 5.374195 503.2333 9.678080 
-22.55209      11.07010 
1 1 1 -2  25 4  o 496.5363 9.671595 2512.525       97.65636  0.000000       
0.000000  2512.525       97.65636  ?        ?        496.5363 9.671595 
0.000000       9.671595 
1 1 1 -2  25 5  o 210.3787 4.269054 450.2186       18.26354  460.2078       
22.48422  430.8448       31.31262  212.6763 5.198850 205.7050 7.485541 
6.971359       9.113801 
1 1 1 -2  25 6  o 236.3980 3.879833 568.4405       18.65127  556.0449       
26.02690  581.5259       26.74136  233.7594 5.475225 239.0545 5.500916 
-5.295181      7.761325 
1 1 1 -2  25 7  o 71.06084 8.702164 52.22696       12.31224  51.15406       
15.55608  54.02611       20.14431  69.91128 11.32987 71.41189 14.36934 
-1.500610      18.29873 
1 1 1 -2  25 8  o 214.2496 4.268112 467.0244       18.59547  450.7318       
26.02442  484.0207       26.58033  210.4099 6.082241 218.0454 5.994623 
-7.635590      8.539858 
1 1 1 -2  25 9  o 649.8711 6.027077 4300.728       79.64993  4282.157       
112.3140  4319.518       112.9729  647.9702 8.523685 650.7877 8.536573 
-2.817505      12.06343 
1 1 1 -2  25 10 o 160.3967 5.061223 261.9390       16.50829  247.2099       
23.51167  276.2607       23.18428  155.7004 7.425783 164.6261 6.925378 
-8.925659      10.15397 
1 1 1 -2  25 11 o 222.8755 4.657029 505.7944       21.10682  460.1290       
28.97787  557.3998       30.80493  212.4115 6.708679 233.8112 6.478932 
-21.39972      9.326465 
1 1 1 -2  25 12 o 335.3405 5.319223 1146.065       36.27318  1130.603       
62.71343  1153.838       44.46571  332.2779 9.281276 336.2816 6.502356 
-4.003693      11.33237 
1 1 1 -2  25 13 o 133.9737 8.147206 184.3701       22.09085  202.6567       
31.83107  167.3788       30.68291  139.8560 11.28848 126.8455 12.03942 
13.01049       16.50386 
1 1 1 -2  25 14 o 244.1003 4.685573 607.3849       23.25854  615.8820       
32.31429  598.2513       33.50299  245.5185 6.472306 241.9160 6.810320 
3.602493       9.395276 
1 1 1 -2  25 15 o 68.44750 15.15372 50.88783       20.53548  50.88783       
20.53548  0.000000       0.000000  68.44750 15.15372 ?        ?        
0.000000       15.15372 
1 1 1 -2  25 16 o 35.72578 13.85874 8.775945       14.39482  9.299889       
20.28315  8.244263       20.43238  40.50710 16.22055 40.07047 16.19716 
0.4366302      22.92279 
1 1 1 -2  25 17 o 127.0308 7.086419 165.9752       18.23280  171.7616       
25.84669  160.2438       25.72390  128.5253 9.967241 124.0242 10.29251 
4.501106       14.32765 
1 1 1 -2  25 18 o 144.3885 6.893865 213.8383       20.24168  206.1820       
27.68837  222.6274       29.66597  140.8571 9.726038 146.2918 10.03273 
-5.434692      13.97324 
1 1 1 -2  25 19 f 311.6758 7.164372 998.4353       45.40803  1019.604       
66.36211  979.7985       62.26667  313.0897 10.42317 307.2130 9.967004 
5.876678       14.42164 
1 1 1 -2  25 20 o 148.4132 7.333709 227.2071       22.13337  212.0301       
31.47428  242.0551       31.13117  141.7242 11.00730 151.8919 10.13704 
-10.16766      14.96397 
1 1 1 -2  25 21 o 137.3303 7.528178 196.3256       20.94350  151.2727       
28.80788  246.8326       30.50182  118.2688 12.15089 152.7951 9.869438 
-34.52637      15.65407 
1 1 1 -2  25 22 o 72.68217 12.41137 59.22972       17.68561  53.25308       
24.89059  65.32365       25.13364  65.75926 18.06050 73.55862 17.12295 
-7.799355      24.88729 
1 1 1 -2  26 1  o 192.3285 3.343726 376.2109       13.07753  393.2338       
18.72803  360.0117       18.26935  196.6050 4.684317 188.1147 4.775831 
8.490326       6.689648 
1 1 1 -2  26 2  o 384.6888 4.085461 1505.302       31.95966  1472.438       
36.15682  1622.717       68.34209  380.4416 4.673593 399.1371 8.420052 
-18.69547      9.630147 
1 1 1 -2  26 3  o 278.7402 4.106870 790.3286       23.27888  759.1320       
27.43624  870.5103       43.98543  273.1572 4.939244 292.3971 7.397490 
-19.23984      8.894885 
1 1 1 -2  26 4  o 298.0410 7.604419 904.5485       46.08860  0.000000       
0.000000  904.5485       46.08860  ?        ?        298.0410 7.604419 
0.000000       7.604419 
1 1 1 -2  26 5  o 383.2939 8.501849 1496.772       66.26691  0.000000       
0.000000  1496.772       66.26691  ?        ?        383.2939 8.501849 
0.000000       8.501849 
1 1 1 -2  26 6  o 268.8331 3.933974 735.1775       21.50630  732.8681       
30.13760  737.5737       30.69918  268.3491 5.522772 269.2053 5.607790 
-0.8562622     7.870726 
1 1 1 -2  26 7  o 305.5509 4.701058 949.9917       29.20994  927.8384       
35.69599  994.8904       50.81800  301.9063 5.814278 312.4625 7.997759 
-10.55618      9.887870 
1 1 1 -2  26 8  o 580.9648 5.532143 3436.030       65.35738  3458.058       
92.98892  3414.523       91.87966  582.4601 7.850794 578.7902 7.806327 
3.669922       11.07130 
1 1 1 -2  26 9  o 212.5737 4.434962 459.8940       19.17127  456.9777       
26.98578  462.8658       27.24055  211.7973 6.265606 213.1562 6.284438 
-1.358887      8.874230 
1 1 1 -2  26 10 o 83.68735 8.091726 72.15351       13.59873  80.97944       
19.64915  64.04002       18.83941  88.21593 11.20615 78.08862 12.26842 
10.12732       16.61601 
1 1 1 -2  26 11 o 191.4663 5.621072 373.6348       21.88582  374.1971       
26.41669  372.4041       39.08102  191.5057 6.783366 190.3754 10.13140 
1.130295       12.19259 
1 1 1 -2  26 12 o 23.07779 10.86878 -14.35165      13.17345  -10.97542      
18.80823  -17.60292      18.45688  30.54525 13.88050 27.99499 13.08224 
2.550259       19.07388 
1 1 1 -2  26 13 o 92.81402 10.62742 89.78017       19.69672  55.54151       
28.77791  119.9552       27.01621  71.26431 19.35664 106.9772 12.66470 
-35.71288      23.13167 
1 1 1 -2  26 14 o 105.6482 7.234718 114.7551       15.44943  104.3720       
20.65713  127.9353       23.27377  100.1491 10.28940 110.9474 10.43841 
-10.79832      14.65715 
1 1 1 -2  26 15 o 101.4277 7.496934 105.9961       15.35336  99.78696       
21.18150  112.8699       22.28648  97.68471 10.84609 104.0001 10.69012 
-6.315376      15.22880 
1 1 1 -2  26 16 o 105.8769 7.598829 115.6179       16.25179  100.9506       
23.06312  130.0843       22.90471  97.88009 11.82685 111.7347 10.19276 
-13.85461      15.61303 
1 1 1 -2  26 17 o 120.5133 7.288693 149.6146       17.77821  120.1707       
25.30556  178.3102       24.98194  106.7632 11.85605 131.0544 9.437130 
-24.29124      15.15340 
1 1 1 -2  26 18 o 82.21786 10.59578 71.31546       17.30312  90.62529       
24.34642  51.60751       24.59611  91.94355 13.41670 67.94841 17.64408 
23.99514       22.16577 
1 1 1 -2  26 19 f 65.66890 17.47944 48.57026       23.75432  81.45464       
37.09534  25.71281       30.92704  83.57566 21.65194 53.79296 20.45401 
29.78270       29.78545 
1 1 1 -2  26 20 o 74.16446 13.29914 60.36905       19.32036  65.79186       
27.87198  55.35329       26.80546  75.38439 18.35365 69.05116 18.65065 
6.333229       26.16683 
1 1 1 -2  26 21 o 112.8806 8.620787 134.2390       19.63909  133.5423       
27.51986  134.9620       28.03503  110.5467 12.45917 111.0268 12.64260 
-0.4800568     17.75011 
1 1 1 -2  26 22 o 38.36805 15.09194 12.53300       17.26253  11.07171       
24.99734  13.86519       23.86763  41.71230 17.49003 42.39343 17.36683 
-0.6811333     24.64768 
1 1 1 -2  27 1  o 594.0438 6.224833 3591.836       75.19650  3494.621       
126.3185  3645.195       93.58515  585.3617 10.61185 598.2738 7.692288 
-12.91211      13.10659 
1 1 1 -2  27 2  o 241.5203 4.018954 593.3633       19.73868  586.8041       
23.57372  608.7486       36.10398  240.1581 4.827024 244.5090 7.261208 
-4.350845      8.719249 
1 1 1 -2  27 3  o 376.1068 4.665208 1439.158       35.68073  1401.416       
42.43292  1530.258       65.92509  371.0912 5.623035 387.5669 8.364744 
-16.47565      10.07906 
1 1 1 -2  27 4  o 491.4576 5.506052 2457.987       55.02726  2403.238       
65.82912  2584.977       100.2564  485.8532 6.662873 503.5096 9.791579 
-17.65640      11.84352 
1 1 1 -2  27 5  o 268.4971 4.375047 733.4378       23.88767  732.5388       
29.10584  735.2929       41.81030  268.2930 5.334815 268.6692 7.652688 
-0.3761902     9.328659 
1 1 1 -2  27 6  o 264.6324 3.984788 712.4401       21.44370  696.3434       
29.88073  729.5331       30.79172  261.5543 5.617951 267.7129 5.656050 
-6.158661      7.971968 
1 1 1 -2  27 7  o 278.7653 4.124846 790.6648       23.38287  800.0234       
33.10691  781.3497       33.02996  280.3171 5.807879 277.0228 5.863287 
3.294373       8.252854 
1 1 1 -2  27 8  o 297.9350 4.231636 903.2909       25.63783  882.6423       
35.35649  926.1868       37.23080  294.3935 5.905947 301.5540 6.071359 
-7.160492      8.470042 
1 1 1 -2  27 9  o 298.1103 6.019588 905.4657       36.49179  905.4657       
36.49179  0.000000       0.000000  298.1103 6.019588 ?        ?        
0.000000       6.019588 
1 1 1 -2  27 10 o 325.5592 4.407668 1079.131       29.18033  1133.358       
42.20778  1029.482       40.38687  333.4125 6.225285 317.7628 6.250082 
15.64972       8.821434 
1 1 1 -2  27 11 o 46.09457 14.69883 21.60966       15.53425  5.229388       
18.22162  65.18342       29.71932  37.07024 15.17886 77.38088 19.02100 
-40.31064      24.33508 
1 1 1 -2  27 12 o 213.0506 4.658722 462.5449       20.18371  464.5877       
28.87967  460.5944       28.21992  213.2733 6.658927 212.3726 6.534402 
0.9007111      9.329509 
1 1 1 -2  27 13 o 313.0903 6.416669 1001.599       40.85364  1022.983       
58.90804  981.7846       56.70637  315.6069 9.178606 309.2401 9.017468 
6.366791       12.86707 
1 1 1 -2  27 14 o 109.7682 6.741285 123.7196       14.97490  145.3800       
20.99228  101.2766       21.36815  118.6469 8.762653 98.45412 10.85322 
20.19277       13.94907 
1 1 1 -2  27 15 o 156.9258 5.619283 251.5970       17.93192  257.0012       
24.90664  245.7810       25.83812  158.2611 7.739087 154.4581 8.256089 
3.802917       11.31620 
1 1 1 -2  27 16 o 211.4997 5.228039 456.9823       22.48537  449.2296       
31.25873  465.2952       32.36852  209.2162 7.347247 212.8892 7.476835 
-3.672989      10.48261 
1 1 1 -2  27 17 o 92.11691 9.454370 88.62274       17.45910  89.88449       
23.79454  87.15118       25.69683  91.68523 13.13775 89.76385 14.57766 
1.921371       19.62418 
1 1 1 -2  27 18 o 29.55254 13.29008 -7.077106      16.71780  -12.18003      
23.62980  -1.963161      23.65531  34.15628 15.53564 37.72695 16.43557 
-3.570671      22.61601 
1 1 1 -2  27 19 o 173.9898 7.353304 311.9898       26.01704  270.5336       
42.75516  336.3671       32.78585  159.1104 13.33717 180.0769 8.953173 
-20.96658      16.06361 
1 1 1 -2  27 20 o 102.3417 9.269323 110.3316       19.08155  103.5588       
26.75962  117.3380       27.21696  97.04694 13.96150 103.7966 13.19255 
-6.749702      19.20851 
1 1 1 -2  27 21 o 91.30643 10.52625 90.09250       19.18663  36.21381       
26.79688  146.7704       27.48416  55.64691 19.34361 115.9648 11.82004 
-60.31792      22.66912 
1 1 1 -2  27 22 o 101.9363 9.091895 111.8524       18.64884  128.1857       
27.12704  97.21583       25.67937  106.4352 12.78936 91.43963 14.27671 
14.99560       19.16748 
1 1 1 -2  28 1  o 332.2191 4.355661 1122.852       29.42592  1116.274       
49.51929  1126.443       36.58603  331.0670 7.355415 332.6977 5.407717 
-1.630768      9.129378 
1 1 1 -2  28 2  o 862.4258 8.531875 7579.486       149.6296  7502.152       
180.9823  7746.521       265.9850  857.5540 10.37823 869.8257 15.03743 
-12.27173      18.27106 
1 1 1 -2  28 3  o 233.8997 4.127025 556.5654       19.62990  544.6840       
23.38093  584.9431       36.13400  231.3614 4.969578 239.6438 7.414782 
-8.282425      8.926124 
1 1 1 -2  28 4  o 303.0453 4.497519 934.3986       27.71610  955.9199       
34.31675  894.0225       47.00390  306.4634 5.506506 296.2232 7.803032 
10.24017       9.550336 
1 1 1 -2  28 5  o 537.1885 5.931604 2937.851       64.79631  2908.483       
78.50526  3000.616       114.7682  534.3318 7.224975 542.1769 10.40948 
-7.845093      12.67113 
1 1 1 -2  28 6  o 291.5970 3.986648 865.0997       23.63972  886.8199       
27.61352  805.5027       45.74050  295.2036 4.599903 281.1009 8.001791 
14.10266       9.229721 
1 1 1 -2  28 7  o 591.7734 5.608508 3565.855       67.49229  3526.306       
94.56355  3606.921       96.35880  588.0608 7.907700 594.7315 7.967444 
-6.670715      11.22550 
1 1 1 -2  28 8  o 269.1630 4.210035 737.3512       23.04371  712.7776       
31.84299  764.3696       33.38945  264.5142 5.919887 273.9133 5.994387 
-9.399109      8.424829 
1 1 1 -2  28 9  o 222.9324 4.384153 505.9667       19.87515  503.2339       
28.03860  508.7266       28.17732  222.1875 6.205622 223.3970 6.202559 
-1.209579      8.773909 
1 1 1 -2  28 10 o 180.2039 4.748896 330.7824       17.40236  329.8705       
24.54033  331.7049       24.68159  179.7918 6.712110 180.2891 6.732127 
-0.4972382     9.506521 
1 1 1 -2  28 11 o 229.4351 5.378241 536.7307       25.09294  524.1299       
29.90073  566.7391       46.14281  226.5816 6.489419 235.0330 9.654368 
-8.451401      11.63269 
1 1 1 -2  28 12 o 155.4126 5.315065 246.3702       16.79757  251.9640       
24.24895  241.2097       23.29071  156.9046 7.599862 153.5380 7.459599 
3.366684       10.64911 
1 1 1 -2  28 13 o 214.3212 5.377219 468.7983       23.43551  481.3303       
29.39561  446.9396       38.82263  216.9490 6.663056 208.5228 9.155458 
8.426224       11.32337 
1 1 1 -2  28 14 o 111.8858 6.968517 128.6734       15.77633  147.2318       
22.06456  109.2618       22.56608  119.2633 9.168017 102.1936 11.03386 
17.06969       14.34569 
1 1 1 -2  28 15 o 164.7148 5.597610 277.2916       18.74937  266.6385       
26.31706  288.2725       26.71874  161.0792 8.034272 167.5282 7.842899 
-6.449005      11.22767 
1 1 1 -2  28 16 o 82.76865 10.03696 71.93715       16.54799  87.11681       
22.60098  54.39584       24.29557  90.43381 12.63487 69.91572 17.20527 
20.51809       21.34622 
1 1 1 -2  28 17 o 23.91933 11.46436 -21.80814      15.99200  -34.38210      
22.79423  -9.619688      22.44209  27.66355 13.36691 34.00397 15.33504 
-6.340425      20.34301 
1 1 1 -2  28 18 o 59.32197 14.80784 38.95567       17.80731  12.43435       
24.50202  68.64655       25.92484  44.38140 17.80807 78.40604 16.76739 
-34.02464      24.45962 
1 1 1 -2  28 19 o 95.40218 11.61051 97.24712       22.06033  34.90861       
35.86139  135.1984       27.98094  59.04781 22.11954 112.3118 12.46146 
-53.26401      25.38822 
1 1 1 -2  28 20 o 70.45502 13.46861 55.31682       18.59345  85.63401       
26.70645  26.79810       25.90220  86.89261 15.69153 51.15425 18.87021 
35.73836       24.54198 
1 1 1 -2  28 21 o 53.07689 15.41172 33.14580       17.61748  36.37626       
24.61846  29.75493       25.22226  55.06542 18.55771 51.29663 18.66658 
3.768787       26.32166 
1 1 1 -2  28 22 o 40.31298 15.20336 16.71918       16.99867  -9.194932      
24.33068  41.42987       23.75901  33.55066 15.44820 56.77758 18.18594 
-23.22692      23.86158 
1 1 1 -2  29 1  o 539.5140 5.820675 2963.092       63.85979  3032.853       
111.5476  2929.082       77.88613  545.1820 10.06160 536.2470 7.142394 
8.934998       12.33895 
1 1 1 -2  29 2  o 337.0815 4.491091 1156.120       30.78493  1097.196       
36.06208  1314.422       59.10830  328.3266 5.401237 359.1294 8.093681 
-30.80273      9.730418 
1 1 1 -2  29 3  o 251.9869 3.702523 645.9463       18.97261  643.4537       
21.71807  653.9777       38.98462  251.4803 4.246840 253.3459 7.567073 
-1.865631      8.677341 
1 1 1 -2  29 4  o 359.0291 4.088952 1311.484       29.85335  1302.496       
34.17202  1340.455       61.34970  357.7594 4.697082 362.6027 8.320128 
-4.843262      9.554430 
1 1 1 -2  29 5  o 710.5690 6.337422 5142.445       91.57361  5189.240       
106.5138  5009.850       179.2956  713.5885 7.340179 699.6011 12.60282 
13.98743       14.58456 
1 1 1 -2  29 6  o 349.7869 4.857533 1245.407       34.55180  1190.428       
41.42190  1371.157       62.64518  341.8832 5.958004 366.6159 8.402818 
-24.73270      10.30074 
1 1 1 -2  29 7  o 707.0198 6.389866 5093.876       91.87024  4939.556       
126.5004  5266.112       133.6418  695.4886 8.944386 718.0370 9.152590 
-22.54840      12.79734 
1 1 1 -2  29 8  o 260.1763 4.223507 689.0610       22.34562  675.6133       
31.16207  703.2948       32.06002  257.4789 5.951594 262.6956 6.001497 
-5.216736      8.452186 
1 1 1 -2  29 9  o 306.8467 4.294447 958.7020       26.79663  942.5930       
37.26683  975.9470       38.55848  304.0478 6.027389 309.3657 6.129096 
-5.317902      8.596233 
1 1 1 -2  29 10 o 161.8515 5.058500 266.9823       16.64907  259.5764       
23.21694  274.8225       23.88809  159.4018 7.162428 164.0163 7.162144 
-4.614471      10.12900 
1 1 1 -2  29 11 o 37.92125 14.32713 11.01052       15.11296  11.19803       
17.42649  10.44160       30.35407  39.72246 15.29331 48.02164 19.61865 
-8.299183      24.87523 
1 1 1 -2  29 12 o 197.0126 4.775850 395.7803       19.13358  366.0770       
26.31387  429.1036       27.87117  189.1913 6.839623 204.8570 6.690415 
-15.66574      9.567763 
1 1 1 -2  29 13 o 218.0947 5.363333 485.6002       23.78654  497.0488       
29.77523  465.4058       39.54513  220.4117 6.643073 212.6900 9.143122 
7.721695       11.30164 
1 1 1 -2  29 14 o 55.99180 12.50972 33.89899       13.88474  37.74369       
19.27553  29.75263       20.01744  58.75587 15.79281 53.02078 16.66016 
5.735088       22.95591 
1 1 1 -2  29 15 o 214.8237 5.033700 471.3678       21.98978  462.8749       
30.78813  480.2116       31.41793  212.3959 7.128295 216.3332 7.141723 
-3.937317      10.09043 
1 1 1 -2  29 16 o 183.6075 7.827510 346.9672       29.22574  346.9672       
29.22574  0.000000       0.000000  183.6075 7.827510 ?        ?        
0.000000       7.827510 
1 1 1 -2  29 17 o 45.48827 15.27416 21.10406       16.67674  25.99850       
23.55490  16.18497       23.61415  51.22874 18.11187 45.80371 17.75532 
5.425034       25.36319 
1 1 1 -2  29 18 f 36.80827 14.88881 7.403282       17.27766  23.81104       
24.57860  -8.624714      24.29250  50.11752 18.39797 35.68097 16.03568 
14.43656       24.40550 
1 1 1 -2  29 19 o 44.49412 16.76553 17.74290       20.66077  -0.2009114     
35.30930  27.08529       25.47773  45.33498 19.90571 51.70969 18.76942 
-6.374714      27.35925 
1 1 1 -2  29 20 o 45.76775 15.81734 22.42155       17.90492  23.05835       
24.90760  21.74061       25.75649  48.45071 18.37184 48.08674 18.57037 
0.3639679      26.12246 
1 1 1 -2  29 21 o 96.01968 9.474430 99.42116       18.25851  108.7702       
25.93433  90.23315       25.71000  97.84500 13.38524 87.92020 14.91303 
9.924805       20.03904 
1 1 1 -2  30 1  o 237.2660 3.562970 572.6885       17.19092  583.3434       
24.33532  562.0750       24.28803  239.4028 4.998693 234.9939 5.082580 
4.408844       7.128783 
1 1 1 -2  30 2  o 47.79593 9.177563 24.09011       8.595822  19.85097       
9.722706  39.26353       18.39458  43.25300 11.02210 60.67219 14.99507 
-17.41919      18.61018 
1 1 1 -2  30 3  o 354.1136 4.751946 1276.225       34.21886  1339.698       
43.12067  1168.269       56.23559  362.7227 5.846007 338.4855 8.169957 
24.23724       10.04609 
1 1 1 -2  30 4  o 275.5649 3.843653 772.6127       21.53870  786.6613       
24.95967  731.6408       42.62503  278.0291 4.414660 267.8753 7.824934 
10.15381       8.984365 
1 1 1 -2  30 5  o 363.1146 4.166207 1341.785       30.76352  1320.731       
35.16478  1410.454       63.50666  360.2037 4.800742 371.7998 8.399601 
-11.59613      9.674731 
1 1 1 -2  30 6  o 53.01765 11.74637 29.92020       12.33083  17.23359       
15.74057  50.07341       19.83901  42.96684 14.83163 68.48787 14.68552 
-25.52103      20.87203 
1 1 1 -2  30 7  o 124.3764 7.226587 158.3472       18.19894  158.3472       
18.19894  0.000000       0.000000  124.3764 7.226587 ?        ?        
0.000000       7.226587 
1 1 1 -2  30 8  o 130.2806 5.481065 172.9697       14.52098  178.6698       
20.08249  166.7243       21.02120  132.0673 7.508762 127.4752 8.151925 
4.592125       11.08311 
1 1 1 -2  30 9  o 100.3695 6.497651 103.2427       13.19085  88.79616       
18.24301  119.0710       19.09554  92.54088 9.845392 107.4889 8.813620 
-14.94798      13.21407 
1 1 1 -2  30 10 o 279.8711 4.380251 798.0186       24.92921  792.2119       
34.98350  804.0093       35.53339  278.5742 6.175483 280.6314 6.226572 
-2.057251      8.769651 
1 1 1 -2  30 11 f 215.1212 5.412287 472.2088       23.67638  450.5746       
27.89637  527.9323       44.77105  209.9650 6.533552 226.5666 9.717397 
-16.60162      11.70962 
1 1 1 -2  30 12 f 161.0141 5.210142 264.5933       17.05944  273.9410       
23.79436  254.7062       24.47128  163.5627 7.153824 157.6390 7.633814 
5.923706       10.46195 
1 1 1 -2  30 13 o 63.46132 12.02594 43.16117       14.95149  48.06868       
18.83429  34.79836       24.58637  66.50874 14.34720 57.42968 18.51094 
9.079067       23.42001 
1 1 1 -2  30 14 o 168.6989 5.294010 290.7695       18.16136  322.3562       
25.55957  258.5600       25.81036  177.2863 7.089686 158.3852 8.039973 
18.90109       10.71937 
1 1 1 -2  30 15 o 263.2404 4.896676 707.8654       26.21232  778.2233       
38.20975  645.3192       36.02617  275.4109 6.822470 250.7116 7.066303 
24.69930       9.822359 
1 1 1 -2  30 16 o 116.3975 7.451683 139.9373       17.54541  123.9331       
24.00217  158.3026       25.71187  108.4865 11.03342 122.9623 10.37979 
-14.47581      15.14847 
1 1 1 -2  30 17 o 42.13031 16.28413 13.63439       19.81833  76.68183       
34.40828  -17.66492      24.24358  81.39037 20.73184 32.94672 15.25835 
48.44365       25.74153 
1 1 1 -2  30 18 o 138.5925 7.271104 198.6199       20.42082  240.0062       
29.11405  158.5414       28.65034  151.5198 9.496904 122.1367 11.67772 
29.38313       15.05192 
1 1 1 -2  30 19 o 31.24490 13.83810 -3.601739      17.41677  -13.13294      
24.06571  6.880777       25.23816  33.62998 15.43990 41.55245 17.50628 
-7.922470      23.34224 
1 1 1 -2  30 20 o 64.83082 13.70079 47.93788       17.49709  58.85435       
23.67383  34.79580       25.97523  70.32067 16.78755 54.64572 19.04197 
15.67495       25.38539 
1 1 1 -2  30 21 o 26.10717 12.21650 -12.27340      16.18671  11.79138       
22.77138  -36.85258      23.01347  40.45212 16.80530 26.23077 12.84214 
14.22135       21.15038 
1 1 1 -2  31 1  o 270.1134 3.664048 742.3271       20.12606  811.1501       
29.58674  683.0536       27.45748  282.2679 5.154472 259.0191 5.212875 
23.24875       7.330937 
1 1 1 -2  31 2  o 434.1601 4.462563 1918.420       39.39905  1959.047       
45.94234  1805.484       76.59859  438.6625 5.150284 420.5686 8.956380 
18.09393       10.33161 
1 1 1 -2  31 3  o 268.7959 3.806054 735.1657       20.80411  722.8572       
23.72426  776.1353       43.28334  266.5048 4.377601 275.8701 7.715511 
-9.365356      8.870879 
1 1 1 -2  31 4  o 83.61229 6.738536 71.71546       11.36016  77.11356       
14.01984  61.39523       19.38507  86.56539 8.056802 76.33275 12.95127 
10.23264       15.25279 
1 1 1 -2  31 5  o 172.0758 4.096159 301.3641       14.33336  298.6312       
16.69137  309.0391       27.97133  171.2625 4.792679 174.0185 7.904350 
-2.756073      9.243836 
1 1 1 -2  31 6  o 163.4507 5.032713 272.0993       16.72786  269.1605       
20.90452  277.3312       27.89235  162.4862 6.326628 164.5611 8.362514 
-2.074982      10.48608 
1 1 1 -2  31 7  o 317.7065 4.124249 1027.634       26.64541  1023.032       
30.76173  1041.461       53.32072  316.9245 4.773133 319.2223 8.213939 
-2.297791      9.500084 
1 1 1 -2  31 8  o 168.4490 4.724959 289.0814       16.18519  313.4090       
22.66999  263.7890       23.11514  175.2527 6.361146 160.7138 7.072807 
14.53885       9.512559 
1 1 1 -2  31 9  o 66.92683 9.516348 46.86113       12.58677  62.00568       
17.45487  30.45516       18.16725  76.74946 11.54105 53.53589 15.68068 
23.21357       19.46996 
1 1 1 -2  31 10 o 186.9697 4.701028 356.3741       17.87374  320.9828       
24.58590  396.0464       26.03050  177.1857 6.823478 196.8662 6.502195 
-19.68044      9.425412 
1 1 1 -2  31 11 o 245.9288 5.186347 617.1959       25.93716  592.7321       
43.80336  630.4043       32.18631  240.1374 8.970078 248.3160 6.374045 
-8.178604      11.00412 
1 1 1 -2  31 12 o 113.0278 7.439409 131.5371       17.00360  111.8713       
28.33429  142.6052       21.25663  102.5366 13.95102 117.3835 8.973008 
-14.84690      16.58752 
1 1 1 -2  31 13 o 51.14215 13.26227 28.38997       13.90864  50.91893       
19.34697  4.292015       20.00932  68.39567 14.36711 37.70064 15.71525 
30.69503       21.29280 
1 1 1 -2  31 14 o 237.8322 4.806328 577.6373       23.24532  565.1841       
31.96379  591.6170       33.86634  234.7750 6.695067 240.1286 6.935422 
-5.353592      9.639709 
1 1 1 -2  31 15 o 113.4386 10.13679 134.6593       23.13737  134.6593       
23.13737  0.000000       0.000000  113.4386 10.13679 ?        ?        
0.000000       10.13679 
1 1 1 -2  31 16 o 114.7190 7.730715 136.2223       17.92945  119.9359       
25.11115  153.1600       25.60832  106.3394 11.81196 120.7910 10.53079 
-14.45159      15.82466 
1 1 1 -2  31 17 o 95.34351 16.04125 100.5200       29.99719  84.41724       
37.36823  129.7006       50.30372  84.73070 21.61737 103.8495 24.25842 
-19.11885      32.49280 
1 1 1 -2  31 18 o 124.1873 7.917078 160.3871       19.88953  180.9800       
28.41334  140.6011       27.85118  130.7408 10.78331 114.5151 12.14534 
16.22576       16.24158 
1 1 1 -2  31 19 o 68.42900 13.38157 52.37786       17.95364  37.29538       
24.64287  69.43976       26.21009  56.78567 18.54955 77.08235 17.16200 
-20.29668      25.27094 
1 1 1 -2  31 20 o 30.89228 13.63520 -1.670110      16.76896  -14.09455      
22.63575  13.44254       24.96472  31.45868 14.62916 42.91526 17.69193 
-11.45658      22.95684 
1 1 1 -2  31 21 o 52.84708 14.83686 34.05935       16.59856  39.75110       
23.72387  28.60130       23.23170  55.39106 18.20556 48.70105 17.88544 
6.690014       25.52119 
1 1 1 -2  32 1  o 56.00128 7.528697 32.56131       8.356522  31.28766       
11.24428  34.13263       12.48935  54.38584 10.54767 56.75984 11.21820 
-2.373997      15.39810 
1 1 1 -2  32 2  o 290.9094 3.836383 861.2098       22.69505  860.5536       
26.03989  863.2834       46.28733  290.7590 4.404074 290.8661 7.825601 
-0.1070862     8.979750 
1 1 1 -2  32 3  o 309.6506 3.939524 975.8278       24.80659  967.4317       
28.39137  1002.921       51.00054  308.2690 4.529029 313.4602 8.000938 
-5.191193      9.193863 
1 1 1 -2  32 4  o 485.2296 5.561979 2398.754       54.88177  2402.736       
67.21330  2390.790       95.06613  485.3900 6.809464 483.4463 9.669992 
1.943695       11.82698 
1 1 1 -2  32 5  o 198.1698 3.933695 399.7362       15.85220  388.2057       
18.27620  434.7616       31.85306  195.2511 4.603000 206.3611 7.590528 
-11.10992      8.877147 
1 1 1 -2  32 6  o 187.7071 4.795867 358.9015       18.30625  349.0195       
22.75144  377.0466       30.82945  185.0054 6.047459 192.0947 7.892214 
-7.089310      9.942777 
1 1 1 -2  32 7  o 250.9715 4.703600 641.7088       24.00525  614.2341       
29.35030  697.2244       41.72083  245.4020 5.881431 261.1361 7.856598 
-15.73415      9.814141 
1 1 1 -2  32 8  o 43.52833 12.55548 20.01385       11.72738  10.46424       
15.70936  32.03531       17.62560  38.02417 14.54912 54.67426 15.26755 
-16.65010      21.08969 
1 1 1 -2  32 9  o 58.01421 10.56514 35.71266       12.00490  29.52753       
16.37537  42.89922       17.65133  52.47435 14.73837 63.02257 14.12289 
-10.54823      20.41263 
1 1 1 -2  32 10 o 59.65889 10.90427 37.86521       12.74140  21.18634       
17.38792  57.20641       18.72432  46.24928 15.59611 73.14454 13.06801 
-26.89526      20.34727 
1 1 1 -2  32 11 o 167.7103 5.901813 287.4821       20.12782  251.0648       
33.23142  308.5829       25.29562  155.4950 10.57227 173.5415 7.167878 
-18.04652      12.77307 
1 1 1 -2  32 12 o 55.26503 14.14715 33.28437       15.96656  16.89670       
26.82389  42.27665       19.87001  48.29916 18.86745 62.04687 15.72731 
-13.74770      24.56275 
1 1 1 -2  32 13 o 106.0032 7.059093 115.7982       15.12965  101.7434       
20.81511  131.5410       22.02961  98.49601 10.55674 112.3625 9.737542 
-13.86645      14.36191 
1 1 1 -2  32 14 o 169.2449 5.498408 293.0607       18.92361  270.3432       
25.82274  319.4129       27.81188  162.0347 7.836873 176.1476 7.764297 
-14.11292      11.03181 
1 1 1 -2  32 15 f 104.9737 7.926471 114.2574       16.79569  126.6589       
23.54143  101.4006       23.96974  109.7180 10.68690 97.49043 12.36892 
12.22759       16.34625 
1 1 1 -2  32 16 o 92.77985 9.074808 90.07575       16.90232  83.29087       
24.12740  96.61449       23.68568  87.49549 14.03487 94.93776 12.57832 
-7.442268      18.84653 
1 1 1 -2  32 17 o 121.2306 12.50847 157.2791       30.39359  110.3038       
37.91831  241.6995       50.83207  97.69612 19.76502 147.4888 17.27562 
-49.79266      26.25077 
1 1 1 -2  32 18 o 103.4708 9.210014 112.7919       19.17631  94.67529       
27.40967  130.1609       26.83816  92.03077 15.17501 109.8188 12.22529 
-17.78801      19.48688 
1 1 1 -2  32 19 o 86.82627 10.82530 81.68733       18.69842  111.0593       
25.67200  48.49842       27.28915  100.2197 12.89585 63.05166 19.39378 
37.16801       23.28994 
1 1 1 -2  32 20 o 133.8657 10.11677 194.5654       27.33658  194.5654       
27.33658  0.000000       0.000000  133.8657 10.11677 ?        ?        
0.000000       10.11677 
1 1 1 -2  32 21 o 50.01372 15.29435 31.13841       16.99997  29.10059       
24.38614  33.06499       23.71123  48.48590 18.22520 50.67630 18.14446 
-2.190395      25.71730 
1 1 1 -2  33 1  o 205.5969 3.617960 430.1792       15.12626  408.6795       
20.84967  454.0699       21.97847  200.3022 5.118729 211.1327 5.119065 
-10.83054      7.239213 
1 1 1 -2  33 2  o 279.7372 3.813957 796.4653       21.69589  785.9398       
24.74742  831.4240       45.10108  277.8373 4.380139 285.3502 7.772439 
-7.512848      8.921683 
1 1 1 -2  33 3  o 121.3095 4.541262 149.8531       11.20271  147.3179       
12.87981  157.7309       22.70394  120.2477 5.267218 123.8520 9.077849 
-3.604248      10.49528 
1 1 1 -2  33 4  o 209.0317 4.394448 444.9380       18.67961  432.8340       
22.50623  471.7358       33.48800  206.0924 5.370187 214.9048 7.662871 
-8.812485      9.357270 
1 1 1 -2  33 5  o 44.79779 10.65648 21.42158       9.566565  19.23626       
11.21142  27.27349       18.34643  42.72947 12.26200 51.30523 15.92176 
-8.575760      20.09625 
1 1 1 -2  33 6  o 162.4753 4.304030 268.8778       14.22048  268.7477       
16.70075  269.2208       27.11889  162.3821 5.057624 161.9934 8.259768 
0.3886566      9.685212 
1 1 1 -2  33 7  o 124.0463 4.961504 156.8631       12.51552  148.1232       
14.44767  183.1411       25.05185  120.4764 5.897182 133.2838 9.301270 
-12.80743      11.01319 
1 1 1 -2  33 8  f 290.8718 4.055705 861.9370       23.98940  870.7831       
27.80616  836.1854       47.44237  292.2660 4.678550 285.6407 8.167607 
6.625275       9.412685 
1 1 1 -2  33 9  f 118.7142 5.886426 143.9603       14.21038  139.9353       
19.51031  148.5082       20.73896  116.4922 8.290090 119.9710 8.556894 
-3.478775      11.91411 
1 1 1 -2  33 10 o 143.8126 6.276786 211.5332       18.35633  213.9370       
21.19019  204.3058       36.74319  144.4914 7.211763 139.3943 13.11650 
5.097122       14.96837 
1 1 1 -2  33 11 o 108.2548 7.573022 120.8585       16.56622  141.9459       
28.16084  109.6990       20.48592  116.1724 12.09788 102.5752 9.946116 
13.59717       15.66154 
1 1 1 -2  33 12 o 213.2411 5.527006 464.9215       23.96693  471.9583       
39.71408  460.8907       30.05737  213.8247 9.133458 211.9671 6.973183 
1.857590       11.49110 
1 1 1 -2  33 13 o 82.54182 8.731381 71.09006       14.43327  84.72933       
20.13537  56.67540       20.69980  89.47793 11.31921 71.93293 14.64870 
17.54500       18.51240 
1 1 1 -2  33 14 o 224.0418 4.929441 513.1570       22.45837  491.6473       
30.85931  537.3780       32.74651  218.7127 6.938422 228.6209 7.043647 
-9.908173      9.887096 
1 1 1 -2  33 15 o 175.2799 5.701901 314.8629       20.32372  276.8483       
27.99822  357.2041       29.54857  163.3816 8.456015 186.0526 7.809972 
-22.67094      11.51086 
1 1 1 -2  33 16 o 98.80429 8.767957 102.0106       17.43371  84.98486       
24.51939  119.4182       24.79287  88.20070 14.14888 105.9064 11.70787 
-17.70569      18.36477 
1 1 1 -2  33 17 o 107.6660 13.93077 126.5046       29.78515  135.7071       
37.45634  110.6774       49.12191  109.6011 17.38622 93.82346 25.20814 
15.77762       30.62239 
1 1 1 -2  33 18 o 93.82237 10.29384 94.11349       19.31709  118.8523       
27.12186  68.64404       27.51947  104.0794 13.10510 76.22858 18.03469 
27.85078       22.29336 
1 1 1 -2  33 19 o 40.46113 15.39013 15.34395       17.51303  30.58764       
23.65999  -3.129152      26.04591  51.55276 18.16019 37.39725 16.71982 
14.15551       24.68491 
1 1 1 -2  33 20 o 37.00908 14.52846 12.28382       15.96775  25.93076       
22.44966  -1.689255      22.71632  47.24003 17.53947 34.79717 15.58187 
12.44286       23.46120 
1 1 1 -2  34 1  o 288.0486 3.743613 844.6245       21.92846  838.6979       
30.90393  850.6345       31.12026  286.8673 5.297625 288.9016 5.297146 
-2.034241      7.491634 
1 1 1 -2  34 2  o 121.4341 4.565221 150.2002       11.27337  158.2309       
12.93455  124.8202       22.99422  124.6107 5.104400 109.8127 10.42196 
14.79799       11.60483 
1 1 1 -2  34 3  o 123.7570 4.553040 156.0102       11.45836  153.6706       
13.06876  163.7871       23.82690  122.7896 5.233851 126.0950 9.358957 
-3.305443      10.72303 
1 1 1 -2  34 4  o 278.0567 4.410243 787.5484       24.93718  776.7823       
30.24220  810.4194       44.07870  276.0263 5.387800 281.5427 7.698978 
-5.516388      9.396949 
1 1 1 -2  34 5  o 336.7505 4.094180 1154.980       28.03668  1165.237       
32.58718  1125.753       55.00748  338.1452 4.739059 331.6292 8.156756 
6.515961       9.433523 
1 1 1 -2  34 6  o 182.8390 4.024864 340.5182       14.96482  340.8079       
17.32457  339.6670       29.70103  182.8609 4.658972 182.1248 8.019566 
0.7360382      9.274667 
1 1 1 -2  34 7  o 35.53907 11.80917 12.41842       9.971960  12.40345       
11.69216  12.45836       19.09919  36.55410 12.77341 41.57032 16.00886 
-5.016224      20.48032 
1 1 1 -2  34 8  o 136.0706 4.722411 188.8303       13.06710  185.2251       
15.03562  199.9579       26.41536  134.6935 5.489381 139.0934 9.394017 
-4.399933      10.88030 
1 1 1 -2  34 9  o 127.3034 5.609303 165.5655       14.52113  150.6593       
19.38157  184.6401       21.92473  120.9000 7.927242 133.8563 8.092648 
-12.95630      11.32838 
1 1 1 -2  34 10 o 48.84068 14.30937 25.58899       15.12682  20.04470       
16.69645  50.98705       35.73563  44.96270 15.28226 68.45992 22.33647 
-23.49722      27.06410 
1 1 1 -2  34 11 o 50.00322 13.97112 27.10928       14.75497  20.04946       
24.46801  31.14363       18.49648  48.53018 18.25304 53.60632 15.85661 
-5.076134      24.17862 
1 1 1 -2  34 12 o 155.1342 6.431196 246.7377       20.28854  217.6683       
33.60168  263.4158       25.45168  143.9596 11.57594 159.9751 7.823708 
-16.01552      13.97186 
1 1 1 -2  34 13 o 78.72536 9.187913 65.01861       14.43229  67.38496       
19.48395  62.14181       21.48284  79.17202 12.51812 75.28857 14.55832 
3.883446       19.20021 
1 1 1 -2  34 14 o 51.01252 13.88243 28.62753       14.78568  -5.830674      
20.33283  67.29706       21.53952  33.34282 14.84959 78.46819 14.01280 
-45.12536      20.41737 
1 1 1 -2  34 15 o 202.5467 5.352887 420.2626       22.04778  442.4023       
31.21787  398.2294       31.14279  207.1065 7.412387 196.3457 7.799823 
10.76083       10.76015 
1 1 1 -2  34 16 o 45.17252 14.78375 21.59490       15.65013  3.514902       
22.08150  39.84331       22.18411  38.34154 16.27602 59.28963 17.31680 
-20.94809      23.76510 
1 1 1 -2  34 17 o 81.90868 17.89543 77.98722       28.97388  101.8736       
36.26174  35.80994       48.18509  92.71089 19.83363 61.66491 24.89187 
31.04598       31.82732 
1 1 1 -2  34 18 o 46.37709 16.36262 22.96293       19.21516  21.43039       
25.17138  25.10324       29.74680  47.53230 18.35767 50.89316 19.87214 
-3.360863      27.05376 
1 1 1 -2  34 19 o 44.00200 15.38181 21.56623       16.95570  29.36574       
23.01837  12.31381       25.07084  50.10106 17.88388 42.12640 17.57814 
7.974663       25.07636 
1 1 1 -2  34 20 o 33.55957 13.96431 7.095172       15.75915  -7.214800      
22.21275  21.59758       22.36160  32.26940 14.82201 44.22016 17.23987 
-11.95076      22.73555 
1 1 1 -2  35 1  o 136.8056 3.960499 190.5972       11.01806  176.4573       
15.09167  206.7361       16.12321  131.5262 5.642529 142.3700 5.569058 
-10.84381      7.927959 
1 1 1 -2  35 2  o 321.2009 3.942953 1050.665       25.75430  1045.583       
29.64016  1066.324       52.02998  320.3390 4.550083 322.8086 7.926056 
-2.469604      9.139235 
1 1 1 -2  35 3  o 249.6018 4.291558 634.6896       21.78283  618.7580       
26.21025  670.2658       39.16703  246.3329 5.232356 255.9868 7.524049 
-9.653976      9.164544 
1 1 1 -2  35 4  o 127.2621 4.458445 165.0367       11.53809  165.7969       
13.36955  162.8181       22.83946  127.5073 5.156205 125.6650 8.997112 
1.842323       10.36988 
1 1 1 -2  35 5  o 105.5408 6.232729 114.1733       13.31738  124.8950       
16.96529  96.96008       21.49618  110.1922 7.617863 96.31879 11.18298 
13.87344       13.53111 
1 1 1 -2  35 6  o 28.05841 11.09285 4.543920       9.370369  12.98329       
11.08880  -16.53286      17.52394  36.67852 12.45432 27.25807 12.74104 
9.420448       17.81697 
1 1 1 -2  35 7  o 107.1024 5.319277 117.1002       11.58520  122.1455       
13.47623  102.8116       22.67877  109.1497 6.095831 99.01224 11.47645 
10.13749       12.99493 
1 1 1 -2  35 8  o 181.4066 5.016436 335.9102       18.50545  324.9056       
22.88389  356.7055       31.45762  178.2075 6.314695 186.3070 8.303195 
-8.099533      10.43161 
1 1 1 -2  35 9  o 234.2322 4.103051 559.4457       19.54362  543.7916       
22.32883  610.7146       40.40898  230.8183 4.757121 243.7047 8.153849 
-12.88631      9.440098 
1 1 1 -2  35 10 o 62.28832 12.66036 41.98215       15.48970  37.46899       
17.14505  62.02678       36.13242  58.46208 14.49370 73.99146 22.22566 
-15.52938      26.53389 
1 1 1 -2  35 11 o 303.8507 5.283084 944.0223       32.64368  887.7784       
53.77029  976.8514       41.08040  293.0909 9.021704 308.6266 6.545607 
-15.53564      11.14612 
1 1 1 -2  35 12 o 147.6234 10.92639 228.5928       32.56773  228.5928       
32.56773  0.000000       0.000000  147.6234 10.92639 ?        ?        
0.000000       10.92639 
1 1 1 -2  35 13 o 140.6035 5.976405 202.7668       17.08785  220.6441       
23.66052  183.2761       24.70505  145.9617 8.001892 132.5846 9.220441 
13.37709       12.20847 
1 1 1 -2  35 14 o 174.9560 5.617070 313.8318       19.98435  319.6445       
27.52290  307.3499       29.06433  175.9308 7.693094 172.2978 8.295243 
3.632996       11.31348 
1 1 1 -2  35 15 o 131.7570 6.821943 179.2907       18.21556  197.0918       
25.69969  161.3196       25.82212  137.2833 9.259850 123.7027 10.36047 
13.58063       13.89547 
1 1 1 -2  35 16 f 81.71535 10.39145 71.22978       16.87699  65.37969       
23.55142  77.40500       24.19702  76.06385 15.74475 83.37210 14.81494 
-7.308250      21.61897 
1 1 1 -2  35 17 o 40.12006 16.49554 9.311752       21.63086  12.12566       
24.97622  0.8674467      43.26667  43.36695 17.76559 48.78756 21.69918 
-5.420605      28.04409 
1 1 1 -2  35 18 f 61.81045 21.19950 48.14695       32.13332  0.000000       
0.000000  48.14695       32.13332  ?        ?        61.81045 21.19950 
0.000000       21.19950 
1 1 1 -2  35 19 o 76.68167 11.48894 66.20583       17.36360  68.01865       
24.35553  64.33212       24.76117  74.06950 16.58290 71.43821 17.24167 
2.631294       23.92212 
1 1 1 -2  35 20 o 87.89716 9.770667 85.98595       17.16873  85.88478       
24.37284  86.08559       24.18871  83.39632 14.91941 83.64941 14.75948 
-0.2530975     20.98645 
1 1 1 -2  36 1  o 210.9443 3.632257 453.1556       15.58102  458.2475       
22.12427  448.1451       21.94658  211.9584 5.132947 209.6069 5.148845 
2.351456       7.270334 
1 1 1 -2  36 2  o 214.8269 3.757147 470.0499       16.41338  472.0048       
18.90639  464.0689       33.07014  215.2137 4.320035 212.8844 7.639076 
2.329285       8.776001 
1 1 1 -2  36 3  o 121.2351 5.020086 149.9159       12.37630  156.5725       
14.78094  134.3025       22.63733  123.8258 5.870018 113.8227 9.878088 
10.00308       11.49059 
1 1 1 -2  36 4  o 129.2198 4.462016 170.2203       11.72496  164.9795       
13.57717  185.5938       23.25400  127.1513 5.250938 134.1959 8.566017 
-7.044594      10.04734 
1 1 1 -2  36 5  o 36.39820 12.40644 12.75524       11.00412  4.087864       
14.37504  25.02318       17.10216  32.81264 13.46405 48.96297 15.40158 
-16.15033      20.45701 
1 1 1 -2  36 6  o 224.0379 3.883300 511.4985       17.69188  518.3511       
20.47421  491.3001       35.15100  225.4517 4.465830 218.7973 7.900314 
6.654419       9.075164 
1 1 1 -2  36 7  o 320.0896 4.132435 1044.634       26.89856  1034.026       
30.79812  1078.748       55.22932  318.3173 4.757870 323.8845 8.385486 
-5.567139      9.641250 
1 1 1 -2  36 8  o 23.54868 10.42164 -3.016355      9.860252  -4.860302      
11.49554  2.117172       19.18063  24.71271 11.07401 35.95900 15.21156 
-11.24629      18.81555 
1 1 1 -2  36 9  o 184.5395 4.328429 347.4883       16.24318  344.5840       
18.59670  356.8334       33.35875  183.6617 4.979274 185.9696 8.820971 
-2.307938      10.12930 
1 1 1 -2  36 10 o 108.1136 7.887792 120.9750       17.22186  117.8047       
19.27291  133.5369       38.36401  106.4002 8.991643 109.9759 17.75954 
-3.575661      19.90605 
1 1 1 -2  36 11 o 51.08974 12.88610 28.56132       13.38600  18.83482       
18.85475  38.44604       19.00748  44.80145 16.16422 58.85177 15.62190 
-14.05032      22.47946 
1 1 1 -2  36 12 o 109.0512 7.475105 123.1261       16.47670  129.2347       
21.31255  114.0512       25.97677  111.1278 9.523078 103.2276 12.63880 
7.900177       15.82492 
1 1 1 -2  36 13 o 59.29552 12.70704 38.58163       14.86127  41.70469       
20.45639  35.09111       21.62640  60.84504 16.23276 56.17357 17.26248 
4.671471       23.69590 
1 1 1 -2  36 14 o 90.67074 8.786063 86.17667       15.99667  96.92446       
22.37191  74.93304       22.88214  95.11304 11.82176 82.54944 14.13973 
12.56361       18.43057 
1 1 1 -2  36 15 o 35.07570 14.10680 7.319955       15.41422  8.475555       
22.05880  6.217237       21.54817  40.44947 16.64759 39.05424 16.29637 
1.395237       23.29622 
1 1 1 -2  36 16 o 104.3658 8.552089 114.3538       17.99083  112.7537       
25.43520  115.9558       25.45055  101.8309 12.54847 103.3849 12.35012 
-1.553940      17.60652 
1 1 1 -2  36 17 o 65.32417 16.52221 50.39218       21.96292  57.02370       
25.41799  30.85182       43.63158  68.80354 17.97068 57.03489 23.43631 
11.76865       29.53314 
1 1 1 -2  36 18 o 71.82700 16.89435 63.10246       24.26291  34.29696       
36.96412  84.90829       32.16097  54.81458 21.91580 81.31192 19.66533 
-26.49734      29.44533 
1 1 1 -2  36 19 o 55.61187 14.24448 37.73792       16.18020  12.97625       
22.98973  62.04189       22.77627  40.26526 16.81981 70.08049 16.29123 
-29.81523      23.41603 
1 1 1 -2  37 1  o 177.0268 3.674240 319.2500       13.22690  347.8544       
19.07799  292.7745       18.35431  184.6263 5.081449 169.3487 5.329723 
15.27754       7.363904 
1 1 1 -2  37 2  f 141.9089 4.183665 205.2711       12.07308  202.6687       
13.71394  214.2362       25.45327  140.9522 4.784526 144.1168 8.726286 
-3.164612      9.951872 
1 1 1 -2  37 3  f 97.60933 5.649054 97.64791       11.16498  100.9114       
13.57861  90.83611       19.61760  99.06175 6.781387 93.19857 10.53609 
5.863182       12.52982 
1 1 1 -2  37 4  o 195.6359 3.882759 390.0479       15.44687  386.6671       
17.80770  400.3225       31.04487  194.7098 4.497474 197.5246 7.728893 
-2.814804      8.942206 
1 1 1 -2  37 5  o 96.02634 6.691962 94.88158       12.98590  104.4667       
16.41659  78.85746       21.22619  100.5169 8.100170 86.16933 12.47652 
14.34754       14.87536 
1 1 1 -2  37 6  o 198.3432 3.977173 401.0823       16.04143  410.7898       
18.65351  373.5186       31.43237  200.6418 4.571806 190.5932 8.109951 
10.04855       9.309818 
1 1 1 -2  37 7  o 115.2918 5.201565 135.8229       12.19506  138.0368       
14.00983  128.8993       24.77507  115.9882 5.959878 110.8164 11.14526 
5.171814       12.63871 
1 1 1 -2  37 8  o 35.84028 11.88915 12.83890       10.10905  10.59235       
11.69717  19.46830       20.09371  34.84943 12.70733 45.95765 16.67063 
-11.10822      20.96153 
1 1 1 -2  37 9  o 224.1455 4.222979 512.7567       19.24865  532.2247       
22.45212  458.7613       37.39170  228.2275 4.837690 210.7291 8.725680 
17.49837       9.977011 
1 1 1 -2  37 10 o 108.7922 5.539057 121.4905       12.21367  129.9960       
15.06800  105.1969       20.85519  112.3212 6.626287 99.98985 10.40927 
12.33134       12.33939 
1 1 1 -2  37 11 o 168.7748 5.282121 291.6329       18.12873  269.7495       
24.40580  318.5699       27.07767  161.7785 7.418579 175.7589 7.576045 
-13.98036      10.60338 
1 1 1 -2  37 12 o 163.9379 5.924058 275.8629       19.74923  293.1125       
24.98497  247.1377       32.24187  168.5782 7.288297 153.3499 10.40066 
15.22830       12.70012 
1 1 1 -2  37 13 o 39.58832 14.37494 14.56284       14.94613  22.79432       
20.99269  6.101044       21.28436  47.79477 17.07691 38.90859 16.21261 
8.886177       23.54718 
1 1 1 -2  37 14 o 76.04102 11.04052 62.11174       16.57318  71.41331       
23.24615  52.49662       23.63472  80.08553 14.81982 67.59153 17.16348 
12.49400       22.67624 
1 1 1 -2  37 15 o 43.17288 14.95326 19.13011       16.00633  20.02855       
21.90921  18.10163       23.44109  46.16931 17.29041 45.80669 17.70868 
0.3626251      24.74986 
1 1 1 -2  37 16 o 42.83094 15.22544 18.74114       16.66714  -14.61820      
23.24780  54.02167       23.90786  32.28437 14.94811 67.61092 17.31357 
-35.32655      22.87369 
1 1 1 -2  37 17 o 170.6555 6.296687 302.1990       21.85163  309.1383       
30.45952  294.8404       31.36617  170.7746 8.800909 166.3684 9.308611 
4.406235       12.81040 
1 1 1 -2  37 18 f 33.37910 15.27202 -7.267488      23.26821  -37.01921      
33.21274  21.41074       32.60804  33.06881 16.01638 47.77751 20.00105 
-14.70870      25.62355 
1 1 1 -2  37 19 o 96.60291 8.864266 102.2921       17.21920  106.0426       
24.90591  98.85771       23.83278  94.30112 13.36158 91.12508 13.24944 
3.176041       18.81699 
1 1 1 -2  38 1  o 148.9674 3.880455 226.1971       11.75507  234.5491       
16.71660  218.0273       16.53328  151.5126 5.425601 146.0602 5.566419 
5.452423       7.773170 
1 1 1 -2  38 2  o 100.4845 5.233563 103.4100       10.65721  90.93067       
12.13870  145.3785       22.26068  94.03576 6.385707 118.3675 9.323627 
-24.33171      11.30077 
1 1 1 -2  38 3  o 155.9693 4.616814 248.2422       14.64309  246.8216       
17.56624  251.4773       26.50912  155.3958 5.558890 156.1180 8.380725 
-0.7221832     10.05673 
1 1 1 -2  38 4  o 77.78871 6.115542 62.30640       9.595933  69.90870       
11.25310  42.04511       18.37102  82.31273 6.783261 61.93523 14.79010 
20.37750       16.27144 
1 1 1 -2  38 5  o 152.3834 4.985123 237.1858       15.44774  243.9988       
19.57104  225.9261       25.15972  154.3573 6.234984 147.8719 8.401651 
6.485352       10.46245 
1 1 1 -2  38 6  o 192.2469 4.042973 376.9846       15.80562  379.5544       
18.22752  369.1961       31.73292  192.8022 4.649051 189.3023 8.243328 
3.499832       9.463939 
1 1 1 -2  38 7  o 213.5303 4.056661 465.1730       17.61488  473.3307       
20.31304  440.4388       35.37049  215.2820 4.639975 206.6215 8.418100 
8.660522       9.612168 
1 1 1 -2  38 8  o 112.5535 5.370274 129.6223       12.29156  132.4240       
14.16774  121.0954       24.71618  113.4876 6.162143 107.0149 11.54016 
6.472664       13.08233 
1 1 1 -2  38 9  o 123.8489 6.131946 157.3353       15.44336  157.3353       
15.44336  0.000000       0.000000  123.8489 6.131946 ?        ?        
0.000000       6.131946 
1 1 1 -2  38 10 o 106.8943 5.909852 117.5578       12.79655  120.8558       
14.96952  108.6067       24.66130  108.1750 6.840246 100.7812 12.28771 
7.393784       14.06332 
1 1 1 -2  38 11 o 97.89963 8.947485 100.3727       17.61592  124.6968       
29.10513  86.31070       22.12961  107.2949 13.64841 89.47489 12.50410 
17.81998       18.51031 
1 1 1 -2  38 12 o 39.82617 14.57928 14.56752       15.41903  7.051254       
19.95876  25.69394       24.28344  38.38401 15.82086 50.64074 18.33297 
-12.25672      24.21564 
1 1 1 -2  38 13 o 142.3037 6.281839 208.4671       18.17834  210.0719       
25.02621  206.6747       26.44886  141.7952 8.721539 140.3745 9.318429 
1.420776       12.76316 
1 1 1 -2  38 14 o 93.84152 8.977249 92.74720       16.92224  106.8651       
23.51054  77.57050       24.37625  99.58237 11.84208 83.24408 14.94942 
16.33829       19.07145 
1 1 1 -2  38 15 o 120.3358 7.611989 151.0940       18.53108  177.8392       
25.94175  123.2267       26.48037  129.4675 9.929070 106.3352 12.48352 
23.13232       15.95070 
1 1 1 -2  38 16 o 36.07939 14.64229 8.376193       16.76974  -11.21356      
23.50118  28.69891       23.93680  33.24152 15.26014 50.83304 18.22738 
-17.59152      23.77203 
1 1 1 -2  38 17 o 30.32482 13.38801 -1.364861      16.17620  -2.133574      
23.15749  -0.6323461     22.60569  35.36004 15.79038 35.52259 15.74737 
-0.1625557     22.30057 
1 1 1 -2  38 18 o 43.17697 17.13634 19.72305       22.44238  19.30830       
31.58171  20.14614       31.89728  45.65361 19.42481 46.03735 19.55328 
-0.3837357     27.56182 
1 1 1 -2  38 19 o 103.3915 8.361398 117.1026       17.42937  149.8152       
26.34072  91.62514       23.24602  113.4483 11.58004 86.48891 13.67153 
26.95937       17.91669 
1 1 1 -2  39 1  o 216.3048 4.304382 477.4110       18.93339  506.6900       
23.26744  420.0259       32.57390  222.6716 5.138451 202.0357 7.928487 
20.63597       9.447994 
1 1 1 -2  39 2  o 30.38400 11.24990 7.612315       9.223156  6.459379       
10.84127  10.63315       17.54856  30.90549 12.01642 39.09260 15.26352 
-8.187109      19.42600 
1 1 1 -2  39 3  o 29.18252 10.89706 6.816510       8.689918  13.88273       
10.07111  -13.77600      17.19247  36.83366 11.84469 27.64169 12.81833 
9.191971       17.45298 
1 1 1 -2  39 4  o 51.96442 8.986446 28.66301       9.152477  28.59893       
10.49445  28.86660       18.70592  51.60421 10.36050 51.83086 16.07570 
-0.2266541     19.12506 
1 1 1 -2  39 5  o 142.6307 4.407166 207.6909       12.78274  204.6911       
14.65701  217.2218       26.12541  141.5003 5.093738 144.6968 8.922295 
-3.196503      10.27392 
1 1 1 -2  39 6  o 228.5152 3.976630 532.7928       18.47914  533.3152       
21.27240  531.1862       37.30485  228.4985 4.578063 226.9429 8.083460 
1.555618       9.289832 
1 1 1 -2  39 7  o 118.5630 5.147540 143.8043       12.41081  148.6126       
14.32317  129.3179       24.86125  120.4221 5.848996 110.6672 11.20149 
9.754982       12.63662 
1 1 1 -2  39 8  o 36.66557 12.05786 13.67943       10.40627  14.82258       
12.08066  10.39162       20.48766  38.47709 12.99971 40.71292 16.30242 
-2.235825      20.85093 
1 1 1 -2  39 9  o 74.38333 9.319071 58.36769       13.78673  58.36769       
13.78673  0.000000       0.000000  74.38333 9.319071 ?        ?        
0.000000       9.319071 
1 1 1 -2  39 10 o 32.84716 12.41216 8.693563       11.34415  7.385059       
13.22195  12.34389       22.08382  33.42900 13.18932 42.50505 16.95807 
-9.076042      21.48335 
1 1 1 -2  39 11 o 96.89498 7.221727 97.49061       14.12745  116.3588       
18.42000  70.53642       22.01595  105.4421 8.667338 79.93598 14.05707 
25.50610       16.51435 
1 1 1 -2  39 12 f 86.19335 9.558594 78.63802       16.47190  74.32913       
21.35522  84.96701       25.88144  82.34739 13.19852 87.23288 15.13907 
-4.885490      20.08463 
1 1 1 -2  39 13 o 80.29213 10.16001 68.81577       16.21771  59.27904       
22.39697  79.32786       23.51441  72.18240 15.70486 84.54562 14.17904 
-12.36321      21.15864 
1 1 1 -2  39 14 o 29.03863 12.94767 -4.297604      15.50626  -18.45600      
21.38877  11.38786       22.51269  29.74433 13.95807 41.71807 16.95261 
-11.97374      21.95947 
1 1 1 -2  39 15 o 57.74107 14.43431 38.34981       16.90263  46.49358       
24.21574  30.61238       23.60386  62.21925 18.06944 52.13868 18.15289 
10.08057       25.61312 
1 1 1 -2  39 16 o 77.69410 11.28963 66.71360       17.31490  62.73859       
25.31277  70.20911       23.73703  71.51500 17.53926 77.06684 15.67989 
-5.551842      23.52625 
1 1 1 -2  39 17 o 126.5267 10.74350 177.1331       27.38127  177.1331       
27.38127  0.000000       0.000000  126.5267 10.74350 ?        ?        
0.000000       10.74350 
1 1 1 -2  39 18 o 46.72511 15.92460 27.92532       18.12996  10.45229       
33.09438  35.41780       21.67121  42.16602 18.84973 51.25675 17.41079 
-9.090733      25.66024 
1 1 1 -2  40 1  o 100.7051 10.75525 106.8278       21.68470  0.000000       
0.000000  106.8278       21.68470  ?        ?        100.7051 10.75525 
0.000000       10.75525 
1 1 1 -2  40 2  o 206.0119 4.338448 433.3141       18.17516  449.3615       
22.12411  400.0036       31.87530  209.6054 5.190534 196.9760 7.957736 
12.62936       9.500905 
1 1 1 -2  40 3  o 116.6713 4.700691 139.0881       11.15262  133.4555       
12.84742  156.3120       22.46614  114.1763 5.533356 122.5473 9.079754 
-8.371056      10.63297 
1 1 1 -2  40 4  o 40.63382 12.47563 17.47754       11.29837  10.61581       
14.26900  29.01021       18.49872  36.60660 13.89949 51.73155 15.97679 
-15.12495      21.17672 
1 1 1 -2  40 5  o 297.3304 4.017218 902.3087       24.28936  914.7792       
28.14289  865.8954       48.09015  299.1926 4.625582 289.5486 8.167390 
9.644073       9.386281 
1 1 1 -2  40 6  o 98.47562 5.439013 99.61537       10.84959  98.74841       
12.72135  101.9285       20.77940  97.84750 6.429187 98.26262 10.56501 
-0.4151230     12.36745 
1 1 1 -2  40 7  o 224.9788 4.042181 516.8204       18.49306  522.4003       
21.44630  500.6418       36.51830  226.0317 4.665860 220.0064 8.162513 
6.025269       9.401960 
1 1 1 -2  40 8  o 224.9942 4.146288 517.1443       18.97065  520.9398       
21.85272  505.5350       38.21914  225.6489 4.762345 220.7911 8.512319 
4.857803       9.753947 
1 1 1 -2  40 9  o 170.8385 5.381618 299.2795       18.69606  299.2795       
18.69606  0.000000       0.000000  170.8385 5.381618 ?        ?        
0.000000       5.381618 
1 1 1 -2  40 10 o 239.3048 4.939599 586.7538       24.03779  597.2562       
29.34540  565.3361       41.90662  241.0051 5.987732 232.9398 8.846827 
8.065277       10.68266 
1 1 1 -2  40 11 o 29.23693 12.56725 0.2344672      13.46420  -7.334186      
16.22923  16.94612       24.11561  28.62548 12.96295 45.58937 17.86725 
-16.96389      22.07434 
1 1 1 -2  40 12 o 90.88811 9.215831 87.30906       16.79754  108.7396       
21.69796  55.25519       26.53646  100.8796 10.74230 68.41572 18.58947 
32.46386       21.47011 
1 1 1 -2  40 13 o 94.08192 12.50605 96.65235       23.33359  0.000000       
0.000000  96.65235       23.33359  ?        ?        94.08192 12.50605 
0.000000       12.50605 
1 1 1 -2  40 14 o 127.3131 7.229981 168.9932       18.64090  166.3006       
25.56004  172.0526       27.24498  124.8046 10.15933 126.6451 10.67867 
-1.840454      14.73926 
1 1 1 -2  40 15 o 31.40505 13.62879 0.5034040      16.13928  36.73781       
22.79611  -35.91137      22.85277  55.32067 17.82354 26.60468 12.97589 
28.71599       22.04659 
1 1 1 -2  40 16 o 72.34256 13.41448 60.65644       19.00754  113.2688       
37.89621  42.97176       21.97103  92.51691 20.66456 58.52649 17.27338 
33.99042       26.93313 
1 1 1 -2  40 17 o 37.29242 14.56782 13.64947       15.99135  10.14351       
24.42301  16.28052       21.15728  39.37803 16.92605 40.78225 16.48300 
-1.404217      23.62584 
1 1 1 -2  40 18 o 56.60520 15.55235 42.66204       18.45315  5.598735       
34.06783  58.05134       21.95239  40.07634 18.38873 65.41122 16.50404 
-25.33489      24.70888 
1 1 1 -2  41 1  o 141.2143 4.789667 203.9123       13.75420  202.8801       
16.35435  206.4066       25.42286  140.6876 5.716447 140.8289 8.923426 
-0.1413116     10.59742 
1 1 1 -2  41 2  o 60.12457 8.283563 38.04549       9.859029  38.15381       
11.60665  37.76482       18.68295  59.79976 9.890283 58.18916 15.50794 
1.610607       18.39331 
1 1 1 -2  41 3  o 146.7021 4.170775 219.7838       12.44242  228.2096       
14.66607  198.1442       23.50348  149.3769 4.828131 138.1302 8.407435 
11.24661       9.695144 
1 1 1 -2  41 4  o 74.25539 8.197503 57.68762       12.17193  51.26202       
15.44560  68.21725       19.77218  69.03696 11.39992 79.42121 12.66803 
-10.38425      17.04222 
1 1 1 -2  41 5  o 66.32309 7.233311 45.86046       9.597402  45.46549       
11.06745  47.05804       19.27168  65.73313 8.477189 64.95554 14.90593 
0.7775879      17.14787 
1 1 1 -2  41 6  o 169.6954 4.226080 294.2430       14.58342  294.9534       
16.83629  292.1086       29.18340  169.7615 4.877036 167.5840 8.592402 
2.177429       9.880023 
1 1 1 -2  41 7  o 150.0733 4.596656 230.4059       14.02804  230.4879       
16.34067  230.1763       27.35275  149.9353 5.359378 148.4180 9.106827 
1.517365       10.56680 
1 1 1 -2  41 8  o 119.3348 5.353698 146.0775       12.99189  135.0533       
14.84953  182.0558       26.82623  114.3535 6.411601 131.3976 10.11752 
-17.04403      11.97801 
1 1 1 -2  41 9  o 132.5698 8.082995 183.1665       21.68647  183.1665       
21.68647  0.000000       0.000000  132.5698 8.082995 ?        ?        
0.000000       8.082995 
1 1 1 -2  41 10 o 71.94734 9.654430 55.20562       13.76879  50.64757       
16.88714  64.24486       23.78111  67.74575 12.72535 74.99327 16.07693 
-7.247520      20.50371 
1 1 1 -2  41 11 o 77.28230 9.843318 63.77724       15.11821  36.96037       
18.27775  121.8658       26.90074  56.85484 15.41943 105.7325 12.77001 
-48.87766      20.02079 
1 1 1 -2  41 12 o 62.50116 11.55346 42.89248       14.14336  42.26938       
16.56294  44.57009       27.17724  61.25236 13.64668 61.35012 19.42911 
-0.9776306E-01 23.74283 
1 1 1 -2  41 13 o 204.0966 5.430154 428.8420       22.53717  396.7957       
30.49891  467.3896       33.44985  195.1154 7.686723 211.7055 7.769814 
-16.59007      10.92958 
1 1 1 -2  41 14 o 40.71247 14.89141 16.57213       16.08155  34.15664       
23.85873  1.931727       21.77002  53.90050 18.26860 36.45274 15.82400 
17.44776       24.16901 
1 1 1 -2  41 15 o 82.21990 10.33693 74.04796       16.90099  98.12460       
24.68134  52.79044       23.19140  92.64601 13.49714 65.24438 17.22579 
27.40163       21.88380 
1 1 1 -2  41 16 o 48.98690 17.32910 29.82648       21.56583  40.82629       
34.69548  22.90093       27.53008  54.96498 21.46169 46.32835 18.77502 
8.636635       28.51500 
1 1 1 -2  41 17 o 94.68230 8.964532 99.10799       17.05475  91.04707       
25.50867  105.6240       22.93432  84.61397 15.39201 94.70851 12.19123 
-10.09454      19.63517 
1 1 1 -2  41 18 o 61.78626 13.63060 48.83294       16.66654  63.09807       
26.12339  39.04077       21.64368  63.98480 18.82109 51.34277 17.39993 
12.64203       25.63184 
1 1 1 -2  42 1  o 70.24129 7.326076 51.44358       10.31043  48.15705       
11.88869  61.41551       20.70878  67.54224 8.870296 74.59311 14.17038 
-7.050865      16.71771 
1 1 1 -2  42 2  o 110.2880 4.934210 124.5195       11.06617  124.6799       
12.71900  124.0200       22.44830  110.0908 5.700878 108.3916 10.30855 
1.699112       11.77991 
1 1 1 -2  42 3  o 103.5133 5.036304 109.7328       10.60131  110.1262       
12.23853  108.5505       21.21726  103.4107 5.843779 101.2759 10.45254 
2.134819       11.97520 
1 1 1 -2  42 4  o 126.8093 5.641753 165.0157       14.54845  161.4537       
18.36255  171.0217       23.84420  124.8562 7.263604 127.8086 9.236451 
-2.952400      11.75040 
1 1 1 -2  42 5  o 92.88109 5.608169 88.85612       10.54285  83.06465       
12.07389  107.4466       21.63206  89.54927 6.678337 100.5604 10.74471 
-11.01112      12.65105 
1 1 1 -2  42 6  o 55.20330 8.886875 32.48494       9.637620  27.62916       
11.36423  44.92284       18.18796  50.18633 11.39546 63.30167 14.44767 
-13.11535      18.40086 
1 1 1 -2  42 7  o 83.33414 6.701340 72.09071       11.26026  84.67808       
13.17061  37.89435       21.70843  90.21056 7.240558 57.62273 17.20907 
32.58783       18.67024 
1 1 1 -2  42 8  o 97.51431 7.221164 98.94054       14.21768  98.94054       
14.21768  0.000000       0.000000  97.51431 7.221164 ?        ?        
0.000000       7.221164 
1 1 1 -2  42 9  o 40.31828 12.46727 17.58056       11.26040  14.96959       
13.17624  24.65205       21.68429  38.72047 13.55820 48.66132 17.35917 
-9.940849      22.02648 
1 1 1 -2  42 10 o 77.24564 9.308949 63.48758       14.32809  41.93778       
17.80662  103.0652       24.13151  60.67724 14.60688 97.15762 12.50416 
-36.48038      19.22797 
1 1 1 -2  42 11 o 34.06185 13.59622 7.701919       14.20215  4.489994       
18.15705  12.76412       22.79462  35.34525 14.86765 42.40574 17.11952 
-7.060486      22.67432 
1 1 1 -2  42 12 o 88.39330 8.358795 82.48827       14.84667  100.1690       
17.83800  42.62725       26.78370  97.14277 9.137305 59.71468 19.32806 
37.42809       21.37906 
1 1 1 -2  42 13 o 60.12332 11.57576 40.22517       13.63930  38.42086       
17.36107  43.13440       22.04501  57.44387 14.77748 59.93593 17.19281 
-2.492062      22.67084 
1 1 1 -2  42 14 o 151.6798 6.413264 239.4700       19.78146  254.4212       
28.47818  225.5303       27.49797  154.3015 9.116391 145.0498 9.372623 
9.251785       13.07496 
1 1 1 -2  42 15 o 37.36590 14.25070 13.61315       15.04089  -1.966878      
23.62570  24.23130       19.50406  35.23279 15.82575 45.63948 16.44399 
-10.40669      22.82234 
1 1 1 -2  42 16 o 54.13082 17.02539 39.22612       20.89908  61.54078       
33.15070  24.50783       26.92318  62.93818 21.53318 45.68675 18.54877 
17.25143       28.42067 
1 1 1 -2  42 17 o 47.94251 14.64616 30.36883       15.59405  16.31960       
23.83436  40.88402       20.61987  39.80957 16.90504 53.56425 16.91938 
-13.75467      23.91748 
1 1 1 -2  43 1  o 41.91287 9.612457 19.08112       8.018359  27.57557       
11.27327  10.38355       11.40726  50.14124 11.32379 34.15792 12.53461 
15.98332       16.89215 
1 1 1 -2  43 2  o 142.5099 4.356880 207.7408       12.62618  219.5252       
14.68082  174.2566       24.74671  146.3728 4.932178 128.7521 9.519224 
17.62064       10.72110 
1 1 1 -2  43 3  o 45.73117 10.04609 22.75476       9.087105  25.78735       
10.55117  14.04508       17.88112  48.53173 10.95130 40.76424 15.54014 
7.767487       19.01123 
1 1 1 -2  43 4  o 122.1796 5.782767 153.4503       14.36766  151.9307       
18.36743  155.8463       23.06269  120.9043 7.507700 121.7225 9.389806 
-0.8181763     12.02223 
1 1 1 -2  43 5  f 177.7078 4.116849 322.9414       14.87726  326.5388       
17.31916  312.8139       29.05904  178.5200 4.770772 173.4156 8.240277 
5.104416       9.521682 
1 1 1 -2  43 6  o 127.3959 4.807060 166.3644       12.45336  172.7475       
14.49080  148.3318       24.35591  129.6559 5.496023 118.2259 10.23159 
11.43005       11.61428 
1 1 1 -2  43 7  o 52.12363 10.25640 29.59163       10.48410  24.31104       
12.09811  45.51627       21.00930  46.74111 12.48986 62.73820 16.31458 
-15.99709      20.54658 
1 1 1 -2  43 8  o 66.36456 10.32421 47.57644       13.48009  47.57644       
13.48009  0.000000       0.000000  66.36456 10.32421 ?        ?        
0.000000       10.32421 
1 1 1 -2  43 9  o 35.97839 12.69779 12.74276       11.57250  16.14879       
13.55460  3.584045       22.22697  39.69373 13.75978 37.88412 16.21165 
1.809608       21.26380 
1 1 1 -2  43 10 o 67.26601 10.74786 49.24339       14.20684  40.47786       
17.70514  65.09099       23.80629  59.35373 14.73682 74.89301 16.10960 
-15.53928      21.83330 
1 1 1 -2  43 11 o 84.32694 9.948755 76.36606       16.73182  70.08710       
21.86978  85.22900       25.98302  78.66623 14.19335 86.21033 15.38542 
-7.544098      20.93233 
1 1 1 -2  43 12 o 45.10943 13.96543 22.96385       14.12449  22.41521       
17.08222  24.14970       25.11388  45.16986 15.45729 48.51585 18.43549 
-3.345989      24.05816 
1 1 1 -2  43 13 o 31.05606 13.10061 3.461681       14.16240  4.003841       
16.99258  2.228407       25.62863  33.60838 14.27292 38.67842 16.97147 
-5.070045      22.17537 
1 1 1 -2  43 14 o 34.70673 13.98374 9.115450       15.17636  9.643115       
22.92057  8.703518       20.25159  39.40719 16.64710 37.54080 15.74178 
1.866394       22.91135 
1 1 1 -2  43 15 o 78.72253 9.857516 68.99133       15.43442  77.48360       
24.18787  63.15842       20.04603  78.70718 15.66324 72.12128 14.17371 
6.585907       21.12418 
1 1 1 -2  43 16 f 23.39123 11.52341 -31.97881      19.46927  -13.01723      
32.56029  -42.53119      24.28993  35.21209 16.73230 25.21178 12.50228 
10.00031       20.88725 
1 1 1 -2  43 17 o 48.13699 14.80449 31.91262       15.90254  58.23278       
25.27115  14.65715       20.46181  60.45671 18.67411 37.21534 15.72545 
23.24137       24.41336 
1 1 1 -2  44 1  o 100.7604 4.810744 104.0861       9.857202  108.4329       
14.00801  99.82245       13.87334  102.2165 6.777578 97.98696 7.008710 
4.229530       9.749748 
1 1 1 -2  44 2  o 131.7628 4.576190 177.8561       12.26163  166.6533       
14.08795  212.8566       24.90123  127.3488 5.440031 142.5489 8.630929 
-15.20003      10.20230 
1 1 1 -2  44 3  o 71.26692 8.908571 53.87875       12.62860  66.50804       
16.36802  35.30338       19.85068  78.70878 10.48735 55.53177 16.42701 
23.17701       19.48926 
1 1 1 -2  44 4  o 106.1010 5.387516 115.9866       11.58596  122.5442       
13.57014  98.35146       22.25376  108.8510 6.155794 95.33812 11.72566 
13.51289       13.24330 
1 1 1 -2  44 5  o 65.88850 7.660218 45.69596       10.07210  49.94098       
11.75598  33.97962       19.53059  68.62374 8.614101 54.44489 16.33733 
14.17885       18.46920 
1 1 1 -2  44 6  o 111.7876 5.287898 128.4717       12.02065  125.6267       
13.91839  136.8227       23.84631  110.1379 6.240067 113.1383 10.48391 
-3.000389      12.20044 
1 1 1 -2  44 7  o 50.05088 10.89316 27.64435       10.77222  28.31146       
12.62958  25.86336       20.63584  50.24799 12.42885 48.80849 16.97440 
1.439491       21.03822 
1 1 1 -2  44 8  o 70.35162 9.816496 53.26679       13.66111  53.26679       
13.66111  0.000000       0.000000  70.35162 9.816496 ?        ?        
0.000000       9.816496 
1 1 1 -2  44 9  o 129.9085 5.493859 173.8890       14.51331  173.2689       
17.14713  175.4553       27.25252  129.1619 6.549810 127.8570 10.57664 
1.304901       12.44047 
1 1 1 -2  44 10 o 64.20018 13.20276 46.62244       16.66111  62.03761       
23.63724  31.40103       23.48821  72.55473 16.40545 52.42881 18.11658 
20.12592       24.44073 
1 1 1 -2  44 11 o 80.98423 10.58346 71.39042       17.01239  70.32320       
22.72678  72.75059       25.65719  78.01161 14.86889 78.24459 16.63723 
-0.2329788     22.31325 
1 1 1 -2  44 12 o 76.63690 9.815744 63.80230       14.94569  62.73956       
18.01401  66.14963       26.77223  74.69535 12.28680 72.90685 18.13319 
1.788506       21.90383 
1 1 1 -2  44 13 o 66.59099 11.16439 49.80082       14.58314  58.70411       
17.71613  31.08959       25.68293  71.52165 12.64339 50.81603 18.78126 
20.70562       22.64047 
1 1 1 -2  44 14 o 27.95022 11.93521 2.354598       12.00101  -4.105489      
16.10828  10.41340       17.99141  28.58147 12.93135 36.56416 15.03996 
-7.982689      19.83482 
1 1 1 -2  44 15 o 29.53428 12.87574 2.281603       14.54130  1.603789       
22.95189  2.736108       18.79457  34.61232 15.56819 32.64852 14.42155 
1.963802       21.22144 
1 1 1 -2  44 16 o 31.61537 14.27977 1.238160       19.54668  -21.93715      
32.53577  14.32702       24.45114  32.56469 15.79136 38.48615 16.73847 
-5.921463      23.01181 
1 1 1 -2  45 1  o 66.00446 6.379136 45.42648       8.455482  50.70707       
11.53506  39.29390       12.43084  69.18037 8.369702 60.04501 10.56642 
9.135361       13.47966 
1 1 1 -2  45 2  o 41.75183 11.17452 19.27450       9.674912  19.95665       
11.20879  17.28118       19.16050  42.45842 12.28281 42.94447 16.15242 
-0.4860535     20.29207 
1 1 1 -2  45 3  o 112.4534 6.424964 131.1740       14.63151  115.1350       
18.66993  156.7057       23.55561  104.3850 8.879705 121.5116 9.611346 
-17.12666      13.08538 
1 1 1 -2  45 4  o 66.68437 7.638567 46.87783       10.17144  41.64965       
11.84828  61.52706       19.83294  62.13563 9.693372 73.99477 13.68463 
-11.85915      16.76993 
1 1 1 -2  45 5  o 189.9659 4.197263 369.7115       16.21412  370.7254       
18.77940  366.7422       32.13762  189.9817 4.860919 187.0595 8.448554 
2.922180       9.747133 
1 1 1 -2  45 6  o 75.57691 7.210689 59.91454       10.94754  63.96212       
12.94838  49.76858       20.50049  77.72708 8.321321 65.35315 15.63540 
12.37393       17.71186 
1 1 1 -2  45 7  o 45.00462 13.26601 22.78051       12.96630  22.78051       
12.96630  0.000000       0.000000  45.00462 13.26601 ?        ?        
0.000000       13.26601 
1 1 1 -2  45 8  o 34.02169 13.29462 8.964354       13.32171  8.964354       
13.32171  0.000000       0.000000  34.02169 13.29462 ?        ?        
0.000000       13.29462 
1 1 1 -2  45 9  o 134.4819 5.512134 186.6189       15.07423  184.7821       
17.91727  191.0687       27.88782  133.3934 6.605200 133.2827 10.37104 
0.1107178      12.29582 
1 1 1 -2  45 10 o 62.49472 11.83819 43.73051       14.49381  20.73559       
17.91315  87.32349       24.66405  44.05584 15.77112 87.27943 14.39851 
-43.22360      21.35522 
1 1 1 -2  45 11 o 53.13270 14.75051 33.40990       16.50256  50.37210       
22.40009  13.27567       24.40485  64.07825 16.93485 42.33381 17.47658 
21.74444       24.33557 
1 1 1 -2  45 12 o 37.75996 13.98878 14.44477       14.26472  17.09607       
17.12451  8.434816       25.78243  40.69336 15.27710 40.44563 17.38800 
0.2477303      23.14590 
1 1 1 -2  45 13 o 101.1041 7.748107 109.4225       15.80878  103.7018       
18.30011  126.2473       31.38364  97.30735 9.363795 101.4022 15.72917 
-4.094826      18.30539 
1 1 1 -2  45 14 o 100.2889 7.895825 109.0540       15.97259  105.0668       
18.41825  121.1481       32.07776  97.15643 9.441593 95.89806 17.07504 
1.258377       19.51155 
1 1 1 -2  45 15 o 49.03838 12.42254 30.07417       12.40206  27.07119       
15.81322  34.87321       19.99039  44.95100 14.86783 49.26777 16.72204 
-4.316769      22.37585 
1 1 1 -2  45 16 o 28.94193 13.15059 0.2731258E-01  16.87674  -17.32394      
23.61821  18.13041       24.12448  28.21583 13.62717 38.66264 16.72042 
-10.44680      21.57018 
1 1 1 -2  46 1  o 64.08725 6.725526 43.06330       8.634272  55.69704       
11.86723  28.85320       12.58583  72.48440 8.195006 50.58551 12.34396 
21.89888       14.81659 
1 1 1 -2  46 2  o 189.4161 4.649070 368.4341       17.90748  380.6529       
21.96551  344.2181       30.92277  192.0934 5.623122 181.0760 8.397813 
11.01740       10.10657 
1 1 1 -2  46 3  o 31.74227 12.67866 6.671292       12.35790  -6.609313      
16.40520  24.09362       18.78996  28.75183 13.02544 46.87210 16.20329 
-18.12027      20.78963 
1 1 1 -2  46 4  o 46.59534 10.77855 24.12861       10.00992  35.40386       
11.72736  -6.133677      19.21268  56.75285 10.54990 31.45229 14.18615 
25.30056       17.67901 
1 1 1 -2  46 5  o 22.33838 10.06892 -4.064282      9.660678  -4.093470      
11.22471  -3.980892      18.97311  24.28001 10.90703 32.02602 14.29779 
-7.746010      17.98305 
1 1 1 -2  46 6  o 43.70877 11.57445 21.43598       10.45035  15.67170       
12.14406  37.88602       20.51516  38.46838 13.03360 56.42619 16.70166 
-17.95781      21.18537 
1 1 1 -2  46 7  o 101.3869 7.247692 107.7797       14.84432  107.7797       
14.84432  0.000000       0.000000  101.3869 7.247692 ?        ?        
0.000000       7.247692 
1 1 1 -2  46 8  o 50.85802 11.60963 29.12258       11.74250  20.74793       
14.11505  47.94542       21.16127  43.13206 14.03630 63.25195 16.33716 
-20.11989      21.53881 
1 1 1 -2  46 9  f 98.83830 6.969151 102.4484       13.91764  113.8302       
16.56681  75.14909       25.65726  103.7624 7.911022 79.23573 16.46128 
24.52665       18.26357 
1 1 1 -2  46 10 o 59.53163 12.60255 40.64069       14.78120  21.76825       
18.76888  71.46082       23.98510  44.54398 16.11875 77.27898 15.79586 
-32.73500      22.56819 
1 1 1 -2  46 11 o 33.84981 14.12775 6.384150       16.19976  3.125391       
21.14725  11.01252       25.20241  35.66184 15.53778 41.09336 17.41302 
-5.431519      23.33743 
1 1 1 -2  46 12 o 37.32332 13.83490 14.63819       13.95655  20.26365       
16.59481  1.043596       25.79742  42.05222 15.16577 37.09952 16.60947 
4.952698       22.49167 
1 1 1 -2  46 13 o 71.85371 10.41315 58.73043       14.77196  55.71935       
17.10784  67.55378       29.28538  68.18562 12.80849 67.74049 19.92813 
0.4451294      23.68940 
1 1 1 -2  46 14 o 49.55759 13.08219 31.12452       13.37741  33.59182       
15.42843  23.65120       26.85147  50.52898 14.34599 43.23463 18.12765 
7.294353       23.11751 
1 1 1 -2  46 15 o 35.46894 13.56535 15.31852       13.65292  2.487785       
15.29214  65.72524       30.31006  29.04167 12.90935 59.60997 20.58100 
-30.56829      24.29462 
1 1 1 -2  47 1  o 59.96210 7.571996 38.17015       9.027076  59.32159       
12.22260  12.78731       13.38947  74.71094 8.178622 36.64945 13.55771 
38.06149       15.83355 
1 1 1 -2  47 2  o 31.69431 12.71689 6.618244       12.49431  -7.209594      
16.47007  25.36360       19.17632  28.46001 12.95458 47.51089 16.37216 
-19.05088      20.87747 
1 1 1 -2  47 3  o 25.56181 11.49009 -4.307653      12.47905  13.15522       
16.96589  -24.89155      18.41970  38.81363 15.04865 25.02442 12.07305 
13.78921       19.29302 
1 1 1 -2  47 4  o 102.5783 5.717233 109.1393       11.87853  112.8293       
14.08611  100.0559       22.10058  103.9249 6.701025 95.31868 11.64389 
8.606171       13.43443 
1 1 1 -2  47 5  o 87.82034 6.522256 80.60172       11.56464  83.61666       
13.61624  72.79654       21.90830  89.03480 7.593058 79.70511 14.02905 
9.329689       15.95207 
1 1 1 -2  47 6  o 31.35316 11.97381 8.258718       10.62758  18.92954       
12.36936  -21.83003      20.77065  41.20990 13.11366 27.84514 13.26900 
13.36477       18.65569 
1 1 1 -2  47 7  o 71.50869 10.22823 55.92488       14.44970  55.92488       
14.44970  0.000000       0.000000  71.50869 10.22823 ?        ?        
0.000000       10.22823 
1 1 1 -2  47 8  o 116.4159 6.023704 141.0928       14.21143  143.5000       
16.75190  134.9120       26.84241  116.8911 7.080836 109.9696 12.20930 
6.921471       14.11401 
1 1 1 -2  47 9  o 42.69698 13.48391 20.90159       13.09684  15.20421       
15.65812  34.17055       23.89576  39.00200 14.61498 52.70327 18.26957 
-13.70127      23.39605 
1 1 1 -2  47 10 o 36.12235 13.99445 11.99569       14.66340  23.54034       
18.70048  -6.433519      23.62739  45.08983 16.11687 33.81373 15.43968 
11.27610       22.31899 
1 1 1 -2  47 11 o 44.52967 13.87419 23.83894       13.91543  19.64701       
16.81531  32.94761       24.78708  41.59976 15.22562 50.53046 18.48698 
-8.930698      23.94970 
1 1 1 -2  47 12 o 41.54853 13.68621 20.93072       13.40463  18.36719       
15.44261  28.76580       26.99750  39.79093 14.58678 47.31125 18.78946 
-7.520317      23.78693 
1 1 1 -2  47 13 o 28.31936 12.38173 2.066520       13.53355  -3.304144      
15.45336  19.74278       28.03523  27.49049 12.52683 42.08847 18.11359 
-14.59799      22.02325 
1 1 1 -2  47 14 o 34.73889 13.40982 14.20549       13.42593  6.487859       
14.91024  47.28115       30.86718  30.76964 13.22545 50.68873 20.10356 
-19.91910      24.06378 
1 1 1 -2  47 15 o 47.16402 13.32265 30.76066       13.34092  33.65814       
14.81659  18.34955       30.66505  48.49448 14.14873 38.34115 17.53861 
10.15333       22.53418 
1 1 1 -2  48 1  o 104.4969 5.898627 113.5671       12.48324  124.1111       
14.53993  84.00386       24.34650  108.9552 6.593453 85.07977 14.59772 
23.87543       16.01771 
1 1 1 -2  48 2  o 43.66782 13.73382 21.70397       13.59948  25.09387       
17.55623  16.61824       21.50379  46.74688 15.67187 42.68418 16.82682 
4.062702       22.99455 
1 1 1 -2  48 3  o 42.06043 11.76886 20.02672       10.46205  17.39161       
12.33838  26.76859       19.73555  39.75108 13.13237 48.17545 16.60872 
-8.424370      21.17330 
1 1 1 -2  48 4  o 73.75327 7.598516 57.69342       11.23308  54.90327       
13.25128  64.81821       21.17533  71.17339 9.384489 74.53015 14.49349 
-3.356766      17.26644 
1 1 1 -2  48 5  o 168.1094 5.092526 291.7427       17.40911  286.9440       
21.23221  301.5876       30.41151  166.0664 6.287270 168.1131 8.927802 
-2.046753      10.91950 
1 1 1 -2  48 6  o 60.09545 11.63931 40.79183       13.71009  40.79183       
13.71009  0.000000       0.000000  60.09545 11.63931 ?        ?        
0.000000       11.63931 
1 1 1 -2  48 7  o 39.20087 13.86771 16.47088       13.81106  16.47088       
13.81106  0.000000       0.000000  39.20087 13.86771 ?        ?        
0.000000       13.86771 
1 1 1 -2  48 8  o 26.52901 11.59163 -0.3923063     11.84483  2.129570       
14.35156  -5.780382      20.97751  30.19818 12.97744 32.25341 14.65765 
-2.055231      19.57704 
1 1 1 -2  48 9  o 40.84582 14.84780 18.44030       15.95192  18.31760       
22.00500  18.57619       23.15797  42.68423 16.95977 43.19885 17.32011 
-0.5146217     24.24087 
1 1 1 -2  48 10 o 48.58835 13.38843 28.60861       13.65224  30.48345       
15.88874  23.31956       26.68680  49.52419 14.70735 45.68624 18.49557 
3.837948       23.63032 
1 1 1 -2  48 11 o 29.98616 12.69624 4.593472       13.38096  -8.267971      
15.73482  38.19464       25.43280  26.33390 12.22968 51.95312 18.76891 
-25.61921      22.40172 
1 1 1 -2  48 12 o 33.83342 13.23035 11.81621       13.20033  7.227356       
14.92364  28.31431       28.29695  31.93321 13.45814 45.45250 18.79574 
-13.51929      23.11712 
1 1 1 -2  48 13 o 33.48956 13.30413 12.24710       13.53895  -1.634447      
15.24817  63.96157       29.43099  27.40020 12.46931 59.79804 20.28999 
-32.39783      23.81527 
1 1 1 -2  48 14 o 29.32412 12.40929 7.220215       12.77200  12.44583       
14.16449  -15.50577      29.53883  32.94479 13.42389 30.68088 14.91653 
2.263914       20.06748 
1 1 1 -2  49 1  o 109.5914 7.277816 126.7045       16.12695  98.44667       
20.26953  175.4476       26.62137  94.53967 10.73359 126.7337 10.42203 
-32.19404      14.96091 
1 1 1 -2  49 2  o 31.01226 12.97373 4.404267       13.70657  5.492747       
17.85627  2.842973       21.38568  34.70946 14.67966 35.90739 15.63549 
-1.197929      21.44670 
1 1 1 -2  49 3  o 123.7917 5.307262 158.6214       13.36022  148.5481       
15.57264  186.7104       26.00432  119.1341 6.452034 131.2262 9.815911 
-12.09203      11.74652 
1 1 1 -2  49 4  o 122.0516 5.429610 154.3707       13.47608  164.0733       
16.08912  131.5627       24.66793  125.2556 6.337217 108.8724 11.30693 
16.38326       12.96175 
1 1 1 -2  49 5  o 82.68718 7.364315 72.54148       12.25327  77.90522       
14.34331  58.05407       23.57281  85.19775 8.387603 68.03198 17.06779 
17.16576       19.01739 
1 1 1 -2  49 6  o 46.51742 13.65654 25.59893       13.76558  25.59893       
13.76558  0.000000       0.000000  46.51742 13.65654 ?        ?        
0.000000       13.65654 
1 1 1 -2  49 7  o 46.08210 12.49365 24.92616       12.00189  27.21058       
14.29822  19.47756       22.08187  47.64112 13.89881 43.34790 17.06325 
4.293224       22.00753 
1 1 1 -2  49 8  o 94.84599 7.365504 95.95795       14.09461  79.11292       
16.38955  143.7915       27.61833  84.63403 9.697959 111.8100 12.35323 
-27.17593      15.70518 
1 1 1 -2  49 9  o 37.48808 14.77820 13.88979       16.58624  14.86579       
21.75769  12.53573       25.62749  40.02959 16.51108 40.50655 17.37269 
-0.4769592     23.96719 
1 1 1 -2  49 10 o 32.94675 13.11968 9.862046       13.19503  -0.8452707     
15.22741  42.13485       26.43650  28.66236 12.80158 53.53623 19.15985 
-24.87387      23.04301 
1 1 1 -2  49 11 o 23.48952 10.99385 -8.306867      13.12034  -11.31760      
14.96134  1.718182       27.30094  24.22243 11.46111 35.89211 16.46611 
-11.66967      20.06215 
1 1 1 -2  49 12 o 38.75179 13.38831 19.57155       12.82744  18.09192       
14.50813  24.87083       27.45641  37.59298 14.07177 41.99695 17.99609 
-4.403969      22.84456 
1 1 1 -2  49 13 o 31.18042 12.76422 10.27527       12.88162  8.093618       
14.26621  19.90617       29.97435  30.50323 13.01885 38.69308 17.55987 
-8.189854      21.85954 
1 1 1 -2  49 14 o 54.16351 12.55338 40.18821       13.55665  46.89020       
15.08268  12.00553       30.92914  57.98721 13.09975 35.13457 16.57956 
22.85264       21.13020 
1 1 1 -2  50 1  o 46.56876 14.10282 25.87189       14.50446  51.74655       
18.27862  -18.12365      23.83473  65.88129 14.07119 30.66278 14.49536 
35.21850       20.20183 
1 1 1 -2  50 2  o 72.19315 10.80586 58.37040       15.37601  50.43071       
19.25760  72.33357       25.53832  64.37543 14.99032 75.79656 16.98913 
-11.42113      22.65701 
1 1 1 -2  50 3  o 44.68008 12.10050 23.25025       11.26558  19.72167       
13.14858  32.99152       21.84673  41.34132 13.55182 51.22108 17.48076 
-9.879765      22.11852 
1 1 1 -2  50 4  o 60.52904 9.879636 40.76508       11.74105  45.89120       
13.69138  26.51859       22.82477  63.69983 10.96513 47.27579 17.65913 
16.42404       20.78651 
1 1 1 -2  50 5  o 47.55770 13.30305 27.05405       13.36961  27.05405       
13.36961  0.000000       0.000000  47.55770 13.30305 ?        ?        
0.000000       13.30305 
1 1 1 -2  50 6  o 34.26369 13.39958 10.67093       13.54095  10.67093       
13.54095  0.000000       0.000000  34.26369 13.39958 ?        ?        
0.000000       13.39958 
1 1 1 -2  50 7  o 66.88545 9.719266 50.02485       12.83266  54.88691       
15.01833  36.87175       24.70163  69.25184 11.03479 52.12610 18.53479 
17.12574       21.57093 
1 1 1 -2  50 8  o 52.15730 12.33090 32.73896       12.87246  36.22655       
15.34298  24.44860       23.65558  53.85622 13.91142 44.73684 17.64462 
9.119381       22.46910 
1 1 1 -2  50 9  o 30.51280 13.47198 1.857643       16.38263  0.5225856E-01  
21.75994  4.220091       24.89166  33.18203 15.01970 36.15232 16.24113 
-2.970291      22.12161 
1 1 1 -2  50 10 o 38.13130 13.83385 17.96600       13.83779  1.224961       
16.39906  59.35871       25.78633  29.79164 13.29698 61.74786 18.82734 
-31.95622      23.04947 
1 1 1 -2  50 11 o 105.0430 7.182461 121.2242       15.25031  103.0330       
17.33315  183.5640       32.08704  94.70616 9.112599 119.0232 13.49559 
-24.31704      16.28405 
1 1 1 -2  50 12 o 47.12286 13.08045 30.54463       12.97809  22.69597       
14.36162  65.49362       30.30560  39.76653 14.13352 56.04777 20.45129 
-16.28124      24.85985 
1 1 1 -2  50 13 o 22.06318 10.44474 -7.157462      12.45585  -11.37304      
13.75670  12.02334       29.34399  21.86279 10.51876 34.71725 16.31004 
-12.85445      19.40777 
1 1 1 -2  51 1  o 62.12745 14.86530 47.93005       18.52916  47.93005       
18.52916  0.000000       0.000000  62.12745 14.86530 ?        ?        
0.000000       14.86530 
1 1 1 -2  51 2  o 83.85831 7.762949 75.67280       13.08788  74.61940       
14.94660  79.13557       27.09931  82.46323 9.062628 77.72166 17.56002 
4.741577       19.76071 
1 1 1 -2  51 3  o 39.83334 12.90897 18.58850       11.94472  17.96466       
13.89184  20.35780       23.39494  39.56272 13.91760 43.41776 17.40828 
-3.855038      22.28784 
1 1 1 -2  51 4  o 108.7992 9.159799 129.9924       20.07722  129.9924       
20.07722  0.000000       0.000000  108.7992 9.159799 ?        ?        
0.000000       9.159799 
1 1 1 -2  51 5  o 40.99028 13.96341 20.09535       13.93931  20.09535       
13.93931  0.000000       0.000000  40.99028 13.96341 ?        ?        
0.000000       13.96341 
1 1 1 -2  51 6  o 82.83881 7.722666 74.39882       12.85929  77.29056       
14.93695  66.11872       25.27548  83.59832 8.924364 69.24348 17.83985 
14.35484       19.94754 
1 1 1 -2  51 7  o 31.29317 12.50650 8.572429       12.03221  -2.520047      
13.94007  40.98132       23.82773  26.75373 12.07380 53.12534 18.25332 
-26.37160      21.88516 
1 1 1 -2  51 8  o 80.90321 8.631671 73.00923       13.98153  81.71413       
16.34614  49.28049       26.98800  84.71671 9.661240 55.74216 19.41045 
28.97454       21.68191 
1 1 1 -2  51 9  o 30.00514 13.28666 2.830392       16.04938  7.014491       
20.78181  -3.352882      25.26340  34.18155 15.12843 32.94173 15.36417 
1.239822       21.56217 
1 1 1 -2  51 10 o 45.18709 15.27923 29.92134       16.68897  26.13916       
21.23584  36.03028       26.98865  41.78391 16.64220 45.68153 18.56217 
-3.897629      24.93024 
1 1 1 -2  51 11 o 56.04845 12.23797 41.46864       13.55739  44.08489       
15.36576  32.27474       28.80477  56.23903 13.58771 41.91959 18.19958 
14.31944       22.71234 
1 1 1 -2  51 12 o 27.93107 12.06965 6.510437       12.55021  15.75731       
13.99739  -31.39899      28.34153  33.74006 13.48751 26.52026 13.20946 
7.219799       18.87864 
1 1 1 -2  52 1  o 41.22053 15.82562 19.94649       18.62599  19.94649       
18.62599  0.000000       0.000000  41.22053 15.82562 ?        ?        
0.000000       15.82562 
1 1 1 -2  52 2  o 104.6231 8.514666 120.0685       17.95819  120.0685       
17.95819  0.000000       0.000000  104.6231 8.514666 ?        ?        
0.000000       8.514666 
1 1 1 -2  52 3  o 26.86502 12.08113 -2.181634      13.81348  -2.181634      
13.81348  0.000000       0.000000  26.86502 12.08113 ?        ?        
0.000000       12.08113 
1 1 1 -2  52 4  o 26.37936 12.03396 -4.228668      14.31175  -4.228668      
14.31175  0.000000       0.000000  26.37936 12.03396 ?        ?        
0.000000       12.03396 
1 1 1 -2  52 5  o 69.96485 10.85324 57.14033       14.94131  57.14033       
14.94131  0.000000       0.000000  69.96485 10.85324 ?        ?        
0.000000       10.85324 
1 1 1 -2  52 6  o 69.91639 9.066612 55.23936       12.58715  61.40927       
14.87443  39.67657       23.62353  72.71400 10.35163 51.29947 18.13809 
21.41454       20.88412 
1 1 1 -2  52 7  o 28.17225 12.08921 3.991866       12.42189  0.2051161      
14.66338  13.61625       23.37692  27.98450 12.52595 37.77956 16.39879 
-9.795067      20.63540 
1 1 1 -2  52 8  o 43.15053 14.22827 25.57833       14.48613  17.77176       
17.72370  41.28764       25.14217  37.65872 15.13339 49.52210 18.52690 
-11.86338      23.92207 
1 1 1 -2  52 9  o 94.06420 7.757970 99.51768       14.70726  101.8857       
16.95027  92.30413       29.58384  93.65582 9.011239 73.05165 19.53559 
20.60417       21.51376 
1 1 1 -2  52 10 o 71.65711 12.10603 67.43640       17.01209  85.53778       
21.84450  39.53679       27.11973  77.35260 14.41767 44.28232 18.36343 
33.07028       23.34705 
1 1 1 -2  52 11 o 24.82907 11.31845 0.3497288      12.63121  7.088808       
14.53010  -20.49713      25.55574  28.85953 12.71750 26.65522 13.14513 
2.204309       18.29014 
1 1 1 -2  52 12 o 26.97559 11.91927 5.961847       12.84774  12.17875       
14.33031  -19.50620      29.00456  30.57051 13.04783 27.27988 13.55053 
3.290628       18.81124 
1 1 1 -2  53 1  o 78.83500 9.798890 71.30711       15.37007  71.30711       
15.37007  0.000000       0.000000  78.83500 9.798890 ?        ?        
0.000000       9.798890 
1 1 1 -2  53 2  o 92.32813 8.335388 94.67208       15.48113  94.67208       
15.48113  0.000000       0.000000  92.32813 8.335388 ?        ?        
0.000000       8.335388 
1 1 1 -2  53 3  o 55.19103 13.14473 38.79760       14.54160  38.79760       
14.54160  0.000000       0.000000  55.19103 13.14473 ?        ?        
0.000000       13.14473 
1 1 1 -2  53 4  o 91.86771 11.81346 102.2381       21.55810  102.2381       
21.55810  0.000000       0.000000  91.86771 11.81346 ?        ?        
0.000000       11.81346 
1 1 1 -2  53 5  o 57.07883 11.37790 39.84430       12.74306  55.23659       
14.74309  -5.623333      25.33891  67.69991 11.09334 32.21677 15.14200 
35.48314       18.77078 
1 1 1 -2  53 6  o 42.09405 12.90631 23.37260       12.09662  2.452643       
14.03413  83.83599       23.85896  28.14396 12.44538 77.26549 15.71993 
-49.12153      20.05003 
1 1 1 -2  53 7  o 27.66338 11.98713 4.265865       12.44818  6.484256       
14.78478  -1.136353      23.07182  30.15855 13.06607 31.38816 14.65400 
-1.229609      19.63318 
1 1 1 -2  53 8  o 38.56461 14.16704 21.55906       14.57759  21.56964       
17.73006  21.53697       25.61049  38.14955 15.20282 38.18319 16.85209 
-0.3363800E-01 22.69623 
1 1 1 -2  53 9  o 43.93361 13.55124 28.64999       13.31305  29.43016       
15.44019  26.38917       26.28384  43.01453 14.69573 38.46811 17.02021 
4.546417       22.48671 
1 1 1 -2  53 10 o 30.45842 13.42156 10.27361       16.18191  -2.036188      
20.34728  31.45803       26.69250  27.78596 13.21038 38.50626 17.08886 
-10.72031      21.59961 
1 1 1 -2  53 11 o 37.96128 14.22867 25.17545       14.84316  25.17545       
14.84316  0.000000       0.000000  37.96128 14.22867 ?        ?        
0.000000       14.22867 
1 1 1 -2  54 1  o 36.02093 14.62678 15.52084       16.74432  -4.407450      
23.45608  36.22886       23.91056  31.13153 14.61160 46.85631 17.94453 
-15.72478      23.14098 
1 1 1 -2  54 2  o 65.94103 18.41428 70.19844       25.63942  70.19844       
25.63942  0.000000       0.000000  65.94103 18.41428 ?        ?        
0.000000       18.41428 
1 1 1 -2  54 3  f 99.82644 14.16479 133.4623       27.94809  133.4623       
27.94809  0.000000       0.000000  99.82644 14.16479 ?        ?        
0.000000       14.16479 
1 1 1 -2  54 4  o 27.17155 12.19517 1.039829       13.99981  7.625561       
17.57492  -10.39471      23.15799  32.00168 14.04767 29.12024 13.91366 
2.881441       19.77187 
1 1 1 -2  54 5  o 41.30981 13.26059 23.67307       12.62704  32.54644       
15.19068  3.834388       22.71379  47.25047 14.45896 32.32909 14.90065 
14.92137       20.76273 
1 1 1 -2  54 6  o 16.84613 8.405661 -24.88173      11.69056  -37.81180      
13.81890  7.666739       21.92492  16.73496 8.454051 32.69821 14.90807 
-15.96325      17.13830 
1 1 1 -2  54 7  o 51.88154 12.64266 37.36650       13.21623  24.62805       
15.65683  68.94135       24.64997  39.52050 14.65262 60.93517 18.36966 
-21.41466      23.49773 
1 1 1 -2  54 8  o 26.34045 12.37765 -2.145002      16.91733  13.69937       
21.59819  -27.29724      27.21249  33.01996 14.95348 26.16713 13.01885 
6.852829       19.82668 
1 1 1 -2  54 9  o 23.66102 11.49002 -11.28626      17.38933  -11.28626      
17.38933  0.000000       0.000000  23.66102 11.49002 ?        ?        
0.000000       11.49002 
1 1 1 -2  54 10 o 33.81963 14.85500 21.60397       19.68023  19.73659       
31.53309  22.79546       25.18801  32.78548 15.81206 33.65601 15.57481 
-0.8705254     22.19450 
1 1 1 -2  55 1  o 22.14561 10.20117 -3.122578      10.62496  1.140940       
12.16560  -16.83031      21.81384  25.38940 11.38366 26.26493 12.78090 
-0.8755341     17.11546 
1 1 1 -2  55 2  o 33.15527 12.61461 14.25511       11.76787  13.78519       
13.61626  15.64206       23.39256  33.04811 13.27011 35.51482 15.86413 
-2.466705      20.68251 
1 1 1 -2  55 3  o 25.84555 11.40453 2.937999       11.72312  2.005544       
13.65454  5.552481       22.86421  26.65751 11.99740 31.96873 14.80983 
-5.311211      19.05961 
1 1 1 -2  55 4  o 39.83795 13.01690 22.96744       12.13470  42.40281       
14.27507  -27.66126      23.03989  55.01903 12.97052 24.66318 12.22062 
30.35585       17.82071 
1 1 1 -2  55 5  o 37.04420 14.01816 21.19580       14.48278  21.19580       
14.48278  0.000000       0.000000  37.04420 14.01816 ?        ?        
0.000000       14.01816 
1 1 1 -2  55 6  o 27.66178 12.26817 5.910355       13.73531  5.910355       
13.73531  0.000000       0.000000  27.66178 12.26817 ?        ?        
0.000000       12.26817 
1 1 1 -2  55 7  o 24.12715 11.23057 -1.211022      13.39142  5.274507       
15.79303  -17.80477      25.26184  27.74913 12.65207 26.09179 12.90483 
1.657345       18.07234 
1 1 1 -2  55 8  o 27.44635 12.20623 7.577464       13.68802  -2.070721      
16.54119  28.53657       24.37981  25.11471 11.93178 35.61319 16.02924 
-10.49849      19.98259 
1 1 1 -2  55 9  o 21.32639 10.17895 -5.236766      12.32608  -1.434399      
14.26844  -16.42034      24.47033  23.72579 11.21580 24.86566 12.36713 
-1.139870      16.69551 
1 1 1 -2  56 1  o 53.21494 12.39074 40.29970       13.15821  40.29970       
13.15821  0.000000       0.000000  53.21494 12.39074 ?        ?        
0.000000       12.39074 
1 1 1 -2  56 2  o 59.91064 11.92530 49.61569       14.01779  49.61569       
14.01779  0.000000       0.000000  59.91064 11.92530 ?        ?        
0.000000       11.92530 
1 1 1 -2  56 3  o 23.52070 10.80239 -0.3459939     11.79423  11.21642       
13.69348  -33.57176      23.21279  29.99319 12.77685 23.08772 11.56821 
6.905474       17.23576 
1 1 1 -2  56 4  o 20.29052 9.742854 -8.555719      11.66726  -7.704382      
13.76211  -10.73117      21.99932  22.19429 10.63690 25.93868 12.66872 
-3.744390      16.54207 
1 1 1 -2  56 5  o 41.34616 13.07813 27.32849       12.31664  28.88516       
14.40909  23.10571       23.73216  40.63159 14.18107 34.27338 15.58131 
6.358204       21.06846 
1 1 1 -2  56 6  o 20.56769 9.858139 -6.989584      11.82608  -1.541573      
13.74580  -22.51061      23.20124  23.64590 11.12601 23.81796 11.87753 
-0.1720676     16.27464 
1 1 1 -2  56 7  o 26.52440 11.90945 7.247764       13.36556  -0.3738474     
15.96134  25.13270       24.45061  24.72791 11.74009 33.09588 15.32600 
-8.367973      19.30585 
1 1 1 -2  57 1  o 29.40638 11.76006 12.64448       10.64637  7.029689       
12.51662  27.33518       20.24610  26.37028 11.70256 35.24627 15.28016 
-8.875986      19.24664 
1 1 1 -2  57 2  o 25.14553 11.08170 5.767605       11.03466  13.77945       
13.29113  -12.00510      19.79578  29.99806 12.67476 23.83879 11.71973 
6.159271       17.26273 
1 1 1 -2  57 3  f 51.95139 11.43312 39.13691       11.75093  29.53615       
13.75186  65.11636       22.62162  40.35208 13.86682 52.44952 17.78861 
-12.09745      22.55490 
1 1 1 -2  57 4  o 16.72326 8.330187 -19.12573      11.27805  -24.55245      
13.29564  -5.203669      21.29570  17.40956 8.727784 25.35994 12.40259 
-7.950377      15.16570 
1 1 1 -2  57 5  o 20.90199 10.07032 -6.342441      12.71194  -5.292191      
15.71687  -8.329104      21.61631  22.88804 11.06905 24.58547 12.11765 
-1.697428      16.41223 
1 1 1 -2  57 6  o 33.45053 13.12333 21.34046       13.02082  19.25760       
15.71485  25.90199       23.25606  31.14982 13.48316 31.88790 14.82859 
-0.7380772     20.04203 
1 1 1 -2  58 1  o 22.79742 10.55321 2.367642       11.57783  -12.19282      
14.30450  30.02396       19.71434  20.04346 9.874801 33.75197 14.84556 
-13.70851      17.82981 
1 1 1 -2  58 2  o 42.00936 12.95196 31.54831       12.16312  35.52619       
15.35070  24.83819       19.93734  40.42757 14.58523 31.64977 14.34693 
8.777802       20.45883 
1 1 1 -2  58 3  o 24.97140 11.04430 7.702708       11.05664  15.68136       
13.13127  -11.73461      20.49559  29.26030 12.48937 22.84472 11.35487 
6.415585       16.87950 
1 1 1 -2  58 4  o 20.88536 9.888690 -1.457883      11.17343  -2.618382      
13.53287  1.027542       19.80468  21.77743 10.46641 24.76574 12.07911 
-2.988310      15.98282 
1 1 1 -1  0  1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -1  0  2  o 415.0172 5.715340 1752.580       48.21409  1752.580       
48.21409  1752.580       48.21409  415.0172 5.715340 415.0172 5.715340 
0.000000       0.000000 
1 1 1 -1  0  3  o 326.7567 4.997719 1086.523       33.19089  1086.523       
33.19089  1086.523       33.19089  326.7567 4.997719 326.7567 4.997719 
0.000000       0.000000 
1 1 1 -1  0  4  o 369.6834 5.444912 1390.762       40.91287  1390.762       
40.91287  1390.762       40.91287  369.6834 5.444912 369.6834 5.444912 
0.000000       0.000000 
1 1 1 -1  0  5  o 461.0813 6.346134 2163.644       59.47752  2163.644       
59.47752  2163.644       59.47752  461.0813 6.346134 461.0813 6.346134 
0.000000       0.000000 
1 1 1 -1  0  6  o 20.95177 12.99021 3.016194       11.03656  3.016194       
11.03656  3.016194       11.03656  20.95177 12.99021 20.95177 12.99021 
0.000000       0.000000 
1 1 1 -1  0  7  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -1  0  8  o 232.6202 5.145591 551.2509       24.31387  551.2509       
24.31387  551.2509       24.31387  232.6202 5.145591 232.6202 5.145591 
0.000000       0.000000 
1 1 1 -1  0  9  o 24.16900 14.11692 7.032450       11.54692  7.032450       
11.54692  7.032450       11.54692  24.16900 14.11692 24.16900 14.11692 
0.000000       0.000000 
1 1 1 -1  0  10 o 345.4887 5.970692 1215.192       41.91962  1215.192       
41.91962  1215.192       41.91962  345.4887 5.970692 345.4887 5.970692 
0.000000       0.000000 
1 1 1 -1  0  11 o 426.8256 6.629580 1854.492       57.51110  1854.492       
57.51110  1854.492       57.51110  426.8256 6.629580 426.8256 6.629580 
0.000000       0.000000 
1 1 1 -1  0  12 o 137.3433 7.764843 193.7586       21.52806  193.7586       
21.52806  193.7586       21.52806  137.3433 7.764843 137.3433 7.764843 
0.000000       0.000000 
1 1 1 -1  0  13 o 1047.786 12.70921 11195.89       270.7064  11195.89       
270.7064  11195.89       270.7064  1047.786 12.70921 1047.786 12.70921 
0.000000       0.000000 
1 1 1 -1  0  14 o 609.8743 11.82528 3798.252       146.5328  3798.252       
146.5328  3798.252       146.5328  609.8743 11.82528 609.8743 11.82528 
0.000000       0.000000 
1 1 1 -1  0  15 o 74.07496 16.60516 63.90747       21.83776  63.90747       
21.83776  63.90747       21.83776  74.07496 16.60516 74.07496 16.60516 
0.000000       0.000000 
1 1 1 -1  0  16 o 431.6210 7.096201 1900.401       62.24654  1900.401       
62.24654  1900.401       62.24654  431.6210 7.096201 431.6210 7.096201 
0.000000       0.000000 
1 1 1 -1  0  17 o 242.5752 6.666630 601.3702       32.82931  601.3702       
32.82931  601.3702       32.82931  242.5752 6.666630 242.5752 6.666630 
0.000000       0.000000 
1 1 1 -1  0  18 o 206.1007 10.42410 439.0038       43.43373  439.0038       
43.43373  439.0038       43.43373  206.1007 10.42410 206.1007 10.42410 
0.000000       0.000000 
1 1 1 -1  0  19 o 164.8563 8.365913 280.4468       27.88115  280.4468       
27.88115  280.4468       27.88115  164.8563 8.365913 164.8563 8.365913 
0.000000       0.000000 
1 1 1 -1  0  20 o 73.65761 19.01970 66.96220       24.62175  66.96220       
24.62175  66.96220       24.62175  73.65761 19.01970 73.65761 19.01970 
0.000000       0.000000 
1 1 1 -1  0  21 o 185.5136 8.715591 356.3183       32.71406  356.3183       
32.71406  356.3183       32.71406  185.5136 8.715591 185.5136 8.715591 
0.000000       0.000000 
1 1 1 -1  0  22 o 34.72404 20.95798 15.56630       27.04555  15.56630       
27.04555  15.56630       27.04555  34.72404 20.95798 34.72404 20.95798 
0.000000       0.000000 
1 1 1 -1  0  23 o 146.6624 15.97822 243.9811       46.21908  243.9811       
46.21908  243.9811       46.21908  146.6624 15.97822 146.6624 15.97822 
0.000000       0.000000 
1 1 1 -1  0  24 o 21.21611 14.94883 -21.36955      25.48777  -21.36955      
25.48777  -21.36955      25.48777  21.21611 14.94883 21.21611 14.94883 
0.000000       0.000000 
1 1 1 -1  1  1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -1  1  2  o 303.0507 3.340446 933.9095       20.58596  946.4360       
29.35245  921.7836       28.87921  305.0578 4.731631 301.0588 4.717181 
3.998993       6.681327 
1 1 1 -1  1  3  o 609.7618 5.429009 3781.738       67.31817  3928.990       
98.32021  3651.788       92.36331  621.4070 7.780637 599.0958 7.581442 
22.31128       10.86354 
1 1 1 -1  1  4  f 380.8779 3.916128 1475.309       30.33151  1455.843       
42.51952  1495.480       43.28109  378.3178 5.526881 383.4326 5.550828 
-5.114807      7.833142 
1 1 1 -1  1  5  o 225.4019 3.225247 516.6758       14.78332  515.4795       
20.90122  517.8734       20.91233  225.1196 4.565695 225.6419 4.557548 
-0.5222931     6.451109 
1 1 1 -1  1  6  o 337.3814 5.367722 1158.252       36.82668  1164.641       
52.34213  1151.988       51.82332  338.1773 7.611242 336.3376 7.577018 
1.839630       10.73975 
1 1 1 -1  1  7  o 349.1636 3.937715 1240.256       27.95920  1226.736       
39.19235  1254.268       39.89764  347.1638 5.551566 351.0353 5.589139 
-3.871521      7.877713 
1 1 1 -1  1  8  o 246.2536 3.665664 616.8278       18.35637  672.2751       
26.77795  567.6745       25.21237  257.0335 5.123139 236.1877 5.249342 
20.84581       7.334995 
1 1 1 -1  1  9  o 162.3955 3.926508 268.2415       12.96677  309.0367       
18.96648  232.4402       17.76773  174.2806 5.351634 151.1386 5.781029 
23.14200       7.877835 
1 1 1 -1  1  10 o 554.6441 5.350298 3129.481       60.34536  3077.239       
84.11641  3184.881       86.62115  549.8577 7.522790 559.3852 7.614853 
-9.527466      10.70413 
1 1 1 -1  1  11 f 120.2205 5.328243 147.0188       13.02609  140.4122       
18.15692  154.0253       18.69837  117.2106 7.659820 122.7944 7.524425 
-5.583755      10.73731 
1 1 1 -1  1  12 o 387.4416 4.620597 1526.851       36.40456  1458.582       
49.99912  1603.876       53.10918  378.6118 6.494067 397.0177 6.578218 
-18.40588      9.243692 
1 1 1 -1  1  13 o 729.7922 6.665174 5420.771       98.91499  5464.760       
140.9651  5378.102       138.8331  732.3694 9.465208 726.5501 9.396711 
5.819275       13.33748 
1 1 1 -1  1  14 o 209.5569 6.906624 447.1811       29.43196  404.2171       
40.88184  493.4088       42.40617  198.8050 10.14612 219.9750 9.479912 
-21.17001      13.88569 
1 1 1 -1  1  15 o 555.4675 5.605464 3141.614       63.31720  3130.077       
89.40051  3153.225       89.68826  554.0538 7.934812 556.0995 7.931068 
-2.045715      11.21887 
1 1 1 -1  1  16 o 338.4584 4.702961 1166.294       32.36892  1195.749       
46.47581  1138.548       45.10795  342.4756 6.673381 334.1885 6.637587 
8.287109       9.412310 
1 1 1 -1  1  17 o 248.3080 4.783866 627.9783       24.15578  661.4338       
35.16416  598.0842       33.23987  254.6159 6.791463 242.1209 6.751117 
12.49495       9.576093 
1 1 1 -1  1  18 o 154.0866 8.395426 243.6114       26.20704  223.9904       
36.84193  263.7092       37.28679  146.9216 12.44822 159.7082 11.55905 
-12.78667      16.98734 
1 1 1 -1  1  19 o 239.2110 5.021642 583.3342       24.42746  588.7531       
34.78763  578.0635       34.30865  240.0022 7.127844 237.8194 7.094225 
2.182877       10.05655 
1 1 1 -1  1  20 o 102.3418 8.990663 108.3104       18.52125  93.83658       
26.63907  121.8538       25.76863  93.92262 14.40742 107.9461 11.93893 
-14.02344      18.71127 
1 1 1 -1  1  21 o 162.8704 6.712155 271.3247       22.23082  294.4510       
32.42273  250.8062       30.53994  168.9166 9.477279 155.8025 9.687197 
13.11409       13.55214 
1 1 1 -1  1  22 o 173.5730 9.538157 311.9497       33.53738  311.9497       
33.53738  0.000000       0.000000  173.5730 9.538157 ?        ?        
0.000000       9.538157 
1 1 1 -1  1  23 f 61.46675 19.95864 41.84972       28.54489  18.11537       
41.22341  63.71260       39.56479  54.99619 22.70968 73.91248 23.44627 
-18.91629      32.64134 
1 1 1 -1  1  24 o 54.25269 15.24057 33.38890       17.50871  32.05768       
25.17535  34.63596       24.36656  54.07080 18.75185 55.47610 18.46100 
-1.405308      26.31426 
1 1 1 -1  2  1  f 851.2589 10.17574 7376.081       176.1486  7376.081       
176.1486  0.000000       0.000000  851.2589 10.17574 ?        ?        
0.000000       10.17574 
1 1 1 -1  2  2  o 364.6397 3.714277 1352.120       27.54163  1290.966       
37.75656  1421.666       40.26371  356.2721 5.211457 373.8704 5.295918 
-17.59833      7.430077 
1 1 1 -1  2  3  o 284.9769 3.302927 825.8417       19.14080  823.8300       
27.02183  827.8676       27.11678  284.6112 4.668865 285.3078 4.673832 
-0.6965332     6.606285 
1 1 1 -1  2  4  o 929.0012 7.849190 8782.591       148.2834  9017.540       
215.0745  8569.725       204.7174  940.9261 11.24041 917.3024 10.97465 
23.62366       15.70955 
1 1 1 -1  2  5  o 147.2293 3.146091 220.4398       9.419261  224.3864       
13.38251  216.5651       13.26003  148.5279 4.430758 145.9159 4.468797 
2.611984       6.292993 
1 1 1 -1  2  6  o 651.7829 8.254926 4327.589       109.4127  4524.859       
160.7196  4157.200       149.3689  665.8038 11.87056 638.2560 11.50837 
27.54779       16.53338 
1 1 1 -1  2  7  o 373.9552 4.064197 1422.685       30.90621  1409.058       
43.46367  1436.622       43.95646  372.0540 5.744723 375.6748 5.753859 
-3.620819      8.130728 
1 1 1 -1  2  8  f 413.4460 4.357496 1739.032       36.63593  1761.977       
52.24303  1716.830       51.38956  416.0447 6.175000 410.6816 6.153443 
5.363068       8.717539 
1 1 1 -1  2  9  o 821.6434 7.163207 6872.346       119.6857  6739.948       
166.1979  7014.975       172.5002  813.2222 10.04997 829.6142 10.22497 
-16.39197      14.33709 
1 1 1 -1  2  10 o 541.4343 5.269472 2982.135       58.01820  3014.884       
82.74162  2950.459       81.37568  544.2630 7.475905 538.4195 7.432286 
5.843506       10.54173 
1 1 1 -1  2  11 o 316.4337 4.211471 1018.376       27.09991  1038.417       
38.85095  999.3856       37.81997  319.4866 5.979951 313.4261 5.933822 
6.060425       8.424373 
1 1 1 -1  2  12 o 67.25354 9.780754 47.02856       12.98442  48.38123       
18.43263  45.69621       18.29363  67.63927 13.86665 65.67413 14.11787 
1.965134       19.78884 
1 1 1 -1  2  13 o 246.2122 6.475801 616.9652       32.42310  616.9652       
32.42310  0.000000       0.000000  246.2122 6.475801 ?        ?        
0.000000       6.475801 
1 1 1 -1  2  14 o 366.0966 9.298258 1366.516       69.22272  1366.516       
69.22272  0.000000       0.000000  366.0966 9.298258 ?        ?        
0.000000       9.298258 
1 1 1 -1  2  15 o 363.8323 4.700974 1347.286       34.78087  1294.025       
48.03501  1405.984       50.42730  356.3916 6.627945 371.4842 6.675350 
-15.09253      9.406910 
1 1 1 -1  2  16 o 315.3170 4.641860 1012.234       29.76397  1056.509       
43.13692  972.0012       41.12066  321.9269 6.589317 308.7885 6.548585 
13.13843       9.289944 
1 1 1 -1  2  17 o 70.45827 10.70001 52.03489       14.84887  90.41416       
20.87229  12.70571       21.12901  93.20366 11.23926 43.35168 16.79780 
49.85198       20.21107 
1 1 1 -1  2  18 o 167.4039 8.038857 286.5657       27.36599  240.2367       
38.41116  334.3217       38.99823  152.1682 12.52436 180.1150 10.69537 
-27.94678      16.46969 
1 1 1 -1  2  19 o 218.8437 5.198104 488.3253       23.13292  509.0555       
33.59137  469.6258       31.90361  223.1190 7.403547 214.3174 7.320337 
8.801575       10.41152 
1 1 1 -1  2  20 o 356.1085 5.180539 1293.486       37.51532  1300.704       
53.35053  1286.427       52.76369  356.5274 7.358586 354.5778 7.317661 
1.949615       10.37771 
1 1 1 -1  2  21 o 291.5114 5.376387 867.3585       31.87113  886.6428       
45.27792  848.4202       44.87001  294.1817 7.568667 287.7420 7.668342 
6.439697       10.77442 
1 1 1 -1  2  22 o 152.2549 7.205042 237.7910       22.30793  234.0180       
31.99179  241.3618       31.12252  149.9393 10.55978 152.4342 10.09735 
-2.494919      14.61045 
1 1 1 -1  2  23 o 112.8652 11.26910 134.6954       25.51853  108.9249       
42.67177  149.0426       31.83917  96.28929 22.24103 117.8178 13.53500 
-21.52848      26.03574 
1 1 1 -1  2  24 o 32.74821 14.22446 -0.4675738     17.61246  26.49882       
25.81625  -23.94615      24.08893  51.10122 18.84091 30.69631 14.52978 
20.40491       23.79274 
1 1 1 -1  3  1  o 685.4343 6.862396 4779.420       95.65179  4759.834       
116.6596  4819.598       167.0847  683.9421 8.387829 687.9527 11.94337 
-4.010559      14.59451 
1 1 1 -1  3  2  o 238.9726 3.000508 580.7126       14.58123  548.6004       
20.10471  616.3489       21.17918  232.2594 4.256701 246.1836 4.230566 
-13.92419      6.001432 
1 1 1 -1  3  3  o 213.1146 2.969765 461.8427       12.87024  411.7230       
17.41308  522.1889       19.10719  201.2076 4.255788 226.5990 4.146554 
-25.39142      5.941855 
1 1 1 -1  3  4  o 444.8330 4.324745 2012.478       39.12091  2032.851       
55.71864  1992.671       54.94023  447.0190 6.129472 442.5801 6.104458 
4.438843       8.650713 
1 1 1 -1  3  5  o 53.28390 4.903729 29.12595       5.253790  28.14897       
7.338312  30.15333       7.525173  52.11023 7.110645 53.97896 7.021774 
-1.868729      9.993326 
1 1 1 -1  3  6  o 374.8422 5.673796 1429.937       43.24876  1542.755       
64.24408  1336.435       58.48652  389.1616 8.118051 362.2206 7.940196 
26.94101       11.35559 
1 1 1 -1  3  7  o 247.2988 3.531492 622.0911       17.75954  652.5159       
25.59721  593.8522       24.66053  253.2201 4.970992 241.5673 5.020105 
11.65282       7.064858 
1 1 1 -1  3  8  o 284.8970 3.762983 825.6199       21.80075  897.5073       
32.00764  763.4110       29.77512  296.9798 5.299993 273.8949 5.345867 
23.08487       7.527830 
1 1 1 -1  3  9  o 424.4391 4.491338 1832.536       38.76525  1769.770       
53.67186  1900.987       56.05014  417.0125 6.329161 432.1924 6.377466 
-15.17990      8.985006 
1 1 1 -1  3  10 o 264.9734 4.009485 714.0837       21.60440  714.7300       
30.49149  713.4321       30.61537  265.0560 5.657044 264.8145 5.685207 
0.2415466      8.020207 
1 1 1 -1  3  11 o 531.7233 5.266821 2875.965       56.94895  3007.098       
83.42163  2761.517       77.93407  543.5848 7.546749 520.9274 7.356967 
22.65747       10.53937 
1 1 1 -1  3  12 o 394.8701 4.692995 1585.992       37.68390  1507.735       
51.44344  1676.610       55.35773  384.9322 6.571951 405.9110 6.706501 
-20.97888      9.389766 
1 1 1 -1  3  13 o 701.8119 6.486526 5012.904       92.57299  4899.926       
128.4570  5134.974       133.5261  693.5275 9.108408 709.9456 9.248891 
-16.41803      12.98095 
1 1 1 -1  3  14 o 316.3707 5.342946 1018.632       34.37387  950.5667       
57.31099  1056.875       42.95840  305.3367 9.230123 322.1790 6.556913 
-16.84235      11.32203 
1 1 1 -1  3  15 o 188.3540 5.060949 361.1456       19.38465  320.4488       
26.93248  404.8891       27.92240  177.3013 7.469869 199.3351 6.888386 
-22.03380      10.16114 
1 1 1 -1  3  16 o 183.3480 5.098764 342.3435       19.01045  353.3138       
27.18545  331.8454       26.59399  186.1174 7.182870 180.3690 7.250538 
5.748489       10.20607 
1 1 1 -1  3  17 o 178.9590 5.237741 326.3089       19.06114  315.1130       
26.93453  337.5414       26.97856  175.6671 7.539937 181.8360 7.296044 
-6.168961      10.49204 
1 1 1 -1  3  18 o 59.19125 17.32692 37.28897       22.18789  19.83858       
30.05643  58.18690       32.89172  52.14481 20.08224 73.27562 20.99535 
-21.13081      29.05342 
1 1 1 -1  3  19 o 264.8235 5.016667 714.9547       27.01613  713.0111       
38.31763  716.8759       38.09647  264.1082 7.134529 264.8349 7.073886 
-0.7267151     10.04696 
1 1 1 -1  3  20 o 89.61478 10.05882 83.63283       18.01415  81.86370       
25.36546  85.43310       25.58771  87.48860 14.78419 89.47932 14.56322 
-1.990715      20.75234 
1 1 1 -1  3  21 o 90.53031 10.79327 85.76733       19.47832  126.0589       
28.03006  48.14094       27.08715  109.4477 12.83791 66.34444 19.06562 
43.10326       22.98499 
1 1 1 -1  3  22 o 50.37967 16.21629 26.54756       18.87354  12.97934       
26.85149  39.79658       26.53377  46.43930 18.63932 60.71059 19.19465 
-14.27128      26.75554 
1 1 1 -1  3  23 o 160.6442 8.155231 267.3183       26.55375  240.1776       
45.81732  281.0452       32.58403  148.7989 15.36294 164.0591 9.811812 
-15.26022      18.22886 
1 1 1 -1  3  24 o 50.52425 15.97859 28.46873       18.38620  22.76566       
25.94875  34.21886       26.05560  49.16962 18.72614 55.43885 19.08534 
-6.269234      26.73796 
1 1 1 -1  4  1  o 1034.794 9.950812 10899.49       209.3938  10871.26       
255.7373  10956.89       364.7337  1033.172 12.17222 1036.365 17.30660 
-3.192749      21.15849 
1 1 1 -1  4  2  o 324.8336 3.476095 1073.010       22.96170  1013.164       
31.35474  1142.222       33.71956  315.6237 4.885197 335.1224 4.947970 
-19.49863      6.953241 
1 1 1 -1  4  3  o 360.1821 3.738785 1319.294       27.38445  1307.130       
38.50655  1331.742       38.95221  358.4864 5.282146 361.8453 5.293681 
-3.358887      7.478243 
1 1 1 -1  4  4  o 316.3675 3.551255 1017.857       22.84679  1026.325       
32.45153  1009.534       32.17080  317.6511 5.023812 315.0419 5.021600 
2.609192       7.103179 
1 1 1 -1  4  5  o 565.7776 5.188690 3256.508       59.69733  3146.134       
82.04559  3380.682       87.02369  555.9606 7.257045 576.2972 7.425736 
-20.33667      10.38298 
1 1 1 -1  4  6  o 67.72050 7.124582 47.21507       9.664251  64.88100       
13.77514  30.09165       13.56198  79.32237 8.681549 53.21435 12.70775 
26.10802       15.39013 
1 1 1 -1  4  7  o 292.6429 5.223442 871.5880       31.08467  871.5880       
31.08467  0.000000       0.000000  292.6429 5.223442 ?        ?        
0.000000       5.223442 
1 1 1 -1  4  8  o 358.0264 4.072356 1303.957       29.64915  1269.152       
41.28108  1341.040       42.61099  353.1305 5.748631 362.9923 5.772617 
-9.861877      8.146770 
1 1 1 -1  4  9  o 349.4716 4.095560 1242.252       29.10560  1229.801       
40.90931  1255.016       41.41849  347.6501 5.786665 351.1954 5.799546 
-3.545349      8.192694 
1 1 1 -1  4  10 o 308.5223 4.123956 968.1081       25.87331  1021.481       
37.58594  920.0381       35.66997  316.8656 5.833093 300.7204 5.832952 
16.14520       8.249140 
1 1 1 -1  4  11 f 522.6002 5.215082 2778.105       55.42200  2879.580       
80.55408  2686.897       76.37025  531.9395 7.446873 513.8427 7.308742 
18.09680       10.43425 
1 1 1 -1  4  12 o 435.2031 4.845468 1926.596       42.88240  1884.610       
59.83223  1970.943       61.49154  430.3438 6.837041 440.0885 6.871063 
-9.744659      9.693124 
1 1 1 -1  4  13 o 398.7715 4.762005 1617.722       38.61583  1612.135       
54.41202  1623.392       54.81224  397.9757 6.723368 399.3610 6.749327 
-1.385284      9.526651 
1 1 1 -1  4  14 o 335.5190 5.349006 1145.693       36.49570  1118.980       
61.70087  1160.069       45.26265  331.2806 9.158913 337.5341 6.594333 
-6.253540      11.28587 
1 1 1 -1  4  15 o 192.8249 4.996798 378.4908       19.59324  364.7741       
27.33894  392.9762       28.09457  189.1857 7.106274 196.3675 7.035605 
-7.181778      9.999944 
1 1 1 -1  4  16 o 182.0015 5.140666 337.3503       19.02592  397.5643       
27.97881  285.5558       25.94911  197.4427 6.968458 167.2838 7.628114 
30.15892       10.33187 
1 1 1 -1  4  17 o 78.18743 9.415054 63.46329       14.66868  92.06375       
21.08247  36.62527       20.42256  94.05148 11.24616 58.59150 16.46017 
35.45998       19.93523 
1 1 1 -1  4  18 o 91.04131 12.82812 87.12030       23.09098  90.22910       
32.94273  84.11758       32.37582  91.30801 18.37802 88.02807 18.66526 
3.279945       26.19434 
1 1 1 -1  4  19 f 227.1078 7.266087 527.3582       33.55708  527.3582       
33.55708  0.000000       0.000000  227.1078 7.266087 ?        ?        
0.000000       7.266087 
1 1 1 -1  4  20 f 180.1891 6.118811 331.6060       22.42059  336.5267       
32.35132  327.0583       31.10065  181.0925 8.784967 178.5672 8.564781 
2.525269       12.26911 
1 1 1 -1  4  21 o 206.6351 5.897548 436.1819       24.78147  400.2054       
34.84374  473.0073       35.25242  197.3919 8.680486 214.7424 8.072715 
-17.35057      11.85409 
1 1 1 -1  4  22 o 209.8353 5.997335 450.5025       25.59106  444.4439       
35.76795  456.8567       36.62989  207.7771 8.465351 210.6319 8.551850 
-2.854782      12.03313 
1 1 1 -1  4  23 o 203.0609 7.296176 424.8033       30.12819  385.1180       
53.03975  443.7078       36.60743  189.7160 13.84377 206.9610 8.698195 
-17.24500      16.34957 
1 1 1 -1  4  24 o 68.28758 13.76564 52.16806       18.45550  55.15488       
26.03043  49.14909       26.17017  68.34480 18.34515 64.49161 18.80034 
3.853195       26.26780 
1 1 1 -1  5  1  o 174.9630 3.099076 311.2876       11.02630  324.1958       
13.60930  286.6251       18.81144  178.5492 3.748232 167.8691 5.510611 
10.68013       6.664539 
1 1 1 -1  5  2  o 275.6641 3.201285 772.7421       17.94552  758.0991       
25.13487  787.9677       25.62996  273.0231 4.527160 278.3496 4.527995 
-5.326477      6.402961 
1 1 1 -1  5  3  o 129.6362 2.825191 170.8910       7.447758  170.2964       
10.62226  171.4660       10.44541  129.4034 4.036635 129.8476 3.955854 
-0.4441681     5.651832 
1 1 1 -1  5  4  o 253.5000 3.251866 653.5065       16.76340  704.4768       
24.57106  609.1244       22.92818  263.1785 4.591156 244.7201 4.607322 
18.45844       6.504316 
1 1 1 -1  5  5  o 55.91896 4.965367 32.06166       5.587532  33.83428       
7.945558  30.32742       7.859079  57.23302 6.970945 54.08993 7.334164 
3.143093       10.11850 
1 1 1 -1  5  6  o 213.6236 4.721205 464.3223       20.50942  492.4765       
29.62533  438.4096       28.42151  219.9313 6.624067 207.5030 6.735524 
12.42834       9.446987 
1 1 1 -1  5  7  f 273.6927 5.163165 762.3489       28.73629  762.3489       
28.73629  0.000000       0.000000  273.6927 5.163165 ?        ?        
0.000000       5.163165 
1 1 1 -1  5  8  o 283.3731 3.769947 816.8032       21.72427  882.8052       
31.79025  758.9778       29.75605  294.5402 5.307598 273.1010 5.357973 
21.43918       7.541782 
1 1 1 -1  5  9  o 348.5815 4.100349 1235.925       29.06542  1268.848       
41.60563  1204.541       40.62145  353.1280 5.793867 344.0627 5.805859 
9.065369       8.202249 
1 1 1 -1  5  10 o 348.1046 4.258354 1232.473       30.14415  1226.775       
42.45884  1238.264       42.80378  347.2449 6.012856 348.8664 6.033530 
-1.621521      8.518094 
1 1 1 -1  5  11 o 1102.681 9.341306 12380.26       209.4638  12307.20       
294.6392  12454.92       297.8398  1098.659 13.18791 1105.218 13.25206 
-6.558716      18.69594 
1 1 1 -1  5  12 f 505.4949 5.234366 2599.417       53.80619  2592.716       
76.20060  2606.082       75.98676  504.7129 7.424420 506.0150 7.384533 
-1.302094      10.47155 
1 1 1 -1  5  13 o 564.0292 5.599412 3237.101       64.22372  3186.444       
89.83299  3290.062       91.85281  559.3875 7.897174 568.4045 7.946640 
-9.017029      11.20332 
1 1 1 -1  5  14 o 556.3796 6.443412 3151.948       72.90186  3126.872       
125.1610  3164.823       89.68605  553.3873 11.12215 557.3144 7.913584 
-3.927063      13.65016 
1 1 1 -1  5  15 o 45.34278 14.11204 20.96665       14.40110  44.68917       
20.47510  -2.257915      20.25907  64.64185 15.72632 35.50613 15.33892 
29.13572       21.96815 
1 1 1 -1  5  16 o 234.6985 4.733729 560.8606       22.59254  565.2900       
32.09676  556.5109       31.80657  235.4566 6.703458 233.6219 6.695020 
1.834686       9.474156 
1 1 1 -1  5  17 o 78.10873 9.505692 63.36996       14.78721  50.26541       
20.70227  77.02005       21.12880  68.39001 15.27187 85.65151 12.49891 
-17.26151      19.73456 
1 1 1 -1  5  18 o 93.38174 12.05541 91.26102       22.35807  69.22214       
30.00330  118.7816       33.52762  79.70341 18.81373 105.7270 16.10291 
-26.02357      24.76409 
1 1 1 -1  5  19 o 38.75051 14.57900 11.69767       15.61152  14.08393       
21.88947  9.227394       22.27154  44.39959 17.12716 42.14023 16.95368 
2.259354       24.09910 
1 1 1 -1  5  20 o 30.85942 13.60638 -4.383107      16.65505  18.74162       
23.45665  -27.89493      23.65216  47.77275 17.89066 30.15578 14.30959 
17.61697       22.90938 
1 1 1 -1  5  21 o 88.61943 10.84306 82.28082       19.13272  56.62321       
27.16447  107.5392       26.95229  71.63409 18.51383 100.7690 13.49141 
-29.13489      22.90808 
1 1 1 -1  5  22 o 28.33781 13.16133 -15.05351      18.22914  -24.98068      
26.26075  -5.821561      25.32452  32.92921 15.45699 37.80943 16.71884 
-4.880219      22.76924 
1 1 1 -1  5  23 o 45.65497 17.53723 17.16038       22.88020  22.19968       
43.52090  15.23556       26.89725  57.14462 23.43526 46.83012 18.70497 
10.31450       29.98478 
1 1 1 -1  5  24 o 29.11083 13.24358 -8.314319      17.18329  3.579677       
25.02239  -18.92891      23.63832  39.95573 17.15223 31.55886 14.76612 
8.396868       22.63266 
1 1 1 -1  6  1  o 321.0175 3.965159 1047.998       25.88456  1019.146       
31.08963  1113.185       46.73090  316.5534 4.829666 330.7866 6.947120 
-14.23322      8.460979 
1 1 1 -1  6  2  o 724.7515 6.257936 5343.327       92.22990  5388.334       
131.4535  5299.690       129.4354  727.6173 8.884190 721.6124 8.820592 
6.004944       12.51925 
1 1 1 -1  6  3  o 145.1598 2.835712 214.2705       8.370665  225.0268       
12.01363  204.1212       11.66968  148.7508 3.971583 141.6721 4.050636 
7.078705       5.672841 
1 1 1 -1  6  4  o 288.3765 3.417034 845.7201       20.03828  874.5944       
28.84952  818.8050       27.85354  293.2289 4.838161 283.7227 4.827641 
9.506256       6.834758 
1 1 1 -1  6  5  o 214.4386 3.230637 467.6652       14.08778  473.5969       
19.96453  461.7825       19.88198  215.7679 4.550097 213.0587 4.588904 
2.709183       6.462308 
1 1 1 -1  6  6  o 183.1890 4.721336 341.4563       17.58797  338.3508       
24.82130  344.5879       24.92533  182.2873 6.696019 183.9611 6.662904 
-1.673767      9.446214 
1 1 1 -1  6  7  o 322.5786 3.833187 1058.561       25.14473  1082.324       
35.97797  1035.870       35.15630  326.0952 5.425514 319.0207 5.419171 
7.074432       7.668351 
1 1 1 -1  6  8  o 330.5791 3.961962 1111.646       26.63405  1094.829       
37.32880  1129.086       38.01299  327.9960 5.596597 333.0871 5.612065 
-5.091125      7.925729 
1 1 1 -1  6  9  o 280.3423 3.869701 799.3586       22.06060  825.2445       
31.60416  774.7606       30.80789  284.7990 5.457006 275.9492 5.490115 
8.849762       7.740819 
1 1 1 -1  6  10 o 87.84983 6.277686 78.92339       11.14093  74.30104       
15.67806  83.63840       15.83442  84.92382 9.226904 90.21635 8.740715 
-5.292526      12.70968 
1 1 1 -1  6  11 o 307.6975 4.229555 962.9322       26.46489  991.3380       
37.88897  935.8708       36.98153  312.1580 5.968799 303.2986 5.996020 
8.859436       8.460426 
1 1 1 -1  6  12 f 403.9983 5.452444 1660.454       44.79424  1610.835       
76.21024  1686.645       55.36805  397.6921 9.423559 407.1137 6.687936 
-9.421631      11.55560 
1 1 1 -1  6  13 o 421.1033 4.849167 1804.079       41.52477  1861.271       
59.92537  1751.250       57.59380  427.5973 6.891668 414.7715 6.828345 
12.82584       9.701617 
1 1 1 -1  6  14 o 227.9887 5.543762 529.0762       25.70215  588.9843       
45.64609  501.2643       31.10111  240.3116 9.340656 221.8500 6.893900 
18.46161       11.60921 
1 1 1 -1  6  15 o 148.8050 5.730442 225.5061       17.34031  231.4954       
24.06462  219.0378       25.00842  150.4541 7.892991 146.2758 8.443308 
4.178345       11.55806 
1 1 1 -1  6  16 o 248.7304 4.724273 629.9460       23.89546  653.2781       
34.47525  608.3729       33.15025  253.1114 6.697987 244.2598 6.673956 
8.851578       9.455407 
1 1 1 -1  6  17 o 255.5056 4.742889 664.9553       24.64307  687.3173       
35.05901  643.1172       34.64579  259.5454 6.642551 251.0422 6.786602 
8.503220       9.496391 
1 1 1 -1  6  18 o 149.7511 8.842052 230.4460       26.80674  258.0772       
37.19508  200.5818       38.66876  157.9119 11.66553 138.5620 13.91132 
19.34987       18.15515 
1 1 1 -1  6  19 o 148.1214 6.403207 224.0729       19.28709  195.8743       
26.85283  254.1221       27.71997  137.7737 9.645402 157.2106 8.704738 
-19.43687      12.99255 
1 1 1 -1  6  20 o 60.96843 14.38155 40.25181       17.54160  42.06997       
24.68554  38.39725       24.93144  62.39910 18.27906 60.07266 18.54696 
2.326435       26.04062 
1 1 1 -1  6  21 o 183.6256 6.325424 344.7470       23.61970  344.9727       
33.74806  344.5303       33.06889  183.1528 9.061160 183.0757 8.882548 
0.7711792E-01  12.68875 
1 1 1 -1  6  22 o 63.32487 14.97208 44.03038       18.97640  64.26866       
27.26583  25.01794       26.42717  75.90369 17.94708 52.09414 19.08429 
23.80954       26.19748 
1 1 1 -1  6  23 o 55.46563 17.70933 33.76989       22.54366  -14.73526      
40.19867  56.02390       27.22839  44.68414 20.30054 69.84889 18.76830 
-25.16475      27.64708 
1 1 1 -1  6  24 o 96.15308 10.28803 98.70760       19.80410  81.42681       
27.26515  118.0067       28.81340  84.16960 16.51932 103.2115 14.09685 
-19.04194      21.71657 
1 1 1 -1  7  1  o 497.1592 5.305311 2514.009       53.63617  2565.661       
66.65853  2419.153       90.33276  502.1945 6.527281 487.5208 9.111728 
14.67380       11.20843 
1 1 1 -1  7  2  o 173.5499 2.782463 306.2772       9.819858  299.0544       
13.82263  313.6370       13.95304  171.4822 3.963876 175.6139 3.907136 
-4.131714      5.565791 
1 1 1 -1  7  3  o 221.2140 3.043035 497.6302       13.68898  551.2287       
20.19500  452.0701       18.61916  232.8071 4.265758 210.8294 4.342876 
21.97772       6.087468 
1 1 1 -1  7  4  o 581.5218 5.269176 3440.159       62.31033  3476.468       
88.91444  3405.119       87.34669  584.4288 7.481511 578.4049 7.426139 
6.023865       10.54137 
1 1 1 -1  7  5  o 199.7219 3.212888 405.6858       13.04887  391.0756       
18.29368  420.8192       18.61837  196.0652 4.588272 203.3866 4.501612 
-7.321411      6.427811 
1 1 1 -1  7  6  o 262.7303 4.927906 702.4270       26.32838  730.4249       
38.09093  676.8142       36.43232  267.8030 6.994469 257.7905 6.949738 
10.01248       9.860094 
1 1 1 -1  7  7  o 446.2702 4.510586 2026.391       40.93382  1993.871       
57.24894  2060.408       58.55135  442.5207 6.361836 449.8398 6.400702 
-7.319153      9.024519 
1 1 1 -1  7  8  o 514.9063 4.984368 2697.590       52.19029  2737.628       
74.65027  2659.308       72.99403  518.5325 7.079523 511.0670 7.023572 
7.465485       9.972472 
1 1 1 -1  7  9  o 189.1437 3.830863 363.8661       14.73466  393.5309       
21.33533  336.8148       20.37381  196.6738 5.334594 181.9466 5.506514 
14.72717       7.666785 
1 1 1 -1  7  10 o 88.80042 6.212132 80.62228       11.14712  92.15999       
16.07884  69.94493       15.46773  94.77433 8.430856 82.34528 9.405876 
12.42905       12.63130 
1 1 1 -1  7  11 o 412.5355 4.608995 1730.997       38.66509  1750.863       
55.02008  1711.614       54.34753  414.8231 6.522391 410.1475 6.516109 
4.675659       9.219613 
1 1 1 -1  7  12 o 206.3504 5.409455 433.1940       22.69918  465.8565       
40.40543  418.1320       27.43823  213.8682 9.290565 202.7012 6.656536 
11.16696       11.42909 
1 1 1 -1  7  13 o 479.6761 5.136156 2341.078       50.09999  2321.019       
70.46638  2361.582       71.24420  477.4532 7.257711 481.6056 7.274557 
-4.152374      10.27587 
1 1 1 -1  7  14 o 278.8875 5.279883 791.6289       29.94365  837.2519       
52.43643  769.5526       36.47583  286.5337 8.999244 274.8975 6.525036 
11.63614       11.11587 
1 1 1 -1  7  15 o 73.15227 10.09441 55.70854       14.61616  70.38457       
21.19630  42.40382       20.18174  81.83509 13.18503 62.96522 15.79021 
18.86987       20.57124 
1 1 1 -1  7  16 o 95.88591 7.815972 94.47578       15.10755  102.0697       
21.51071  87.08377       21.22280  99.23326 10.83585 91.41258 11.68414 
7.820679       15.93533 
1 1 1 -1  7  17 o 147.5369 5.770516 221.9141       17.31278  228.1221       
24.64926  215.8698       24.32195  149.1685 8.156878 145.0766 8.278541 
4.091934       11.62191 
1 1 1 -1  7  18 o 134.9593 9.411229 187.6232       25.66690  264.3977       
37.14407  117.4626       35.50813  159.8648 11.50265 104.7572 17.27028 
55.10765       20.75027 
1 1 1 -1  7  19 o 190.3817 6.244834 370.1189       24.17673  364.8683       
29.58575  380.6727       41.94512  188.8148 7.705400 191.9691 10.78854 
-3.154373      13.25767 
1 1 1 -1  7  20 o 58.73005 14.77407 37.39345       17.62878  17.08192       
24.65078  58.65505       25.22071  47.52261 18.21532 73.21672 17.22684 
-25.69411      25.07114 
1 1 1 -1  7  21 o 262.4762 5.461827 703.4553       29.15274  704.9218       
41.60247  702.0405       40.86385  262.1748 7.803273 261.6737 7.679407 
0.5010376      10.94826 
1 1 1 -1  7  22 o 124.3223 8.245931 159.8100       20.72853  153.8926       
30.28882  165.0230       28.42865  120.6874 12.52387 125.4568 11.26321 
-4.769409      16.84361 
1 1 1 -1  7  23 o 84.08550 14.78008 77.91795       24.35014  113.3230       
42.60536  60.74303       29.67420  97.92379 21.93970 72.35115 19.65740 
25.57264       29.45783 
1 1 1 -1  7  24 o 35.94489 15.03851 5.181375       18.41872  24.90731       
25.99507  -14.70606      26.10127  50.05850 18.81672 34.58654 15.95232 
15.47196       24.66872 
1 1 1 -1  8  1  o 427.3771 4.762954 1857.710       41.39416  1821.852       
49.87358  1937.104       74.21093  423.2009 5.795254 436.2737 8.364835 
-13.07281      10.17622 
1 1 1 -1  8  2  o 460.2676 4.364653 2154.572       40.85183  2197.580       
58.64342  2114.025       56.94064  464.7737 6.204778 455.8550 6.142486 
8.918762       8.730945 
1 1 1 -1  8  3  f 539.9037 4.942322 2965.035       54.26237  3001.092       
77.46836  2930.305       76.02905  543.0651 7.014893 536.6252 6.967180 
6.439941       9.886876 
1 1 1 -1  8  4  o 525.4710 4.878880 2808.910       52.13391  2770.723       
72.93309  2848.809       74.55049  521.7574 6.873920 529.0544 6.929450 
-7.296936      9.760536 
1 1 1 -1  8  5  o 334.6901 3.742276 1139.417       25.47007  1115.382       
35.56467  1164.724       36.49353  331.0749 5.282520 338.3176 5.304445 
-7.242706      7.486131 
1 1 1 -1  8  6  o 253.9601 4.909744 656.3345       25.35571  652.2737       
35.83136  660.4075       35.88550  253.0636 6.962771 254.6386 6.930162 
-1.574966      9.823814 
1 1 1 -1  8  7  o 400.4854 4.240376 1631.761       34.53365  1662.249       
49.42310  1602.676       48.27311  404.0861 6.014570 396.7817 5.982769 
7.304443       8.483430 
1 1 1 -1  8  8  o 400.4451 4.302388 1631.257       35.03516  1651.364       
49.91050  1611.725       49.19171  402.8054 6.093196 397.9425 6.078832 
4.862854       8.606930 
1 1 1 -1  8  9  o 413.1144 6.274911 1736.668       52.71441  1736.668       
52.71441  0.000000       0.000000  413.1144 6.274911 ?        ?        
0.000000       6.274911 
1 1 1 -1  8  10 o 466.2861 4.822237 2211.550       45.72486  2215.682       
64.85697  2207.467       64.47417  466.6292 6.834918 465.7649 6.807186 
0.8643494      9.646444 
1 1 1 -1  8  11 f 433.4818 4.706584 1911.285       41.48854  1947.414       
59.49302  1877.079       57.88725  437.4766 6.687439 429.5067 6.627681 
7.969849       9.415306 
1 1 1 -1  8  12 o 730.6055 7.699278 5433.935       114.3890  5568.594       
203.1501  5371.419       138.4176  738.6689 13.52433 726.1783 9.373392 
12.49066       16.45503 
1 1 1 -1  8  13 o 618.0504 5.945126 3887.630       74.71992  3911.311       
106.2836  3864.489       105.0668  619.6297 8.434949 615.9162 8.388657 
3.713501       11.89613 
1 1 1 -1  8  14 o 207.7426 7.300705 439.6984       30.84195  439.6984       
30.84195  0.000000       0.000000  207.7426 7.300705 ?        ?        
0.000000       7.300705 
1 1 1 -1  8  15 o 138.2931 6.008371 194.8259       16.89697  191.1920       
23.82616  198.5026       23.96631  136.5919 8.622084 139.2023 8.507325 
-2.610413      12.11259 
1 1 1 -1  8  16 o 256.1079 4.665153 667.8963       24.29631  668.8573       
34.39711  666.9395       34.32335  256.1023 6.604760 255.7354 6.600053 
0.3668671      9.337214 
1 1 1 -1  8  17 o 117.7416 6.885308 141.9831       16.41380  169.9230       
22.85810  112.2401       23.58415  128.5717 8.795475 103.9205 11.34437 
24.65120       14.35462 
1 1 1 -1  8  18 o 135.7951 9.457698 190.0018       25.95382  178.3561       
35.74795  202.9828       37.74165  130.6027 13.66229 139.4632 13.47582 
-8.860443      19.18999 
1 1 1 -1  8  19 o 167.3168 6.877274 286.1621       23.39954  289.2759       
29.07477  280.4369       39.42380  167.7694 8.550568 164.3660 11.87484 
3.403442       14.63298 
1 1 1 -1  8  20 o 60.00104 14.34479 39.00869       17.26551  12.37491       
24.47067  65.41059       24.36391  45.04037 17.88826 77.64767 15.96335 
-32.60730      23.97537 
1 1 1 -1  8  21 o 167.8898 6.639151 288.4306       22.66670  269.4473       
32.16941  307.1476       31.94291  161.3681 9.850512 172.5294 9.137138 
-11.16124      13.43577 
1 1 1 -1  8  22 o 157.7221 7.229398 255.4654       23.18708  259.5806       
33.22732  251.5593       32.37236  157.8290 10.41127 155.4008 10.30243 
2.428162       14.64700 
1 1 1 -1  8  23 o 93.73206 12.64434 94.70269       23.48599  126.9389       
44.23535  82.04859       27.71489  103.7848 21.65974 85.47195 16.54346 
18.31281       27.25491 
1 1 1 -1  8  24 o 171.1413 7.651711 304.6922       26.62961  257.8283       
32.61281  398.4488       46.12854  155.6731 10.36122 192.3915 11.84813 
-36.71841      15.73954 
1 1 1 -1  9  1  o 200.5587 3.311908 409.0494       13.50738  419.0351       
16.60157  389.4935       23.23268  202.9841 4.021941 195.6720 5.838741 
7.312057       7.089916 
1 1 1 -1  9  2  o 449.1551 4.291924 2051.831       39.20124  2063.101       
55.69780  2040.769       55.18363  450.3203 6.082261 447.8774 6.058982 
2.442902       8.585171 
1 1 1 -1  9  3  o 207.7806 3.025448 439.0401       12.78339  442.6914       
18.14915  435.4453       18.00855  208.6252 4.277973 206.9107 4.280005 
1.714508       6.051405 
1 1 1 -1  9  4  o 473.0358 4.529111 2276.271       43.56708  2277.785       
61.67556  2274.763       61.55094  473.0759 6.411075 472.7625 6.402362 
0.3134155      9.060470 
1 1 1 -1  9  5  o 336.4446 3.756349 1151.445       25.69987  1107.697       
35.61224  1198.988       37.12514  329.9178 5.308138 343.2430 5.318818 
-13.32523      7.514397 
1 1 1 -1  9  6  o 368.9208 5.660933 1385.466       42.46906  1474.089       
62.50528  1309.469       57.88151  380.3064 8.082238 358.4573 7.940557 
21.84909       11.33027 
1 1 1 -1  9  7  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -1  9  8  o 211.9562 3.696916 456.9466       15.93445  475.6265       
22.93476  439.5155       22.15490  216.2076 5.216410 207.8374 5.241972 
8.370270       7.395216 
1 1 1 -1  9  9  o 422.4712 4.501590 1815.483       38.67359  1799.092       
54.32259  1832.328       55.07052  420.4750 6.353146 424.3397 6.381961 
-3.864655      9.005103 
1 1 1 -1  9  10 o 459.4771 4.789228 2147.420       44.74875  2184.892       
64.06748  2111.726       62.52913  463.3779 6.799092 455.5558 6.749776 
7.822083       9.580561 
1 1 1 -1  9  11 f 298.4367 4.218183 905.8568       25.59936  944.7175       
36.87761  869.7152       35.56403  304.7244 5.951194 292.3771 5.981583 
12.34723       8.437775 
1 1 1 -1  9  12 o 384.7334 5.387784 1505.950       42.15231  1621.267       
75.69642  1454.118       50.74885  398.9450 9.330627 377.9958 6.602187 
20.94925       11.43020 
1 1 1 -1  9  13 o 830.3011 7.393557 7020.485       124.8362  6818.772       
172.1198  7244.364       181.3301  817.6772 10.35136 842.7512 10.58081 
-25.07397      14.80217 
1 1 1 -1  9  14 o 93.61766 8.294460 90.05322       15.62707  125.2815       
22.52295  57.35217       21.70003  110.3143 10.15419 73.46072 15.03273 
36.85358       18.14085 
1 1 1 -1  9  15 o 166.9193 5.349152 283.7360       18.15695  279.3163       
25.15086  288.5466       26.23932  165.4910 7.473555 168.1894 7.671893 
-2.698410      10.71037 
1 1 1 -1  9  16 o 116.5596 6.776629 139.0485       15.99317  136.8648       
22.67717  141.2095       22.55882  115.2306 9.769652 117.0910 9.557531 
-1.860497      13.66721 
1 1 1 -1  9  17 o 86.61217 8.635737 77.50111       15.00723  73.88139       
20.84380  81.39708       21.62458  83.78600 12.62553 88.07094 12.41910 
-4.284935      17.70983 
1 1 1 -1  9  18 o 179.4078 8.131538 329.4048       29.66644  325.4378       
40.79106  333.8591       43.22394  177.4277 11.36532 179.5755 11.90407 
-2.147842      16.45835 
1 1 1 -1  9  19 o 34.40126 14.43997 2.255405       17.06876  11.73235       
21.42794  -14.19757      28.23373  42.78498 16.81920 37.78207 17.10467 
5.002907       23.98865 
1 1 1 -1  9  20 o 125.4429 7.583360 161.7526       19.25364  166.1833       
27.09310  157.2320       27.36648  126.5042 10.63034 122.9183 11.06707 
3.585938       15.34550 
1 1 1 -1  9  21 o 116.5125 8.902706 140.4425       20.93372  156.5761       
29.84909  124.8266       29.36632  122.1867 12.17525 108.5385 13.60383 
13.64824       18.25653 
1 1 1 -1  9  22 o 106.1441 9.379747 117.4058       20.03761  137.5903       
29.56259  100.2520       27.25303  113.7732 13.01164 96.43861 14.33259 
17.33462       19.35784 
1 1 1 -1  9  23 o 84.01340 14.17247 77.59688       23.35125  104.2423       
42.74992  66.26604       27.87756  92.94076 22.79304 75.80350 18.29409 
17.13725       29.22664 
1 1 1 -1  9  24 f 52.32247 17.21954 31.01254       21.22112  12.03967       
25.78004  70.88736       37.37373  43.64618 17.98414 74.67637 22.64319 
-31.03019      28.91615 
1 1 1 -1  10 1  o 893.6366 7.548352 8127.624       137.1717  8045.981       
156.8328  8393.379       282.9572  888.9990 8.675295 906.7563 15.34542 
-17.75732      17.62789 
1 1 1 -1  10 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -1  10 3  f 370.4991 3.836476 1396.158       28.90488  1434.036       
41.59359  1360.779       40.19749  375.4305 5.448104 365.7173 5.405079 
9.713165       7.674420 
1 1 1 -1  10 4  o 308.3447 3.545961 967.0408       22.23422  978.9141       
31.67595  955.5092       31.21693  310.1778 5.021895 306.4478 5.009360 
3.729950       7.093174 
1 1 1 -1  10 5  o 572.1028 5.251025 3331.051       61.08993  3320.728       
86.20330  3341.467       86.58639  570.9454 7.424683 572.7240 7.434518 
-1.778625      10.50704 
1 1 1 -1  10 6  o 201.9810 3.982438 415.0461       16.35728  397.7431       
27.74206  424.2672       20.25216  197.6103 6.903632 204.1826 4.877543 
-6.572311      8.452844 
1 1 1 -1  10 7  o 493.4301 4.835892 2477.356       48.52367  2639.608       
72.20303  2343.720       65.52733  509.1324 6.973860 479.7750 6.716352 
29.35736       9.682155 
1 1 1 -1  10 8  o 235.3800 3.719375 563.5194       17.80290  581.1439       
25.49219  546.7402       24.87343  238.9921 5.245322 231.8091 5.276595 
7.183014       7.440152 
1 1 1 -1  10 9  o 75.97640 6.385618 59.15343       9.774320  63.29415       
13.70837  54.87129       13.94051  78.35525 8.752884 72.76150 9.660442 
5.593750       13.03599 
1 1 1 -1  10 10 o 507.4054 5.066367 2618.905       52.27609  2595.757       
73.31869  2642.841       74.55596  505.0502 7.138857 509.6068 7.194419 
-4.556519      10.13523 
1 1 1 -1  10 11 o 535.5643 5.307517 2917.856       57.80355  2879.050       
80.99355  2958.139       82.52098  531.8583 7.488642 539.1111 7.527221 
-7.252808      10.61785 
1 1 1 -1  10 12 o 513.8660 6.119770 2687.114       63.94938  2586.248       
106.8684  2743.379       79.81680  503.7261 10.43286 519.1032 7.561173 
-15.37711      12.88471 
1 1 1 -1  10 13 o 425.6075 4.897785 1843.114       42.38971  1859.938       
60.45045  1826.838       59.45808  427.3894 6.955436 423.5740 6.902877 
3.815399       9.799377 
1 1 1 -1  10 14 o 123.0578 6.567629 154.6879       16.37557  166.6728       
23.21447  142.8177       23.10304  127.5001 9.011628 117.8863 9.724056 
9.613754       13.25770 
1 1 1 -1  10 15 o 166.1442 5.291356 281.1156       17.87736  258.4850       
24.84257  305.4230       25.74648  159.1762 7.674795 173.0525 7.316250 
-13.87625      10.60330 
1 1 1 -1  10 16 o 244.0890 4.752770 606.7776       23.59101  605.9307       
33.41620  607.6191       33.30951  243.7166 6.742492 244.0596 6.711520 
-0.3429871     9.513448 
1 1 1 -1  10 17 o 68.92777 10.76718 49.92222       14.59846  53.00712       
20.52993  46.76696       20.76272  70.26331 14.83399 65.83308 15.72506 
4.430237       21.61769 
1 1 1 -1  10 18 o 174.5998 7.986443 311.9680       28.35623  312.2740       
39.00871  311.6252       41.29218  173.8276 11.09335 173.4683 11.77541 
0.3592987      16.17785 
1 1 1 -1  10 19 o 96.37405 10.26587 96.65082       19.80935  100.9276       
24.55389  88.67752       33.52599  97.95200 12.62051 89.96133 18.92585 
7.990662       22.74786 
1 1 1 -1  10 20 o 156.9502 6.711453 251.9402       21.42052  287.2833       
30.26173  216.4498       30.32474  166.9875 8.944142 144.5302 10.38707 
22.45734       13.70726 
1 1 1 -1  10 21 o 221.7851 5.819445 502.7371       26.24614  550.6564       
38.80210  462.3209       35.63509  231.5124 8.241941 212.1267 8.260972 
19.38571       11.66933 
1 1 1 -1  10 22 o 112.3747 8.975226 131.3089       20.33887  136.5613       
29.28131  126.4123       28.27224  113.3021 12.94085 108.9308 13.02124 
4.371284       18.35806 
1 1 1 -1  10 23 o 39.32070 16.58229 4.908199       22.68016  -9.962914      
40.13698  11.88397       27.48964  45.45011 20.50153 45.31881 18.61004 
0.1312981      27.68838 
1 1 1 -1  10 24 o 54.15885 17.01463 33.91325       20.87939  49.43972       
25.77484  4.276898       35.61000  64.12405 18.64765 45.82416 20.05853 
18.29989       27.38758 
1 1 1 -1  11 1  o 683.4628 5.323921 4752.173       73.99424  4735.593       
95.23962  4777.421       117.5276  682.1440 6.865784 684.9888 8.437326 
-2.844849      10.87784 
1 1 1 -1  11 2  o 377.9879 3.847813 1453.165       29.57626  1491.733       
42.58321  1417.220       41.10998  382.9090 5.468792 373.2256 5.416571 
9.683472       7.697203 
1 1 1 -1  11 3  f 150.2094 2.977012 229.4633       9.093459  228.3021       
12.84911  230.6285       12.87110  149.8119 4.217698 150.5735 4.203547 
-0.7615967     5.954727 
1 1 1 -1  11 4  o 182.0019 4.419982 337.0086       16.35866  337.0086       
16.35866  0.000000       0.000000  182.0019 4.419982 ?        ?        
0.000000       4.419982 
1 1 1 -1  11 5  o 285.4631 3.531233 828.9357       20.49877  815.4122       
28.78074  842.8591       29.20315  283.0597 5.000029 287.7847 4.990115 
-4.725006      7.064102 
1 1 1 -1  11 6  o 388.2600 4.778878 1534.006       37.73115  1506.332       
64.54715  1548.371       46.50378  384.4255 8.256832 389.9919 5.863829 
-5.566376      10.12718 
1 1 1 -1  11 7  o 202.9997 5.114681 419.3278       21.11375  373.2128       
28.60463  474.5257       31.29514  191.4324 7.348006 215.8676 7.129153 
-24.43527      10.23807 
1 1 1 -1  11 8  o 273.8629 3.798098 762.8445       21.15197  752.6594       
29.65499  773.3926       30.17869  271.9824 5.361737 275.7023 5.382805 
-3.719910      7.597553 
1 1 1 -1  11 9  o 297.1230 3.979120 897.8914       24.04223  917.8676       
34.21333  878.4037       33.79228  300.3660 5.601355 293.8362 5.655366 
6.529785       7.959795 
1 1 1 -1  11 10 o 739.5107 6.618083 5564.614       99.52407  5791.137       
145.6522  5366.223       136.3085  754.1140 9.497924 725.9518 9.233447 
28.16217       13.24640 
1 1 1 -1  11 11 o 323.8632 4.319536 1066.832       28.44790  1044.753       
39.83034  1089.823       40.64482  320.4384 6.112489 327.2774 6.107139 
-6.839050      8.640582 
1 1 1 -1  11 12 o 528.0153 7.584093 2838.613       81.43322  2875.020       
115.8486  2803.053       114.4913  531.0290 10.72806 524.3394 10.73764 
6.689636       15.17854 
1 1 1 -1  11 13 o 467.2259 5.069847 2221.418       48.16961  2230.437       
68.24675  2212.465       67.99816  467.9819 7.171359 466.0924 7.174203 
1.889465       10.14384 
1 1 1 -1  11 14 o 324.8317 4.637454 1073.876       30.63300  1051.421       
43.34187  1096.289       43.30137  321.2568 6.634434 328.0535 6.490909 
-6.796753      9.281574 
1 1 1 -1  11 15 o 315.7686 6.526481 1016.399       41.90823  1016.399       
41.90823  0.000000       0.000000  315.7686 6.526481 ?        ?        
0.000000       6.526481 
1 1 1 -1  11 16 o 453.3522 5.096688 2093.835       46.98673  2049.694       
65.67025  2140.134       67.25669  448.1108 7.206623 457.8861 7.223149 
-9.775299      10.20340 
1 1 1 -1  11 17 o 113.5498 7.021748 132.1721       16.13416  144.4023       
22.93925  120.1989       22.69699  118.3030 9.618533 107.7028 10.49651 
10.60022       14.23703 
1 1 1 -1  11 18 o 256.2173 7.445838 671.3504       38.79479  624.6271       
51.17112  734.5059       59.49266  246.5165 10.20769 267.1033 10.95299 
-20.58676      14.97214 
1 1 1 -1  11 19 o 270.7436 5.842571 748.3967       32.16722  710.8682       
39.27024  824.9246       56.07803  263.5570 7.327190 283.2135 9.737049 
-19.65649      12.18597 
1 1 1 -1  11 20 o 188.9862 6.050732 364.9269       23.25356  333.9048       
32.26730  398.4458       33.54065  180.2850 8.801400 197.0360 8.370942 
-16.75107      12.14649 
1 1 1 -1  11 21 o 198.5269 6.102896 403.1120       24.63808  427.7287       
35.85154  381.0815       33.91597  203.8948 8.646697 192.4506 8.666296 
11.44415       12.24214 
1 1 1 -1  11 22 o 201.4249 6.192662 415.9095       25.36541  394.9575       
35.81530  436.9950       35.92919  195.3978 9.013580 205.6952 8.589579 
-10.29735      12.45092 
1 1 1 -1  11 23 o 98.19595 21.43694 115.1847       41.60548  115.1847       
41.60548  0.000000       0.000000  98.19595 21.43694 ?        ?        
0.000000       21.43694 
1 1 1 -1  11 24 o 158.0518 8.005476 261.6768       25.64595  215.4384       
30.44993  374.5287       47.57066  141.7752 10.63931 185.1862 12.70912 
-43.41103      16.57457 
1 1 1 -1  12 1  o 251.6668 3.114996 644.1286       15.94171  641.8470       
22.48895  646.4330       22.60143  251.1920 4.402629 252.0876 4.408927 
-0.8956299     6.230713 
1 1 1 -1  12 2  o 207.2439 2.985261 436.8015       12.58101  454.6891       
18.05864  419.9317       17.53728  211.4212 4.200346 203.1788 4.244559 
8.242371       5.971531 
1 1 1 -1  12 3  o 265.2308 3.290645 715.4996       17.74829  686.9548       
24.60367  746.4690       25.62735  259.8444 4.656238 270.8665 4.652612 
-11.02216      6.582351 
1 1 1 -1  12 4  o 140.4402 3.180285 200.6126       9.082573  242.4971       
13.39105  164.9286       12.36019  154.3846 4.265392 127.3104 4.774303 
27.07426       6.402151 
1 1 1 -1  12 5  o 157.1708 3.326018 251.2745       10.63036  246.7059       
14.99588  255.8893       15.07161  155.7017 4.736166 158.5750 4.673837 
-2.873215      6.654023 
1 1 1 -1  12 6  o 390.3128 5.872778 1550.835       46.61308  0.000000       
0.000000  1550.835       46.61308  ?        ?        390.3128 5.872778 
0.000000       5.872778 
1 1 1 -1  12 7  o 265.5706 5.209824 717.6595       28.13549  692.7793       
39.12292  744.3109       40.49155  260.8250 7.376165 270.3522 7.365175 
-9.527222      10.42371 
1 1 1 -1  12 8  o 512.8792 4.993142 2676.077       52.07633  2731.287       
74.76924  2624.063       72.57392  517.9923 7.098200 507.7285 7.029066 
10.26376       9.989605 
1 1 1 -1  12 9  o 512.4207 5.064063 2671.038       52.76880  2634.639       
73.64747  2709.438       75.64534  508.8000 7.118021 515.9659 7.209577 
-7.165833      10.13135 
1 1 1 -1  12 10 o 298.3355 4.106693 905.2299       24.91430  922.7625       
35.50948  888.2308       34.96510  301.1669 5.798099 295.4774 5.819145 
5.689545       8.214645 
1 1 1 -1  12 11 o 139.5401 5.189579 198.0842       14.72593  215.7754       
21.12268  181.3545       20.54072  145.6038 7.133867 133.2600 7.611489 
12.34373       10.43201 
1 1 1 -1  12 12 o 329.7919 6.447164 1107.021       43.23746  1131.206       
61.15784  1082.852       61.13617  333.2078 9.025796 325.9939 9.222260 
7.213959       12.90407 
1 1 1 -1  12 13 f 138.5802 6.014601 195.5052       16.94960  198.0018       
24.14873  193.0810       23.79589  139.1112 8.578363 137.3674 8.561152 
1.743851       12.11947 
1 1 1 -1  12 14 o 122.7267 6.691050 153.9224       16.63575  161.6725       
23.77451  146.4874       23.28609  125.4898 9.384406 119.3785 9.675447 
6.111298       13.47892 
1 1 1 -1  12 15 o 166.6986 5.369160 283.0554       18.20077  286.1075       
26.04551  280.1426       25.44456  167.4390 7.649354 165.6921 7.551645 
1.746902       10.74895 
1 1 1 -1  12 16 o 75.84125 9.961833 59.92604       14.99206  59.25053       
20.71760  60.66863       21.72199  74.56441 14.18158 75.36742 14.70104 
-0.8030090     20.42640 
1 1 1 -1  12 17 o 122.6508 6.887482 154.1031       17.10885  143.5531       
23.39546  166.2309       25.08383  117.8944 9.848782 126.9339 9.793435 
-9.039536      13.88920 
1 1 1 -1  12 18 o 63.36352 15.01096 43.43917       19.04478  40.75125       
22.97667  49.33977       34.04295  61.48430 17.52470 68.24756 21.75926 
-6.763256      27.93887 
1 1 1 -1  12 19 o 294.3097 5.792829 884.3898       34.66943  874.9310       
42.74177  902.5838       59.27858  292.4030 7.188184 296.1597 9.842840 
-3.756653      12.18817 
1 1 1 -1  12 20 o 98.05424 9.738918 99.96578       19.16216  99.75755       
26.88988  100.1806       27.31388  96.82043 14.06923 96.96613 14.27951 
-0.1456985     20.04614 
1 1 1 -1  12 21 o 123.7455 8.157652 158.0694       20.41282  178.9237       
28.94837  137.4448       28.78846  130.9253 10.97423 114.1355 12.61441 
16.78980       16.71996 
1 1 1 -1  12 22 o 65.98956 14.42224 47.96464       18.81306  22.35142       
26.03432  75.95658       27.21640  50.13570 18.83382 82.58196 16.77894 
-32.44627      25.22391 
1 1 1 -1  12 23 o 38.56343 17.13707 -4.599648      26.93009  -3.207051      
39.38537  -5.822384      36.90529  46.51699 20.69553 44.45674 19.88733 
2.060249       28.70211 
1 1 1 -1  12 24 o 87.41570 12.39559 84.33824       21.41753  81.25866       
26.10781  90.67557       37.45226  83.74850 15.91175 84.36641 21.70524 
-0.6179123     26.91285 
1 1 1 -1  13 1  o 914.0239 7.713830 8508.796       143.3768  8578.178       
204.2974  8441.457       201.2675  916.9581 10.95625 909.6426 10.88056 
7.315491       15.44105 
1 1 1 -1  13 2  o 443.5594 4.285177 2001.558       38.65200  1976.788       
44.12786  2083.197       80.11177  440.7668 4.923258 452.1184 8.713501 
-11.35168      10.00817 
1 1 1 -1  13 3  o 295.1513 3.451742 886.1108       20.71737  926.0947       
30.05570  849.9157       28.59631  301.6745 4.899331 289.0023 4.865834 
12.67221       6.905055 
1 1 1 -1  13 4  o 169.2173 3.155170 291.2563       10.85723  309.5069       
15.68546  274.4691       15.04353  174.4066 4.422653 164.2360 4.504327 
10.17058       6.312593 
1 1 1 -1  13 5  o 341.0385 4.407673 1183.452       30.56780  1191.508       
37.67282  1167.926       52.29838  342.1327 5.414797 338.5466 7.596583 
3.586029       9.328886 
1 1 1 -1  13 6  o 263.8949 3.593171 708.3823       19.28237  766.7262       
28.30473  657.8574       26.33993  274.4897 5.070858 254.2553 5.094401 
20.23438       7.187943 
1 1 1 -1  13 7  o 405.4429 6.085131 1673.065       50.17080  1664.784       
70.79411  1681.420       71.11141  404.2369 8.612113 406.2520 8.607802 
-2.015106      12.17632 
1 1 1 -1  13 8  o 213.4749 3.782708 463.5004       16.42106  459.6767       
23.07100  467.4265       23.37780  212.5599 5.337448 214.3436 5.363421 
-1.783661      7.566679 
1 1 1 -1  13 9  o 397.7514 4.401082 1609.155       35.59776  1672.322       
51.49833  1551.355       49.26178  405.4108 6.246639 390.4748 6.203913 
14.93597       8.803922 
1 1 1 -1  13 10 o 465.3248 4.832907 2202.498       45.73157  2246.211       
65.55556  2161.058       63.82746  469.8201 6.861618 460.8316 6.811048 
8.988556       9.668100 
1 1 1 -1  13 11 o 557.0818 5.451049 3157.399       61.75192  3125.869       
86.62832  3189.973       88.04985  554.1229 7.687806 559.7717 7.735106 
-5.648804      10.90570 
1 1 1 -1  13 12 o 572.7800 7.974682 3341.480       92.88651  3432.754       
133.6002  3256.078       129.2314  580.0469 11.32642 564.9361 11.24909 
15.11078       15.96339 
1 1 1 -1  13 13 o 108.4898 7.181033 120.4230       15.75303  123.8783       
22.25122  116.9510       22.30519  109.7165 10.08603 106.5325 10.42988 
3.184029       14.50898 
1 1 1 -1  13 14 f 129.3919 6.567577 171.0376       17.22413  178.2529       
24.93507  164.4530       23.82035  131.7861 9.365397 126.5610 9.321032 
5.225121       13.21334 
1 1 1 -1  13 15 o 138.3138 6.084473 194.9917       17.11355  181.9239       
24.08391  208.3194       24.32227  133.1139 8.949177 142.5569 8.427497 
-9.442978      12.29270 
1 1 1 -1  13 16 o 362.8799 4.784712 1341.405       35.30775  1291.056       
48.93480  1396.080       50.99426  355.6724 6.765754 369.8531 6.780171 
-14.18073      9.578421 
1 1 1 -1  13 17 o 38.82793 14.09684 12.95961       14.37269  3.668901       
20.17538  22.53314       20.48017  37.88394 15.78504 48.72947 16.91232 
-10.84552      23.13426 
1 1 1 -1  13 18 o 87.76119 11.43307 80.73151       19.91957  54.40797       
23.22532  153.9642       38.73845  70.72978 16.45709 120.3002 16.25117 
-49.57043      23.12869 
1 1 1 -1  13 19 o 176.1318 6.904943 317.3568       24.73143  309.1394       
30.68515  332.5904       41.77951  173.3071 8.734921 178.9836 11.54036 
-5.676483      14.47338 
1 1 1 -1  13 20 o 69.00768 13.41710 51.23843       18.15010  37.27150       
26.49692  63.58496       24.91252  59.49677 19.22084 76.25104 16.54215 
-16.75427      25.35909 
1 1 1 -1  13 21 o 171.0479 6.611596 299.7243       22.99722  284.1582       
32.26352  315.8015       32.78881  165.5892 9.622883 174.7130 9.261955 
-9.123795      13.35604 
1 1 1 -1  13 22 o 214.6167 6.203052 472.5731       27.07200  439.1141       
38.39724  505.6457       38.17492  205.7840 9.175653 221.1339 8.489288 
-15.34990      12.50043 
1 1 1 -1  13 23 o 119.0338 13.04576 153.9751       31.06115  162.0247       
44.11368  146.0602       43.74286  118.1497 19.00505 111.3006 20.06485 
6.849152       27.63675 
1 1 1 -1  14 1  o 297.2554 3.376409 898.7692       20.40968  932.0258       
29.49367  868.2098       28.27234  302.6458 4.792285 292.1026 4.759649 
10.54324       6.754277 
1 1 1 -1  14 2  o 98.89917 3.113385 99.48443       6.261479  102.4470       
7.169800  89.96385       12.85304  100.3562 3.513268 93.74349 6.788340 
6.612747       7.643599 
1 1 1 -1  14 3  o 272.7284 4.747760 756.9268       26.33119  0.000000       
0.000000  756.9268       26.33119  ?        ?        272.7284 4.747760 
0.000000       4.747760 
1 1 1 -1  14 4  o 319.4113 3.651332 1037.888       23.71663  1062.408       
34.08119  1014.864       33.02452  323.0759 5.187508 315.7670 5.143023 
7.308960       7.304856 
1 1 1 -1  14 5  o 126.3509 4.207853 162.4274       10.81161  150.4615       
13.17197  187.1351       18.92755  121.5840 5.327493 135.3716 6.898549 
-13.78762      8.716201 
1 1 1 -1  14 6  o 479.0826 4.692670 2335.291       45.71743  2349.267       
64.99232  2321.601       64.32132  480.3472 6.653580 477.5133 6.623965 
2.833862       9.388665 
1 1 1 -1  14 7  o 643.4435 8.268624 4216.943       108.1920  4120.663       
150.2063  4320.754       155.9696  635.5169 11.62277 650.7321 11.78654 
-15.21515      16.55328 
1 1 1 -1  14 8  o 694.5781 6.238979 4909.224       88.12234  4880.173       
123.8957  4938.967       125.3649  692.2444 8.801272 696.3954 8.852555 
-4.151001      12.48319 
1 1 1 -1  14 9  o 352.2627 4.203004 1262.099       30.10773  1302.039       
43.31055  1224.748       41.88284  357.7357 5.953606 346.9560 5.936224 
10.77966       8.407388 
1 1 1 -1  14 10 f 480.8784 4.930257 2352.277       48.21212  2286.950       
66.92971  2422.734       69.50784  474.0485 6.942961 487.9146 7.005491 
-13.86606      9.863144 
1 1 1 -1  14 11 o 130.8668 5.554401 174.2532       14.78149  152.2819       
20.33250  198.8819       21.52698  122.0105 8.243219 139.5600 7.614031 
-17.54951      11.22159 
1 1 1 -1  14 12 o 419.0320 6.866057 1787.759       58.50676  1787.954       
81.71003  1787.553       83.81213  418.7828 9.594781 418.7066 9.843411 
0.7620239E-01  13.74600 
1 1 1 -1  14 13 o 188.2780 5.071018 360.7971       19.41540  372.7717       
27.11531  348.1984       27.81301  191.2904 6.970599 184.8554 7.398853 
6.434952       10.16525 
1 1 1 -1  14 14 o 112.5296 7.010343 129.5910       15.96228  122.3925       
22.37169  137.0559       22.78205  108.9369 10.21827 115.3924 9.801526 
-6.455528      14.15920 
1 1 1 -1  14 15 o 148.3088 5.852593 224.1789       17.65089  229.2761       
25.13476  219.2194       24.79301  149.5783 8.295841 146.2407 8.371776 
3.337601       11.78591 
1 1 1 -1  14 16 o 256.6528 4.729708 671.0318       24.68493  671.2513       
35.04058  670.8156       34.78039  256.4457 6.719306 256.3695 6.671396 
0.7623291E-01  9.468717 
1 1 1 -1  14 17 o 165.9378 5.587512 280.8413       18.85451  314.8688       
27.12931  249.0508       26.22241  175.4717 7.602917 155.7547 8.309058 
19.71696       11.26254 
1 1 1 -1  14 18 o 183.6240 6.639537 344.5913       24.79241  326.8925       
29.39540  388.2068       46.14528  178.6249 8.092560 193.4987 11.78343 
-14.87383      14.29471 
1 1 1 -1  14 19 o 122.1549 8.815964 154.0513       21.75225  137.0838       
27.12786  184.6053       36.40320  114.4836 11.82279 132.4504 13.71428 
-17.96677      18.10690 
1 1 1 -1  14 20 o 110.2220 8.984293 125.7843       19.96221  164.3026       
28.73987  89.87910       27.74790  125.4460 11.39034 91.29047 15.50137 
34.15553       19.23622 
1 1 1 -1  14 21 o 132.2813 7.887630 180.5393       21.12114  165.1134       
29.24751  197.3517       30.53359  125.4176 11.59913 137.4026 11.02051 
-11.98496      15.99973 
1 1 1 -1  14 22 o 48.03020 17.70573 21.46549       22.79773  9.252213       
26.53054  55.93884       44.57297  44.01853 18.20094 70.53108 24.91714 
-26.51255      30.85674 
1 1 1 -1  14 23 o 35.08003 15.49082 -2.891674      21.66849  -18.19517      
26.21608  30.10509       38.49533  33.82373 15.73387 56.60650 22.45062 
-22.78277      27.41505 
1 1 1 -1  15 1  o 339.5806 3.628132 1173.072       25.05402  1210.201       
36.15196  1138.762       34.75290  344.8247 5.155633 334.4953 5.109161 
10.32947       7.258380 
1 1 1 -1  15 2  f 161.5608 2.967603 265.4872       9.749745  267.5856       
11.18585  258.8530       19.88960  162.1895 3.391526 159.4393 6.134499 
2.750122       7.009602 
1 1 1 -1  15 3  o 478.6465 4.568889 2331.398       44.47100  2360.488       
63.47084  2303.346       62.32772  481.4184 6.483360 475.5604 6.445018 
5.858032       9.141785 
1 1 1 -1  15 4  o 326.8560 3.704757 1086.847       24.62451  1114.300       
35.40581  1061.126       34.27056  330.8676 5.262218 322.8794 5.219506 
7.988220       7.411760 
1 1 1 -1  15 5  o 274.9494 4.109502 769.0938       22.97701  848.4951       
29.58884  648.4820       36.46773  288.7516 5.039089 252.3256 7.107157 
36.42599       8.712296 
1 1 1 -1  15 6  o 380.3038 4.118647 1471.289       31.85199  1573.359       
47.12856  1385.462       43.21633  393.1721 5.894541 368.9573 5.759972 
24.21481       8.241534 
1 1 1 -1  15 7  o 123.9897 5.973724 156.4476       15.06198  96.97820       
20.11066  232.4234       22.73093  96.98857 10.35672 151.0917 7.398183 
-54.10316      12.72772 
1 1 1 -1  15 8  o 400.5117 4.366347 1631.611       35.56190  1675.138       
51.15644  1590.906       49.47018  405.7408 6.200122 395.4104 6.152391 
10.33044       8.734612 
1 1 1 -1  15 9  o 391.6907 4.390096 1560.491       34.96784  1596.624       
50.21157  1526.465       48.72587  396.1285 6.233275 387.3295 6.186252 
8.799011       8.781995 
1 1 1 -1  15 10 o 398.4710 4.517906 1615.061       36.60878  1639.417       
52.25121  1591.577       51.30699  401.3834 6.401555 395.4847 6.379629 
5.898743       9.037675 
1 1 1 -1  15 11 o 690.0873 6.338094 4846.745       88.94348  4935.471       
127.7642  4763.312       123.8951  696.0286 9.026737 683.7986 8.909936 
12.22998       12.68341 
1 1 1 -1  15 12 o 205.0838 6.876959 428.2805       28.68001  411.8405       
38.79153  448.1015       42.59394  200.9745 9.491713 209.6033 9.993054 
-8.628891      13.78237 
1 1 1 -1  15 13 o 77.13701 10.87596 61.98785       16.58661  56.55619       
20.64556  71.87601       27.85598  73.00829 14.41760 82.05570 17.24184 
-9.047409      22.47551 
1 1 1 -1  15 14 o 279.0270 4.660071 792.6120       26.44175  788.3802       
37.21769  796.9250       37.57342  278.1073 6.580905 279.6074 6.608161 
-1.500153      9.326098 
1 1 1 -1  15 15 o 31.52911 13.13482 2.247848       13.96586  7.619022       
19.85004  -3.017139      19.65284  39.70100 15.99383 34.51649 15.00922 
5.184509       21.93351 
1 1 1 -1  15 16 o 224.3321 4.881998 512.7772       22.27103  477.3708       
30.96750  550.7081       32.05251  216.2002 7.043665 232.2510 6.786611 
-16.05084      9.781171 
1 1 1 -1  15 17 o 305.4219 4.801514 950.7376       29.82152  896.2504       
41.16341  1010.925       43.26287  296.1780 6.834506 314.5714 6.763083 
-18.39343      9.615080 
1 1 1 -1  15 18 o 222.6045 6.135334 506.1356       27.77305  502.5668       
33.69916  513.6919       49.03638  221.5738 7.479099 223.1972 10.80384 
-1.623474      13.14001 
1 1 1 -1  15 19 o 231.5276 7.897708 549.6880       37.18394  549.6880       
37.18394  0.000000       0.000000  231.5276 7.897708 ?        ?        
0.000000       7.897708 
1 1 1 -1  15 20 o 75.43657 15.35368 61.91741       22.75200  37.07302       
26.28727  136.0999       45.42366  59.22089 19.14600 110.5348 20.97571 
-51.31387      28.39982 
1 1 1 -1  15 21 o 39.52461 15.75796 9.497644       19.05651  8.137498       
26.80383  10.88787       27.09853  44.14826 18.27774 45.50953 18.55819 
-1.361267      26.04769 
1 1 1 -1  15 22 o 172.1467 6.673059 304.8649       23.36012  308.9959       
33.29949  300.8621       32.77907  172.0136 9.557369 169.7386 9.535141 
2.274994       13.50045 
1 1 1 -1  15 23 o 58.99751 17.15615 40.55583       21.81700  28.88323       
26.48104  65.21995       38.49322  52.30297 19.11238 72.00261 23.15701 
-19.69963      30.02549 
1 1 1 -1  16 1  o 214.6961 3.040741 468.8510       13.27563  458.8576       
18.63819  479.1424       18.91400  212.3548 4.316088 216.9989 4.286218 
-4.644180      6.082786 
1 1 1 -1  16 2  o 126.6414 3.564069 163.1548       9.178532  163.8701       
11.09866  161.6070       16.32581  126.9036 4.300760 125.8038 6.402751 
1.099777       7.713090 
1 1 1 -1  16 3  o 305.7405 4.094290 951.0897       25.45559  951.0897       
25.45559  0.000000       0.000000  305.7405 4.094290 ?        ?        
0.000000       4.094290 
1 1 1 -1  16 4  o 425.6456 4.281923 1843.368       37.06282  1848.694       
52.55950  1838.099       52.27117  426.1149 6.065590 424.8936 6.049655 
1.221283       8.566780 
1 1 1 -1  16 5  o 383.6755 4.719256 1497.835       36.82045  1518.511       
45.59017  1459.051       62.44183  386.2428 5.804429 378.4076 8.114550 
7.835205       9.976838 
1 1 1 -1  16 6  o 815.0032 7.063511 6762.897       117.0662  6964.443       
170.0937  6581.509       161.3641  826.4651 10.12074 803.4763 9.876032 
22.98883       14.14091 
1 1 1 -1  16 7  o 494.1670 6.861560 2485.623       68.95219  2380.247       
94.29428  2606.724       101.0858  483.3311 9.593766 505.7766 9.828340 
-22.44550      13.73450 
1 1 1 -1  16 8  o 945.4036 8.088062 9099.307       155.4938  9001.120       
217.7014  9201.565       222.1696  939.7015 11.39252 950.0845 11.49929 
-10.38300      16.18713 
1 1 1 -1  16 9  o 137.7113 4.724026 192.9047       13.22919  207.9874       
18.66209  177.6697       18.75607  142.9683 6.419026 131.9419 7.015704 
11.02643       9.509152 
1 1 1 -1  16 10 o 177.5973 4.558530 320.8361       16.46313  336.7581       
23.09477  304.3860       23.47464  181.9160 6.242972 172.9413 6.674962 
8.974670       9.139464 
1 1 1 -1  16 11 o 155.4625 5.266777 245.9165       16.65030  255.3371       
23.50253  236.4242       23.59189  158.3595 7.298256 152.3724 7.613861 
5.987045       10.54682 
1 1 1 -1  16 12 o 386.0065 6.709206 1517.326       52.66440  1500.836       
72.85647  1535.371       76.21437  383.6268 9.339159 387.9750 9.660102 
-4.348236      13.43642 
1 1 1 -1  16 13 o 294.7451 5.260646 884.4564       31.53095  872.8354       
38.64623  907.5944       54.53185  292.7033 6.492741 298.2052 8.992565 
-5.501923      11.09152 
1 1 1 -1  16 14 o 203.9596 4.958449 423.6189       20.56561  398.1480       
28.40405  451.6843       29.81559  197.5767 7.069571 210.4507 6.966932 
-12.87399      9.925571 
1 1 1 -1  16 15 o 330.3841 4.749035 1111.802       31.90626  1146.358       
46.33519  1080.642       43.99986  335.1685 6.798237 325.4455 6.648468 
9.722992       9.508847 
1 1 1 -1  16 16 o 212.5234 5.862141 460.7127       25.33462  457.4903       
30.42217  468.0039       45.76163  211.6248 7.069233 213.4349 10.54350 
-1.810120      12.69407 
1 1 1 -1  16 17 o 99.58572 9.548042 102.7392       19.09879  105.7567       
22.86166  95.76789       34.74837  100.6701 11.36654 93.72263 18.88479 
6.947495       22.04163 
1 1 1 -1  16 18 o 101.4895 10.16947 107.1131       20.70559  109.7227       
25.08453  101.5335       36.67948  102.2119 12.31655 96.11938 19.43360 
6.092476       23.00788 
1 1 1 -1  16 19 o 88.09805 12.18330 81.98801       21.24226  68.77686       
26.75860  104.5015       34.93126  79.21713 17.11108 97.71932 18.24966 
-18.50219      25.01678 
1 1 1 -1  16 20 o 84.44222 11.38890 75.23763       19.05771  59.36963       
27.38099  90.14803       26.54193  73.08947 18.42696 91.55312 14.75807 
-18.46365      23.60834 
1 1 1 -1  16 21 o 87.60766 11.24094 81.22906       19.56415  75.17303       
29.10174  86.22303       26.42702  81.94273 17.96016 88.97192 15.14928 
-7.029190      23.49612 
1 1 1 -1  16 22 o 94.43241 10.67893 94.65344       20.14653  114.6639       
28.54878  74.80276       28.43456  102.5821 14.05523 80.90985 17.76830 
21.67223       22.65528 
1 1 1 -1  16 23 o 39.44464 16.23232 8.972647       20.96926  -8.623399      
26.16672  40.55453       35.05587  36.29327 16.44541 59.59930 21.95798 
-23.30602      27.43363 
1 1 1 -1  17 1  o 211.4194 3.046764 454.6512       13.09890  456.4901       
18.56762  452.8293       18.48197  211.8056 4.310894 210.9547 4.308318 
0.8509064      6.094703 
1 1 1 -1  17 2  o 296.1502 3.454166 892.1888       20.80208  897.5862       
23.98885  875.8260       41.76820  297.0215 3.971642 293.2003 7.005352 
3.821167       8.052881 
1 1 1 -1  17 3  o 157.7563 3.696668 253.1751       11.85901  261.2596       
14.58712  237.4162       20.36602  160.2358 4.476707 152.6823 6.559431 
7.553528       7.941476 
1 1 1 -1  17 4  o 90.28110 4.126167 82.92210       7.575216  72.17650       
10.65790  93.89271       10.76891  83.96140 6.287901 95.88509 5.546616 
-11.92370      8.384667 
1 1 1 -1  17 5  o 265.0279 5.043339 714.7227       27.18074  859.8497       
42.17259  611.6014       35.54924  290.5811 7.136930 245.0703 7.133262 
45.51082       10.09055 
1 1 1 -1  17 6  o 358.2246 5.698190 1305.863       41.50915  1305.863       
41.50915  0.000000       0.000000  358.2246 5.698190 ?        ?        
0.000000       5.698190 
1 1 1 -1  17 7  o 103.6357 6.791387 109.7812       14.23347  79.60258       
19.72121  142.5928       20.56353  87.63698 11.33148 118.0145 8.628433 
-30.37753      14.24262 
1 1 1 -1  17 8  o 264.8722 3.895003 713.5448       20.97952  772.5742       
30.54633  660.8380       28.86413  275.5720 5.450954 254.8631 5.569294 
20.70889       7.792942 
1 1 1 -1  17 9  o 115.4863 5.289976 135.6813       12.42326  107.0020       
17.02366  168.3553       18.17065  102.1842 8.263251 128.4265 6.983936 
-26.24230      10.81927 
1 1 1 -1  17 10 o 306.8711 4.276406 957.8859       26.68617  966.3701       
37.44374  949.1278       38.04330  308.1661 5.975068 305.3982 6.125764 
2.767914       8.557244 
1 1 1 -1  17 11 o 115.8994 6.470261 137.1676       15.18859  159.6429       
21.54456  114.9600       21.41585  124.8844 8.534678 105.7015 10.08566 
19.18285       13.21216 
1 1 1 -1  17 12 o 238.1303 5.513866 577.2285       26.70067  581.7446       
32.33477  567.5484       47.33948  238.9977 6.653109 235.8279 9.871358 
3.169800       11.90410 
1 1 1 -1  17 13 f 119.8312 9.389599 147.5484       22.69758  147.5484       
22.69758  0.000000       0.000000  119.8312 9.389599 ?        ?        
0.000000       9.389599 
1 1 1 -1  17 14 o 95.33948 9.514535 93.88824       18.20004  93.75144       
21.45877  94.23884       34.35442  94.95880 11.33679 93.61537 18.70051 
1.343430       21.86851 
1 1 1 -1  17 15 o 185.7753 5.269990 351.7238       19.90899  364.8686       
28.10020  338.4748       28.21127  189.0133 7.310813 182.0135 7.621976 
6.999802       10.56137 
1 1 1 -1  17 16 o 247.4282 4.834617 623.9016       24.32555  663.9672       
35.25197  587.4818       33.60980  254.9638 6.799131 239.8145 6.891900 
15.14929       9.681243 
1 1 1 -1  17 17 o 211.6037 5.201322 456.6725       22.38146  439.7214       
31.33301  474.3324       31.98128  207.3077 7.432505 215.3351 7.303477 
-8.027374      10.42031 
1 1 1 -1  17 18 o 187.6850 6.870820 360.3952       26.22344  347.7180       
31.12316  391.4209       48.68932  184.0901 8.313845 193.8698 12.41538 
-9.779694      14.94195 
1 1 1 -1  17 19 o 202.3766 8.008048 420.3428       32.95630  372.6818       
47.28824  465.3539       45.95485  188.9657 12.37439 211.9081 10.69889 
-22.94232      16.35823 
1 1 1 -1  17 20 o 65.24589 14.68796 46.49878       19.01812  29.95352       
27.07071  62.62295       26.72402  55.16464 19.42589 75.11543 17.77267 
-19.95078      26.32932 
1 1 1 -1  17 21 o 259.3272 5.678599 688.5377       29.94613  646.3997       
43.14154  727.7200       41.60092  250.2065 8.479019 265.8370 7.695487 
-15.63051      11.45051 
1 1 1 -1  17 22 o 121.0981 9.367845 153.9112       22.88953  124.8424       
37.10950  171.7619       29.08041  104.6536 18.09184 127.0538 11.37583 
-22.40020      21.37110 
1 1 1 -1  17 23 o 30.90005 14.18632 -10.84828      20.31539  -3.821036      
25.27864  -23.66455      34.13831  37.07380 16.53089 37.60219 17.64186 
-0.5283890     24.17655 
1 1 1 -1  18 1  o 70.67307 4.435012 51.02341       6.341519  59.25808       
7.562089  31.50956       11.64099  76.14806 4.909667 54.59045 10.86834 
21.55761       11.92584 
1 1 1 -1  18 2  o 182.5499 3.080559 338.9536       11.43569  342.8486       
13.16589  326.9871       23.07721  183.5855 3.526634 179.1948 6.332955 
4.390686       7.248687 
1 1 1 -1  18 3  o 152.0961 3.701108 235.3253       11.44725  234.6965       
13.92139  236.6380       20.11515  151.8749 4.507597 152.4430 6.488800 
-0.5680389     7.900820 
1 1 1 -1  18 4  f 299.5703 4.189858 912.9869       25.52404  908.5420       
31.11920  922.1238       44.61673  298.7984 5.121518 300.8930 7.291792 
-2.094604      8.910678 
1 1 1 -1  18 5  o 263.5851 4.141823 706.7598       22.20056  652.9140       
36.97485  737.1149       27.76171  253.2233 7.180446 269.1537 5.072178 
-15.93042      8.791234 
1 1 1 -1  18 6  o 421.9188 4.382189 1810.841       37.59858  1803.160       
52.99556  1818.625       53.35105  420.9260 6.191307 422.7263 6.206293 
-1.800293      8.766434 
1 1 1 -1  18 7  o 870.7664 8.676004 7721.541       153.6289  7784.564       
189.6333  7601.185       262.0576  873.9629 10.67014 862.6301 14.93897 
11.33276       18.35823 
1 1 1 -1  18 8  o 540.7921 5.215521 2975.181       57.35609  2894.671       
79.25788  3063.699       83.10641  533.2881 7.308514 548.6262 7.449147 
-15.33807      10.43572 
1 1 1 -1  18 9  o 569.5214 6.301422 3300.649       72.97935  3340.571       
90.03624  3224.181       124.6100  572.8362 7.729215 562.4249 10.89524 
10.41132       13.35841 
1 1 1 -1  18 10 o 149.5936 5.992591 227.7377       18.22969  263.9872       
22.02820  148.9612       32.47326  161.0411 6.726525 120.0140 13.54268 
41.02712       15.12119 
1 1 1 -1  18 11 o 194.5027 5.701897 385.0487       22.55260  394.9991       
26.85588  361.2458       41.53702  196.9614 6.705123 187.8252 10.92218 
9.136215       12.81611 
1 1 1 -1  18 12 o 234.3127 5.541931 558.9468       26.40635  559.3220       
31.45538  558.0513       48.59636  234.3284 6.601133 233.7650 10.22287 
0.5634003      12.16889 
1 1 1 -1  18 13 o 267.8221 5.318990 730.4705       28.96857  763.7485       
36.58952  674.5751       47.42048  273.7405 6.573040 256.9829 9.074241 
16.75760       11.20476 
1 1 1 -1  18 14 o 389.2473 4.836852 1543.142       38.28599  1579.764       
55.01753  1508.755       53.31187  393.5005 6.875501 384.5662 6.817129 
8.934387       9.682240 
1 1 1 -1  18 15 o 153.2552 5.801764 239.5221       18.08118  228.5697       
25.37687  250.8156       25.76895  149.2358 8.396179 156.3950 8.130602 
-7.159180      11.68771 
1 1 1 -1  18 16 o 81.84914 9.246944 69.56870       15.12101  86.68092       
21.72865  53.49969       21.05590  90.89474 12.05278 70.41899 15.15304 
20.47575       19.36193 
1 1 1 -1  18 17 o 131.7880 6.629368 177.9639       17.70967  186.3901       
25.73574  170.3849       24.40753  134.3489 9.480856 128.4375 9.410545 
5.911423       13.35833 
1 1 1 -1  18 18 o 256.9525 6.200296 674.8793       32.39789  629.5926       
38.14455  792.1360       61.37851  247.8614 7.567844 276.8567 10.90209 
-28.99529      13.27132 
1 1 1 -1  18 19 o 85.20176 12.81693 77.19262       21.51896  71.95249       
36.99361  79.87249       26.45531  79.88686 22.04977 85.81983 15.73913 
-5.932976      27.09082 
1 1 1 -1  18 20 o 80.99490 13.51101 70.50317       21.46949  21.64333       
36.98613  95.33286       26.36626  55.30120 21.98298 94.23650 14.19949 
-38.93530      26.17015 
1 1 1 -1  18 21 o 55.09713 16.12725 33.47330       19.22243  48.75609       
28.49812  20.71573       26.03747  65.65774 19.74214 49.24110 18.75700 
16.41664       27.23191 
1 1 1 -1  18 22 o 52.18603 15.99460 30.44751       18.58032  46.13891       
25.79650  13.53123       26.78442  62.98134 18.74829 45.41799 18.47757 
17.56335       26.32335 
1 1 1 -1  18 23 o 58.65975 16.68546 40.78093       20.85068  50.36316       
25.66572  22.18143       35.75779  64.28542 18.58328 51.45809 21.18900 
12.82734       28.18355 
1 1 1 -1  19 1  o 114.5352 3.153107 133.4309       7.343942  117.7836       
10.28586  149.7021       10.48892  107.5864 4.701451 121.2999 4.252248 
-13.71354      6.339184 
1 1 1 -1  19 2  o 486.4864 4.622624 2408.189       45.73100  2417.073       
52.88475  2381.853       91.05444  487.3217 5.336583 483.2693 9.265322 
4.052460       10.69230 
1 1 1 -1  19 3  o 399.9438 4.100276 1627.270       33.34751  1614.729       
38.23487  1667.135       68.16832  398.3638 4.719852 404.4678 8.287951 
-6.104065      9.537669 
1 1 1 -1  19 4  o 45.96167 8.728495 22.24147       7.859721  17.24179       
9.379768  34.02768       14.40152  40.47168 11.07508 56.59803 12.81129 
-16.12635      16.93477 
1 1 1 -1  19 5  o 280.5062 5.213999 800.6031       29.74163  869.9315       
43.57592  740.1420       40.69387  292.2971 7.331126 269.6074 7.422424 
22.68970       10.43254 
1 1 1 -1  19 6  o 550.9906 6.018612 3089.346       67.43603  3024.872       
81.15636  3233.161       121.2087  545.1035 7.321368 563.1861 10.58353 
-18.08264      12.86909 
1 1 1 -1  19 7  o 484.0783 6.843466 2384.890       67.36638  2384.890       
67.36638  0.000000       0.000000  484.0783 6.843466 ?        ?        
0.000000       6.843466 
1 1 1 -1  19 8  o 425.4593 5.237838 1841.529       45.31704  1856.808       
55.76707  1811.826       77.75690  427.1610 6.419997 421.7805 9.065694 
5.380554       11.10870 
1 1 1 -1  19 9  o 416.3521 5.275331 1763.656       44.66444  1750.610       
54.55743  1790.169       77.77645  414.7442 6.468776 419.2098 9.123580 
-4.465546      11.18413 
1 1 1 -1  19 10 o 285.2322 4.927043 827.7629       28.57829  795.9852       
34.73583  894.3341       50.27596  279.6539 6.108088 296.2969 8.344143 
-16.64301      10.34086 
1 1 1 -1  19 11 o 473.8804 5.838540 2285.984       56.26320  2293.316       
69.37057  2271.890       96.18088  474.4948 7.189394 471.8741 10.02331 
2.620789       12.33508 
1 1 1 -1  19 12 f 371.0061 6.634335 1402.397       50.05297  1402.397       
50.05297  0.000000       0.000000  371.0061 6.634335 ?        ?        
0.000000       6.634335 
1 1 1 -1  19 13 o 348.6273 5.370244 1237.982       38.07211  1191.269       
46.16452  1337.311       67.31713  341.8264 6.641273 361.7338 9.151349 
-19.90741      11.30724 
1 1 1 -1  19 14 o 190.3522 5.156566 369.1784       19.96043  344.2233       
27.54498  396.7731       28.96516  183.6074 7.377356 197.1418 7.225132 
-13.53438      10.32608 
1 1 1 -1  19 15 o 145.9699 5.894909 217.3542       17.49814  205.6362       
24.30867  229.9555       25.20805  141.4842 8.488166 149.6735 8.314905 
-8.189316      11.88220 
1 1 1 -1  19 16 o 108.4833 8.722543 121.4106       19.07967  104.2351       
32.08729  130.8049       23.73068  98.55163 16.60100 112.2737 10.51648 
-13.72209      19.65171 
1 1 1 -1  19 17 o 50.69666 15.97544 26.77704       18.39174  65.46374       
33.39920  9.940749       22.03325  76.84155 20.84527 42.21038 16.90471 
34.63118       26.83830 
1 1 1 -1  19 18 o 279.3816 6.121956 797.9225       34.78080  772.2854       
41.68076  856.7063       63.11463  274.4968 7.467015 287.8665 10.78171 
-13.36975      13.11493 
1 1 1 -1  19 19 o 146.3709 8.310748 220.9009       24.63497  166.3264       
41.27321  251.1037       30.70413  124.2007 16.77036 155.6935 9.746943 
-31.49287      19.39711 
1 1 1 -1  19 20 o 175.7805 6.508149 316.6584       23.26375  291.5387       
33.13273  341.0842       32.67192  167.5732 9.765345 181.8324 8.835927 
-14.25917      13.16949 
1 1 1 -1  19 21 o 98.36665 10.17732 101.8922       20.06346  85.56033       
27.77950  119.7011       29.00843  87.78844 16.15626 105.2382 13.89477 
-17.44974      21.30937 
1 1 1 -1  19 22 o 53.62215 15.80147 32.61534       18.39873  36.06358       
25.67476  28.97535       26.37900  56.49244 18.95208 52.60545 19.09791 
3.886990       26.90560 
1 1 1 -1  19 23 o 104.3537 10.80943 118.1148       22.60569  99.68003       
27.12250  160.0559       40.91011  93.33071 14.78334 115.8736 17.94168 
-22.54294      23.24760 
1 1 1 -1  20 1  f 361.3008 4.394196 1328.130       32.28493  1377.643       
40.70483  1244.154       53.01042  367.9106 5.440669 349.4794 7.459131 
18.43115       9.232525 
1 1 1 -1  20 2  o 218.0668 4.524099 483.8228       20.06195  483.8228       
20.06195  0.000000       0.000000  218.0668 4.524099 ?        ?        
0.000000       4.524099 
1 1 1 -1  20 3  o 639.0760 6.597036 4158.110       85.73394  4158.110       
85.73394  0.000000       0.000000  639.0760 6.597036 ?        ?        
0.000000       6.597036 
1 1 1 -1  20 4  o 381.4406 4.671480 1480.257       36.23538  1480.257       
36.23538  0.000000       0.000000  381.4406 4.671480 ?        ?        
0.000000       4.671480 
1 1 1 -1  20 5  o 302.1276 4.335547 928.5414       26.63702  937.7263       
46.52570  924.0627       32.48858  303.4774 7.539024 301.3638 5.301370 
2.113586       9.216367 
1 1 1 -1  20 6  o 282.1541 4.380608 809.7960       25.13461  839.3361       
44.73260  796.1669       30.38461  287.1308 7.661134 279.7412 5.341286 
7.389587       9.339289 
1 1 1 -1  20 7  o 781.9566 6.869986 6223.135       109.2421  6391.443       
158.3717  6070.367       150.8834  792.0567 9.832638 771.9399 9.611841 
20.11682       13.75021 
1 1 1 -1  20 8  f 75.63476 7.275750 58.76824       11.05245  63.85201       
15.99975  54.12808       15.28575  78.49359 10.26999 72.08810 10.75647 
6.405487       14.87194 
1 1 1 -1  20 9  o 361.8840 4.387047 1332.190       32.28443  1372.081       
46.47649  1294.994       44.87953  367.1739 6.224580 356.7125 6.186977 
10.46140       8.776337 
1 1 1 -1  20 10 o 402.8179 4.676350 1650.921       38.30603  1570.576       
52.38781  1743.232       56.15388  392.7683 6.559073 413.7848 6.673502 
-21.01651      9.357193 
1 1 1 -1  20 11 o 235.6642 4.615635 565.1546       22.11956  578.3384       
31.61406  552.5109       30.95976  238.2990 6.523891 232.9165 6.536510 
5.382507       9.235103 
1 1 1 -1  20 12 o 169.6029 6.310175 293.0757       21.76336  277.0851       
25.64304  334.2553       41.15089  164.8317 7.650281 180.3761 11.27544 
-15.54442      13.62580 
1 1 1 -1  20 13 o 196.1462 5.954645 392.1204       23.75129  385.3116       
29.91593  403.7301       39.06442  194.2929 7.571716 198.6409 9.670776 
-4.348022      12.28230 
1 1 1 -1  20 14 o 241.1532 5.509412 592.8086       27.01778  564.1796       
46.29652  607.5942       33.27089  234.6311 9.703120 243.9925 6.705580 
-9.361481      11.79472 
1 1 1 -1  20 15 o 166.7869 6.384851 283.9984       21.65529  286.4825       
37.40424  282.7460       26.55915  166.4721 11.11299 166.2450 7.856231 
0.2271423      13.60951 
1 1 1 -1  20 16 o 173.2234 7.893787 307.2886       27.80632  307.2886       
27.80632  0.000000       0.000000  173.2234 7.893787 ?        ?        
0.000000       7.893787 
1 1 1 -1  20 17 o 207.6864 5.435431 440.3002       22.95585  465.2267       
32.73631  416.1847       32.19931  213.0942 7.554514 201.4872 7.858645 
11.60703       10.90087 
1 1 1 -1  20 18 o 57.35905 17.04676 35.53273       21.33950  11.52943       
24.74165  105.2538       42.16722  44.62920 17.89938 96.57780 21.96650 
-51.94860      28.33575 
1 1 1 -1  20 19 o 128.0161 16.81071 176.9334       42.70446  176.9334       
42.70446  0.000000       0.000000  128.0161 16.81071 ?        ?        
0.000000       16.81071 
1 1 1 -1  20 20 f 81.00838 12.74501 70.37672       20.30173  83.68967       
29.36669  58.18981       28.09731  86.87193 17.23201 71.80972 18.96103 
15.06221       25.62153 
1 1 1 -1  20 21 o 41.78131 15.92895 14.42110       18.78789  -6.815364      
26.63089  35.46471       26.50969  37.96646 16.94529 57.13556 19.25733 
-19.16910      25.65127 
1 1 1 -1  20 22 o 36.01744 14.91222 6.180583       17.84288  12.79704       
24.87611  -0.8304171     25.60706  43.65098 17.78840 38.60552 16.95130 
5.045460       24.57180 
1 1 1 -1  20 23 o 81.41337 13.71806 75.46127       21.90380  79.46755       
25.99182  65.64442       40.68661  81.97093 16.16726 69.33166 23.85035 
12.63927       28.81353 
1 1 1 -1  21 1  o 225.1680 3.721447 515.7251       17.04001  531.3140       
30.51132  508.6590       20.54208  228.4436 6.567961 223.5977 4.517787 
4.845917       7.971732 
1 1 1 -1  21 2  o 481.0561 6.554518 2355.951       64.11917  2330.380       
90.18874  2382.086       91.17571  478.1331 9.275816 483.4085 9.274991 
-5.275421      13.11740 
1 1 1 -1  21 3  o 533.0732 4.986167 2891.333       54.05117  2917.057       
62.79374  2817.761       106.1933  535.3763 5.767741 525.7034 9.933557 
9.672852       11.48662 
1 1 1 -1  21 4  o 661.7289 6.817013 4457.544       91.73300  4457.544       
91.73300  0.000000       0.000000  661.7289 6.817013 ?        ?        
0.000000       6.817013 
1 1 1 -1  21 5  o 348.8707 4.601192 1238.117       32.64272  1272.821       
57.57575  1221.678       39.62695  353.5518 8.008204 346.5052 5.623794 
7.046600       9.785621 
1 1 1 -1  21 6  o 220.2077 4.363823 493.2462       19.54119  492.4388       
33.75760  493.6530       23.96454  219.9381 7.547788 220.2759 5.349963 
-0.3378448     9.251552 
1 1 1 -1  21 7  o 138.6096 4.536482 195.4334       12.78686  208.1200       
18.53095  183.9026       17.66669  143.0073 6.372182 134.4280 6.462701 
8.579285       9.075859 
1 1 1 -1  21 8  o 668.9708 6.107637 4554.176       83.08676  4720.467       
121.2358  4406.899       114.0940  680.7653 8.757540 657.7960 8.529430 
22.96930       12.22480 
1 1 1 -1  21 9  o 573.6136 5.522607 3348.283       64.41916  3316.236       
90.63921  3380.994       91.57287  570.6244 7.811139 576.1683 7.815666 
-5.543945      11.04982 
1 1 1 -1  21 10 o 378.4640 5.276510 1457.736       40.60904  1589.471       
74.39526  1401.826       48.46645  394.8083 9.266327 371.0511 6.423267 
23.75717       11.27489 
1 1 1 -1  21 11 o 215.4365 9.607576 473.8174       42.09054  473.8174       
42.09054  0.000000       0.000000  215.4365 9.607576 ?        ?        
0.000000       9.607576 
1 1 1 -1  21 12 o 318.4219 5.495409 1032.721       35.58397  1023.247       
43.75493  1051.225       61.15076  316.8128 6.791611 320.7297 9.375862 
-3.916901      11.57725 
1 1 1 -1  21 13 o 370.8040 6.697961 1402.645       50.50548  1335.655       
71.90374  1467.883       70.95673  361.1632 9.790312 378.7715 9.212233 
-17.60831      13.44304 
1 1 1 -1  21 14 o 140.9923 5.964565 202.7738       17.10116  190.1686       
23.88098  216.0412       24.50029  136.0249 8.678671 145.0738 8.339924 
-9.048874      12.03635 
1 1 1 -1  21 15 o 167.3943 5.483362 285.8191       18.66547  297.3116       
26.60149  274.6733       26.19707  170.4658 7.673919 163.8219 7.863744 
6.643936       10.98761 
1 1 1 -1  21 16 o 47.01766 14.18710 23.25805       14.69788  2.105519       
21.06673  43.31926       20.51609  37.77072 15.95796 63.09599 15.97425 
-25.32526      22.57948 
1 1 1 -1  21 17 o 61.48955 15.10819 41.20483       18.75597  106.2324       
33.04096  10.28818       22.78244  98.97058 17.03131 42.80669 17.17337 
56.16389       24.18657 
1 1 1 -1  21 18 o 153.2930 7.960877 241.9508       24.73075  199.3259       
28.87562  359.2812       47.90767  138.4858 10.32784 185.1866 12.80022 
-46.70076      16.44719 
1 1 1 -1  21 19 o 77.96652 14.08995 65.71122       21.51707  68.42397       
36.67039  64.28680       26.57236  77.59264 22.14745 76.09764 17.53225 
1.494995       28.24693 
1 1 1 -1  21 20 o 61.55269 15.50070 42.01872       19.39076  23.76510       
27.21231  60.84790       27.63800  51.45802 19.26995 73.33137 18.52712 
-21.87335      26.73173 
1 1 1 -1  21 21 o 136.5327 7.795348 193.4850       21.55355  205.6553       
31.06833  182.1930       29.92639  139.3699 11.05286 130.9913 11.34675 
8.378586       15.84027 
1 1 1 -1  21 22 o 63.63176 14.66397 46.38754       18.58508  25.85322       
25.74095  68.74841       26.86141  50.18041 18.75152 76.13195 17.68793 
-25.95154      25.77756 
1 1 1 -1  22 1  o 58.83469 4.770249 35.45001       5.658103  27.95481       
8.046457  42.78098       7.957812  51.80115 7.887642 64.54018 6.137220 
-12.73904      9.994017 
1 1 1 -1  22 2  o 283.2896 3.506227 816.2619       20.19864  839.6138       
23.58212  751.9459       39.13646  287.2975 4.036449 271.7587 7.081849 
15.53879       8.151411 
1 1 1 -1  22 3  o 168.1409 3.908311 287.5674       13.36331  287.5674       
13.36331  0.000000       0.000000  168.1409 3.908311 ?        ?        
0.000000       3.908311 
1 1 1 -1  22 4  o 596.3434 6.306139 3619.317       76.47357  3619.317       
76.47357  0.000000       0.000000  596.3434 6.306139 ?        ?        
0.000000       6.306139 
1 1 1 -1  22 5  f 516.1292 5.727677 2710.545       60.11577  2748.452       
105.4370  2692.287       73.17494  519.3378 9.983704 514.2951 6.996786 
5.042664       12.19136 
1 1 1 -1  22 6  o 438.8217 9.001727 1961.391       80.32771  0.000000       
0.000000  1961.391       80.32771  ?        ?        438.8217 9.001727 
0.000000       9.001727 
1 1 1 -1  22 7  o 805.2236 9.971995 6607.408       163.2864  0.000000       
0.000000  6607.408       163.2864  ?        ?        805.2236 9.971995 
0.000000       9.971995 
1 1 1 -1  22 8  o 214.0782 5.979541 466.4048       26.03105  0.000000       
0.000000  466.4048       26.03105  ?        ?        214.0782 5.979541 
0.000000       5.979541 
1 1 1 -1  22 9  o 221.3137 8.816397 499.1929       39.67810  499.1929       
39.67810  0.000000       0.000000  221.3137 8.816397 ?        ?        
0.000000       8.816397 
1 1 1 -1  22 10 o 94.78280 8.400303 92.30363       16.02333  52.16735       
27.91367  112.0287       19.56850  70.01485 19.08318 104.3840 9.316677 
-34.36914      21.23601 
1 1 1 -1  22 11 o 254.6116 5.277148 660.0501       27.32303  613.1623       
46.34238  685.0339       33.82810  245.0463 9.299911 259.3001 6.415395 
-14.25386      11.29804 
1 1 1 -1  22 12 o 312.9089 4.670793 996.9370       29.72077  948.6558       
41.53955  1047.575       42.54137  305.0118 6.697206 320.5432 6.526397 
-15.53131      9.351280 
1 1 1 -1  22 13 o 132.2075 8.607523 179.5290       23.01503  186.9701       
37.43224  175.0062       29.18291  133.8623 13.95627 130.0798 11.13980 
3.782501       17.85701 
1 1 1 -1  22 14 o 271.6067 4.671653 751.6741       25.80254  735.0123       
36.50646  768.3064       36.47416  268.2788 6.691630 274.3148 6.538597 
-6.035950      9.355809 
1 1 1 -1  22 15 o 274.6839 4.768867 769.1422       26.63790  716.0659       
36.84401  827.2709       38.55775  264.6761 6.845429 284.5262 6.664047 
-19.85004      9.553503 
1 1 1 -1  22 16 o 224.8110 5.156833 515.6542       23.57502  511.2608       
33.25585  520.0923       33.42502  223.4604 7.318398 225.3877 7.292730 
-1.927231      10.33164 
1 1 1 -1  22 17 o 144.4726 7.610764 214.6412       22.28079  246.0136       
38.97495  199.4113       27.15566  153.2517 12.61845 138.7490 9.685271 
14.50264       15.90691 
1 1 1 -1  22 18 o 197.4757 5.804340 398.7197       23.30869  393.1119       
32.40696  404.7299       33.54967  195.5554 8.149240 198.3792 8.316501 
-2.823868      11.64364 
1 1 1 -1  22 19 o 99.09144 11.77887 103.7196       23.27017  23.02202       
39.64612  146.1317       28.74190  56.87416 22.71194 117.6984 12.18512 
-60.82423      25.77420 
1 1 1 -1  22 20 o 153.4748 7.304933 242.4723       22.79842  197.6650       
32.49817  285.8934       31.99148  136.7703 11.80017 165.6805 9.535611 
-28.91022      15.17141 
1 1 1 -1  22 21 o 58.86559 15.99275 39.40105       19.64193  13.71486       
28.45056  62.79387       27.15078  46.44691 18.98652 73.44183 18.25798 
-26.99492      26.34088 
1 1 1 -1  22 22 o 51.25600 17.34429 29.88681       21.50515  11.58331       
37.82078  38.63203       26.14260  48.71111 21.00094 57.06321 19.12407 
-8.352097      28.40369 
1 1 1 -1  23 1  o 389.3696 4.030668 1542.160       31.91468  1553.124       
45.44965  1531.496       44.82517  390.6673 5.721002 387.9398 5.682065 
2.727509       8.063232 
1 1 1 -1  23 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 -1  23 3  o 170.7882 4.731721 296.7379       16.43344  296.7379       
16.43344  0.000000       0.000000  170.7882 4.731721 ?        ?        
0.000000       4.731721 
1 1 1 -1  23 4  o 582.3736 6.186574 3451.510       73.26614  3395.796       
88.46791  3573.147       130.7198  577.5310 7.532845 592.0024 10.85842 
-14.47137      13.21548 
1 1 1 -1  23 5  o 328.7427 3.512208 1099.143       23.47944  1078.779       
29.97126  1131.496       37.77746  325.6533 4.525829 333.4757 5.570794 
-7.822418      7.177526 
1 1 1 -1  23 6  o 426.3842 6.319412 1850.205       54.79353  1792.638       
76.27065  1911.605       78.76924  419.5071 8.940599 433.2036 8.941558 
-13.69641      12.64459 
1 1 1 -1  23 7  o 109.9731 5.545001 123.3745       12.36059  116.8727       
17.41534  129.9745       17.54643  106.8233 8.076714 112.7182 7.701057 
-5.894875      11.15973 
1 1 1 -1  23 8  o 911.0804 7.870282 8454.818       145.8137  8411.950       
205.5111  8498.276       206.9196  907.9646 11.13051 912.6061 11.14979 
-4.641479      15.75456 
1 1 1 -1  23 9  o 216.8554 4.410460 478.4674       19.44937  429.2411       
26.68942  534.2117       28.40147  205.3217 6.392238 229.0701 6.097066 
-23.74841      8.833737 
1 1 1 -1  23 10 f 42.58453 13.53675 18.23228       13.18306  17.79221       
18.96908  18.64339       18.33444  45.21503 16.22471 45.42260 15.98782 
-0.2075615     22.77832 
1 1 1 -1  23 11 o 126.4061 7.264583 163.4785       18.59519  94.81510       
30.62803  203.5641       23.40187  94.52767 16.53563 140.9934 8.197455 
-46.46571      18.45604 
1 1 1 -1  23 12 o 108.4436 7.156307 120.5292       15.69264  122.2997       
23.13923  119.0214       21.35366  108.7319 10.59982 107.3713 9.891068 
1.360596       14.49791 
1 1 1 -1  23 13 o 254.0471 5.452401 657.9520       28.16783  667.7571       
49.19931  653.1708       34.35574  255.2548 9.478371 252.9558 6.678873 
2.298981       11.59512 
1 1 1 -1  23 14 o 122.1797 6.664733 152.9410       16.49642  147.7470       
22.52359  158.9511       24.22850  119.6430 9.331391 124.0539 9.680924 
-4.410919      13.44601 
1 1 1 -1  23 15 o 48.71294 14.14211 25.23893       14.83557  15.73817       
20.89232  34.90210       21.07013  44.62234 16.84854 57.11292 16.93089 
-12.49059      23.88573 
1 1 1 -1  23 16 o 78.77644 9.933968 64.92861       15.55984  89.43242       
22.29482  41.65907       21.72606  92.08530 12.20676 61.77626 16.83496 
30.30903       20.79473 
1 1 1 -1  23 17 o 35.69414 15.09845 1.921586       18.89433  28.04363       
35.01423  -8.809662      22.44224  57.35664 21.77449 34.46941 15.45762 
22.88724       26.70330 
1 1 1 -1  23 18 o 165.5736 6.534074 280.8084       22.00019  276.1460       
31.05603  285.5052       31.17023  163.2970 9.391822 166.0896 9.265739 
-2.792648      13.19319 
1 1 1 -1  23 19 o 131.1985 9.271795 178.8374       24.57756  208.4290       
43.56701  165.0239       29.76628  139.0786 15.67797 125.1610 11.83558 
13.91759       19.64382 
1 1 1 -1  23 20 o 123.1635 8.408698 157.6898       20.93433  108.3604       
30.20396  203.2952       29.04147  99.30850 15.45933 139.1750 10.33517 
-39.86653      18.59587 
1 1 1 -1  23 21 o 88.16592 10.95553 83.44360       19.21854  90.36415       
27.35751  76.70065       27.00419  89.54633 15.59012 81.71651 16.81154 
7.829826       22.92770 
1 1 1 -1  23 22 o 54.95721 15.61635 35.54098       18.27392  43.33861       
27.34226  29.24622       24.56646  59.41667 19.54545 51.06913 18.44694 
8.347538       26.87590 
1 1 1 -1  24 1  o 167.4148 3.703262 285.0730       12.60752  301.3096       
15.92884  257.8431       20.62811  172.1015 4.551431 159.1656 6.373215 
12.93587       7.831564 
1 1 1 -1  24 2  o 294.7788 4.153106 883.8850       24.89550  883.8850       
24.89550  0.000000       0.000000  294.7788 4.153106 ?        ?        
0.000000       4.153106 
1 1 1 -1  24 3  o 368.4318 4.609620 1380.874       34.53613  1380.874       
34.53613  0.000000       0.000000  368.4318 4.609620 ?        ?        
0.000000       4.609620 
1 1 1 -1  24 4  o 296.8432 4.291990 896.3170       25.90821  910.7179       
31.95541  868.6920       44.25899  299.1865 5.252318 292.1071 7.450886 
7.079376       9.116059 
1 1 1 -1  24 5  o 202.9032 3.680764 418.7328       15.18722  424.6703       
17.73824  402.4279       29.39448  204.3255 4.269102 198.8221 7.270256 
5.503372       8.431005 
1 1 1 -1  24 6  o 96.98389 7.657384 96.36915       14.97905  96.10557       
22.36191  96.58367       20.17382  96.36663 11.64754 96.77900 10.41471 
-0.4123688     15.62470 
1 1 1 -1  24 7  o 381.5316 4.386564 1480.857       34.03348  1533.828       
49.08768  1431.825       47.22741  388.1913 6.218351 375.0633 6.192103 
13.12808       8.775536 
1 1 1 -1  24 8  o 395.2988 4.507229 1589.854       36.23152  1632.436       
52.09960  1549.974       50.41989  400.4243 6.398269 390.1832 6.354508 
10.24115       9.017629 
1 1 1 -1  24 9  o 155.1374 5.093956 244.9599       16.07027  217.5349       
22.35464  274.2903       23.11817  145.9118 7.559928 164.0919 6.928112 
-18.18010      10.25433 
1 1 1 -1  24 10 o 172.1704 5.037426 301.7769       17.63676  322.4377       
24.97244  281.2160       24.91195  177.8682 6.904164 166.0821 7.376214 
11.78610       10.10327 
1 1 1 -1  24 11 o 199.9949 5.530260 407.4773       22.49137  387.1188       
38.36992  418.1340       27.76072  194.5431 9.698928 202.4977 6.741542 
-7.954590      11.81176 
1 1 1 -1  24 12 o 360.6920 4.700392 1325.136       34.47641  1383.647       
50.33364  1273.422       47.31982  368.2304 6.721827 353.2842 6.586694 
14.94623       9.411030 
1 1 1 -1  24 13 o 60.98779 13.69670 39.98389       16.57133  88.42880       
28.95395  16.38469       20.20842  90.82073 16.27510 44.74462 16.63540 
46.07611       23.27263 
1 1 1 -1  24 14 o 173.5955 5.346713 307.4021       18.87455  316.4987       
26.24393  297.6556       27.16521  175.8940 7.337134 170.5049 7.834742 
5.389069       10.73390 
1 1 1 -1  24 15 o 282.2330 4.795153 812.3231       27.52084  834.4437       
39.09467  790.5927       38.74833  285.6387 6.730526 278.0020 6.854150 
7.636688       9.606215 
1 1 1 -1  24 16 o 106.6598 7.864204 117.3496       16.93686  113.7479       
23.12540  121.5167       24.87482  104.2690 11.07603 107.6829 11.53930 
-3.413925      15.99481 
1 1 1 -1  24 17 o 40.79327 15.85446 11.78069       18.86673  -20.77513      
29.14230  35.27123       24.75460  36.37416 16.80454 57.63651 18.57380 
-21.26235      25.04753 
1 1 1 -1  24 18 o 194.1564 5.909704 385.7336       23.33291  377.9866       
32.70090  393.7683       33.30278  191.5800 8.393790 195.5441 8.374993 
-3.964081      11.85733 
1 1 1 -1  24 19 o 214.2152 6.712910 471.0677       29.24237  403.1196       
49.15752  508.2816       36.37919  195.5609 12.42557 222.0500 8.056581 
-26.48918      14.80889 
1 1 1 -1  24 20 o 257.0084 5.549728 677.3552       29.00484  604.3629       
40.58224  753.5768       41.47023  241.5226 8.262792 270.1103 7.549948 
-28.58766      11.19265 
1 1 1 -1  24 21 o 68.32025 13.84362 52.48775       18.57428  65.84499       
26.81008  40.15874       25.75752  74.66266 17.89198 58.63466 18.95164 
16.02800       26.06315 
1 1 1 -1  24 22 o 183.7342 13.19680 376.9828       48.97869  376.9828       
48.97869  0.000000       0.000000  183.7342 13.19680 ?        ?        
0.000000       13.19680 
1 1 1 -1  25 1  o 272.6272 3.980851 756.0081       22.06970  743.6161       
27.00032  780.9550       38.30950  270.3565 4.911122 276.9868 6.801365 
-6.630280      8.389141 
1 1 1 -1  25 2  o 321.0209 4.308112 1048.292       28.12365  1048.292       
28.12365  0.000000       0.000000  321.0209 4.308112 ?        ?        
0.000000       4.308112 
1 1 1 -1  25 3  o 314.2535 3.760437 1004.452       24.03089  1051.120       
28.35839  885.5806       45.25970  321.4529 4.338233 294.9216 7.546640 
26.53122       8.704714 
1 1 1 -1  25 4  o 483.9054 5.451931 2382.621       53.64908  2328.402       
64.45322  2504.920       96.80162  478.2857 6.626830 495.7946 9.601286 
-17.50891      11.66617 
1 1 1 -1  25 5  o 491.6768 9.621630 2463.718       96.20103  0.000000       
0.000000  2463.718       96.20103  ?        ?        491.6768 9.621630 
0.000000       9.621630 
1 1 1 -1  25 6  o 416.7789 5.144038 1767.452       43.59747  1754.452       
53.35612  1793.570       75.62555  415.1666 6.319903 419.5475 8.864126 
-4.380920      10.88641 
1 1 1 -1  25 7  o 177.4233 4.438864 320.2654       16.01526  311.1679       
22.42456  329.7365       22.88030  174.8304 6.307475 179.9732 6.251763 
-5.142792      8.880810 
1 1 1 -1  25 8  o 591.6298 5.623437 3563.082       67.65553  3486.081       
93.98378  3645.903       97.47018  584.8713 7.902076 598.1085 8.013834 
-13.23724      11.25453 
1 1 1 -1  25 9  o 252.9347 4.327950 651.0344       22.26087  673.8043       
31.90606  629.4370       31.07369  257.2132 6.099979 248.5976 6.146735 
8.615616       8.659798 
1 1 1 -1  25 10 o 44.87873 13.35825 20.94542       13.09640  7.414541       
18.42096  34.77459       18.62289  38.53507 15.44842 57.16585 15.58963 
-18.63078      21.94744 
1 1 1 -1  25 11 o 352.6384 5.334748 1266.985       38.25559  1258.122       
65.82323  1271.506       47.01031  350.6873 9.230129 353.0839 6.547323 
-2.396637      11.31648 
1 1 1 -1  25 12 o 63.14346 11.44642 42.23926       14.15648  53.12867       
19.84119  30.94758       20.20434  70.42090 14.34246 54.40025 16.67992 
16.02065       21.99831 
1 1 1 -1  25 13 o 200.6086 5.690442 410.5911       23.21384  406.4669       
39.94992  412.6935       28.52346  198.9148 9.876370 200.9481 6.980184 
-2.033310      12.09403 
1 1 1 -1  25 14 o 204.0444 4.954557 424.5912       20.55801  442.6736       
29.16864  406.7431       28.97912  208.0531 6.894306 199.3879 7.147183 
8.665176       9.930442 
1 1 1 -1  25 15 o 209.7787 5.065073 449.0459       21.60720  398.8979       
29.53699  506.7746       31.69098  197.3287 7.360793 222.4950 7.004289 
-25.16632      10.16077 
1 1 1 -1  25 16 o 158.7547 5.916961 257.6850       19.10190  259.3607       
26.44604  255.8572       27.62056  158.6547 8.225250 157.4637 8.659096 
1.191025       11.94298 
1 1 1 -1  25 17 o 90.28342 10.98196 85.80831       19.74700  67.44431       
33.06672  95.98784       24.61905  77.19255 20.65805 94.91648 13.10443 
-17.72393      24.46387 
1 1 1 -1  25 18 o 160.8854 9.392069 268.5406       30.59413  268.5406       
30.59413  0.000000       0.000000  160.8854 9.392069 ?        ?        
0.000000       9.392069 
1 1 1 -1  25 19 o 45.59615 17.06694 18.20953       21.34116  22.04218       
37.89483  16.42939       25.82605  55.10904 22.13453 46.99599 18.46791 
8.113045       28.82710 
1 1 1 -1  25 20 o 56.83358 16.10477 36.51363       19.46276  51.31124       
28.69980  23.91402       26.48268  66.28027 19.78541 50.40877 18.98378 
15.87151       27.41982 
1 1 1 -1  25 21 o 38.59355 15.28707 11.30334       17.82743  6.025392       
24.50545  17.23693       25.98297  40.21973 17.11175 45.89076 18.36496 
-5.671028      25.10147 
1 1 1 -1  25 22 o 119.6247 9.510503 154.0578       22.94435  209.9596       
42.49060  131.0484       27.26039  133.4865 15.97031 108.0207 12.64958 
25.46580       20.37309 
1 1 1 -1  26 1  o 157.9155 3.871505 253.6490       12.43243  275.4396       
15.61903  215.9702       20.53850  164.5450 4.667862 145.6553 6.934115 
18.88971       8.358881 
1 1 1 -1  26 2  o 401.1096 3.744339 1636.439       30.54145  1566.765       
38.26959  1758.653       50.68473  392.4337 4.795524 415.7040 5.995722 
-23.27029      7.677612 
1 1 1 -1  26 3  o 180.1675 3.596871 330.1541       13.17810  337.0280       
15.39121  311.2739       25.50790  182.0234 4.158092 174.8550 7.173734 
7.168427       8.291694 
1 1 1 -1  26 4  o 434.0010 5.110370 1916.458       45.10186  1928.074       
55.42387  1893.684       77.60159  435.2399 6.262053 431.1207 8.851571 
4.119202       10.84268 
1 1 1 -1  26 5  o 449.6578 5.267311 2057.417       48.16399  2038.351       
58.62031  2097.029       84.49429  447.4835 6.441985 453.6101 9.159952 
-6.126678      11.19839 
1 1 1 -1  26 6  o 308.6091 4.000274 968.8469       25.10440  974.4581       
29.20004  952.9467       49.15355  309.4748 4.639879 305.8452 7.903179 
3.629669       9.164536 
1 1 1 -1  26 7  o 128.0591 5.381318 166.9131       14.01363  167.5356       
19.52658  166.2521       20.12343  128.0136 7.534212 127.4957 7.799169 
0.5178452      10.84396 
1 1 1 -1  26 8  o 329.5310 4.310706 1104.981       28.88658  1105.221       
40.53061  1104.733       41.18073  329.4414 6.049974 329.3604 6.148530 
0.8105469E-01  8.625927 
1 1 1 -1  26 9  o 304.4195 4.376002 943.1934       27.08953  953.6752       
38.53781  932.9554       38.08693  305.9530 6.194139 302.6116 6.189263 
3.341339       8.756389 
1 1 1 -1  26 10 o 160.2999 5.124207 261.7182       16.70365  246.9446       
23.36232  277.1688       23.89162  155.5661 7.384983 164.8315 7.127773 
-9.265411      10.26368 
1 1 1 -1  26 11 o 187.5401 5.791628 358.5872       22.08749  365.4068       
36.93198  354.7898       27.55933  188.6159 9.661242 186.3983 7.270685 
2.217621       12.09142 
1 1 1 -1  26 12 o 251.3159 4.580358 643.5136       23.40835  655.8595       
33.16917  631.2636       33.04003  253.4608 6.435351 248.6472 6.534396 
4.813690       9.171264 
1 1 1 -1  26 13 o 324.1898 5.361123 1072.164       35.34325  1045.663       
60.33541  1086.008       43.60832  319.0985 9.298139 326.0033 6.578032 
-6.904724      11.38973 
1 1 1 -1  26 14 o 160.0616 5.503543 261.5305       17.91352  241.7787       
24.76325  283.2127       25.94513  153.3640 7.967668 166.2532 7.674224 
-12.88916      11.06243 
1 1 1 -1  26 15 o 93.55882 8.392943 90.63612       15.79819  98.57272       
22.19832  82.49065       22.48853  96.87133 11.49287 88.11279 12.93592 
8.758545       17.30388 
1 1 1 -1  26 16 o 43.17620 14.59690 18.51395       15.23165  9.315008       
21.69775  27.45145       21.38721  41.40674 16.70735 51.74764 17.29771 
-10.34090      24.04883 
1 1 1 -1  26 17 o 55.57101 15.89029 33.76164       18.85951  63.09381       
32.69897  19.14036       23.08632  74.58035 20.78430 47.30832 17.74256 
27.27203       27.32738 
1 1 1 -1  26 18 o 49.00856 16.29322 24.87045       18.98171  43.02492       
24.92365  -0.2026890     29.29032  62.20238 18.40834 42.47719 18.39692 
19.72519       26.02525 
1 1 1 -1  26 19 o 185.1803 12.53416 364.0331       46.92199  364.0331       
46.92199  0.000000       0.000000  185.1803 12.53416 ?        ?        
0.000000       12.53416 
1 1 1 -1  26 20 f 58.31107 15.57147 38.72441       18.81218  62.09366       
27.04333  16.81298       26.18624  72.79211 18.29159 46.51340 18.49477 
26.27872       26.01228 
1 1 1 -1  26 21 o 122.0177 8.028887 156.6717       19.81058  157.0893       
28.18221  156.2638       27.85346  119.9584 11.70197 119.7208 11.58574 
0.2375412      16.46711 
1 1 1 -1  26 22 o 86.67401 21.65878 102.2504       38.06699  102.2504       
38.06699  0.000000       0.000000  86.67401 21.65878 ?        ?        
0.000000       21.65878 
1 1 1 -1  27 1  o 316.2198 3.712486 1017.089       23.87291  1034.717       
34.03572  1000.018       33.49360  318.8900 5.248589 313.4972 5.253839 
5.392792       7.426338 
1 1 1 -1  27 2  o 323.1010 3.394692 1061.775       22.30438  1086.858       
29.26977  1027.039       34.44455  326.8605 4.403575 317.6996 5.331536 
9.160858       6.914966 
1 1 1 -1  27 3  o 279.7969 3.707601 796.2923       21.09538  801.4141       
24.44252  781.3386       41.76475  280.6775 4.282397 276.9993 7.414464 
3.678162       8.562312 
1 1 1 -1  27 4  o 765.4886 7.733970 5968.397       120.3906  5928.344       
146.4133  6052.011       211.5440  762.5895 9.441442 769.4525 13.51971 
-6.863037      16.49010 
1 1 1 -1  27 5  o 730.4152 7.469009 5434.164       110.9390  5378.603       
134.6323  5551.689       195.8086  726.3563 9.114821 736.9249 13.06644 
-10.56860      15.93147 
1 1 1 -1  27 6  o 563.0129 5.338163 3226.257       61.11694  3215.356       
70.43436  3259.477       122.9563  561.9659 6.163440 565.0394 10.70091 
-3.073425      12.34899 
1 1 1 -1  27 7  o 531.8708 5.218837 2879.523       56.44577  2794.771       
77.94507  2972.980       81.85082  523.7019 7.319022 540.1190 7.452159 
-16.41711      10.44523 
1 1 1 -1  27 8  f 230.1554 4.355502 539.0991       20.38500  531.7785       
28.30764  546.9847       29.37974  228.4856 6.092470 231.7193 6.234968 
-3.233765      8.717398 
1 1 1 -1  27 9  o 496.8513 5.122365 2514.004       51.75454  2504.319       
72.98794  2523.798       73.39772  495.4995 7.243633 497.4201 7.256176 
-1.920624      10.25292 
1 1 1 -1  27 10 o 212.2228 4.552387 458.6509       19.64639  477.3623       
27.80037  439.9831       27.76802  216.3525 6.318839 207.6835 6.574934 
8.668945       9.119073 
1 1 1 -1  27 11 o 122.9364 9.377908 155.7820       23.26747  162.9883       
29.90067  144.7199       37.04612  125.2632 11.88041 116.9373 15.99858 
8.325981       19.92733 
1 1 1 -1  27 12 o 222.2861 4.730137 503.6185       21.38146  462.0755       
28.77242  554.8537       31.95297  212.6682 6.653074 233.0275 6.742993 
-20.35922      9.472664 
1 1 1 -1  27 13 o 153.0336 6.467974 239.3719       20.12828  219.1143       
33.42239  250.9005       25.21343  145.1894 11.41209 156.2675 7.960733 
-11.07805      13.91435 
1 1 1 -1  27 14 f 136.0150 6.101895 189.0973       16.87729  213.7324       
24.26924  166.0261       23.48622  144.0455 8.320669 126.7088 9.177126 
17.33675       12.38762 
1 1 1 -1  27 15 o 45.11120 14.35227 21.11263       14.81688  30.61400       
21.45167  12.44415       20.48988  53.93120 17.28098 42.27772 16.49704 
11.65348       23.89109 
1 1 1 -1  27 16 f 227.3304 5.162194 528.0078       23.86400  530.2089       
33.44162  525.7238       34.06460  227.2746 7.235772 226.2612 7.403583 
1.013474       10.35227 
1 1 1 -1  27 17 o 129.1605 8.572280 172.8126       22.38736  193.0014       
37.56769  161.6950       27.87815  134.5760 13.92926 124.1180 11.16478 
10.45802       17.85151 
1 1 1 -1  27 18 o 133.3081 8.254884 184.1144       22.26779  185.6718       
28.44235  181.6480       35.79251  133.0806 10.59776 130.3201 13.71177 
2.760422       17.32989 
1 1 1 -1  27 19 o 67.41299 16.46030 51.51490       22.36902  84.80689       
39.14823  35.37632       27.25680  84.00974 22.47554 57.10259 19.52542 
26.90714       29.77233 
1 1 1 -1  27 20 o 50.47829 16.31429 28.45841       19.08764  29.59591       
26.14176  27.15946       27.93543  52.65576 19.02779 51.88656 19.50587 
0.7691994      27.24951 
1 1 1 -1  27 21 o 85.98850 10.65711 80.70335       18.23578  55.92860       
26.25147  103.8071       25.35069  66.94103 18.61126 95.92272 13.35883 
-28.98169      22.90933 
1 1 1 -1  28 1  o 354.6808 3.926651 1279.659       28.32118  1254.502       
39.49968  1306.275       40.62858  351.0984 5.532397 358.2674 5.576644 
-7.168976      7.855340 
1 1 1 -1  28 2  o 409.3697 4.245807 1704.859       35.34494  1647.679       
48.79825  1767.962       51.26341  402.3399 5.964303 416.7605 6.048803 
-14.42062      8.494760 
1 1 1 -1  28 3  o 137.9968 4.081211 193.7254       11.45274  191.4917       
13.49486  199.4761       21.65322  137.1844 4.837404 139.7301 7.649500 
-2.545731      9.050709 
1 1 1 -1  28 4  o 293.0074 7.626810 874.6317       45.44363  0.000000       
0.000000  874.6317       45.44363  ?        ?        293.0074 7.626810 
0.000000       7.626810 
1 1 1 -1  28 5  o 485.3704 6.839364 2399.452       67.50570  2385.151       
95.57073  2413.690       95.36454  483.5000 9.720240 486.3976 9.641489 
-2.897522      13.69092 
1 1 1 -1  28 6  o 246.3580 3.955604 617.4974       19.81668  624.7643       
23.33610  598.7071       37.52489  247.7737 4.631499 242.3693 7.613607 
5.404434       8.911667 
1 1 1 -1  28 7  o 157.2949 4.855195 251.8495       15.53005  250.9401       
21.55209  252.8316       22.39793  156.9279 6.753637 157.5059 6.992938 
-0.5779114     9.721769 
1 1 1 -1  28 8  o 303.1155 4.301520 935.1943       26.51438  891.6287       
36.41846  984.3322       38.67742  295.8160 6.054084 310.8068 6.119494 
-14.99081      8.608144 
1 1 1 -1  28 9  f 294.1717 4.353131 881.0546       26.04078  869.7022       
36.53848  892.7729       37.12292  292.0761 6.151811 295.9225 6.168971 
-3.846405      8.712117 
1 1 1 -1  28 10 o 165.2524 5.045708 278.2703       16.95592  285.2122       
23.67353  270.9576       24.29722  167.1358 6.965338 162.8687 7.336141 
4.267120       10.11607 
1 1 1 -1  28 11 o 72.97682 14.66343 57.21362       21.00551  59.71651       
27.26464  53.55838       32.94855  73.96285 18.24146 70.47450 21.23618 
3.488350       27.99511 
1 1 1 -1  28 12 o 95.64315 8.482054 94.52966       16.32589  96.79671       
20.48641  90.58440       27.02541  96.35844 10.63206 92.07798 14.94572 
4.280457       18.34163 
1 1 1 -1  28 13 o 78.25562 11.06168 64.48612       17.11244  52.14025       
28.41428  71.51248       21.43586  68.84729 19.44154 81.90199 13.32888 
-13.05470      23.57186 
1 1 1 -1  28 14 o 134.9022 6.169528 186.1204       16.92476  200.1100       
23.64748  171.4286       24.23372  139.2932 8.387522 128.6653 9.325346 
10.62790       12.54243 
1 1 1 -1  28 15 o 143.0508 6.110778 209.4236       17.77617  230.2314       
24.83385  187.5597       25.45631  149.3836 8.206493 134.4806 9.367090 
14.90297       12.45347 
1 1 1 -1  28 16 f 178.0310 5.724365 324.3193       20.72404  351.8880       
29.57417  297.7204       29.04930  184.9243 7.864429 169.9530 8.405341 
14.97125       11.51082 
1 1 1 -1  28 17 o 26.91577 12.56027 -15.01862      16.91926  -19.72628      
23.31870  -9.785157      24.58650  31.65421 14.76277 35.71340 16.08356 
-4.059185      21.83163 
1 1 1 -1  28 18 o 41.31547 18.05076 -1.677878      28.71704  0.000000       
0.000000  -1.677878      28.71704  ?        ?        41.31547 18.05076 
0.000000       18.05076 
1 1 1 -1  28 19 o 73.39757 13.28898 59.27856       19.10442  53.73974       
26.95772  64.86698       27.07813  67.85210 18.85831 74.83507 18.01102 
-6.982964      26.07744 
1 1 1 -1  28 20 o 54.65105 16.17455 34.64972       19.24141  61.13681       
27.92798  10.71661       26.54740  70.95626 18.98344 43.35543 18.08946 
27.60083       26.22212 
1 1 1 -1  28 21 o 65.17676 13.54816 49.21119       17.37072  58.52123       
25.38281  41.01013       23.82313  68.29342 18.01672 57.32189 18.19468 
10.97153       25.60564 
1 1 1 -1  29 1  f 237.7216 3.533397 574.8345       17.08097  579.5664       
24.11174  570.0676       24.20080  238.6487 4.968416 236.6826 5.028193 
1.966141       7.068797 
1 1 1 -1  29 2  o 238.9743 3.257800 580.8761       15.83168  581.9429       
20.64165  579.3521       24.67245  239.1629 4.244234 238.5975 5.085046 
0.5653992      6.623535 
1 1 1 -1  29 3  o 291.5931 4.337512 865.1113       25.71991  885.3000       
31.73955  826.4998       43.89388  294.9268 5.292186 284.8126 7.578676 
10.11423       9.243568 
1 1 1 -1  29 4  o 301.8242 4.526330 926.9896       27.78125  918.3492       
34.10048  944.0432       47.90704  300.3521 5.583137 304.3553 7.740463 
-4.003235      9.543908 
1 1 1 -1  29 5  o 483.7964 5.598244 2383.013       55.07644  2436.992       
68.92755  2287.682       91.60065  489.0714 6.930573 473.4246 9.514727 
15.64682       11.77127 
1 1 1 -1  29 6  o 240.9420 4.015592 590.7239       19.67494  594.4003       
23.10364  581.0214       37.53328  241.6557 4.701450 238.7037 7.732252 
2.952042       9.049383 
1 1 1 -1  29 7  o 240.4095 4.051418 588.2030       19.80661  583.2968       
23.16437  601.5425       38.19601  239.3626 4.758967 242.8228 7.735301 
-3.460129      9.081996 
1 1 1 -1  29 8  o 307.3417 4.323029 961.6431       27.01848  954.8841       
38.07104  968.5017       38.35031  306.0658 6.116859 308.2403 6.118260 
-2.174500      8.651536 
1 1 1 -1  29 9  o 150.8595 5.140229 231.9020       15.76909  229.1299       
22.12306  234.7650       22.48301  149.7943 7.262707 151.6225 7.291882 
-1.828186      10.29167 
1 1 1 -1  29 10 o 154.9510 5.173817 244.7615       16.30260  231.2566       
22.80548  258.8748       23.31364  150.4048 7.456346 159.1614 7.203125 
-8.756592      10.36736 
1 1 1 -1  29 11 o 19.94076 9.900401 -37.14608      15.41308  -36.40705      
17.52578  -39.66898      32.38127  22.32711 10.98638 34.84237 16.59352 
-12.51525      19.90089 
1 1 1 -1  29 12 o 122.9385 6.879443 155.1059       17.12956  150.3876       
21.67448  162.9559       27.95720  120.6715 8.895398 125.1161 11.10365 
-4.444550      14.22741 
1 1 1 -1  29 13 o 191.0190 5.118066 372.4394       19.88079  381.3573       
27.78932  363.0899       28.45383  192.9516 7.082362 188.2029 7.434693 
4.748734       10.26813 
1 1 1 -1  29 14 o 113.3858 7.048180 132.2979       16.17082  143.3166       
22.26423  119.9949       23.52587  117.5018 9.396366 107.0418 10.96255 
10.46007       14.43846 
1 1 1 -1  29 15 o 63.08968 12.71543 43.08531       15.74972  48.63270       
22.11822  37.37939       22.43202  66.22866 16.48728 58.45160 17.50190 
7.777058       24.04469 
1 1 1 -1  29 16 o 210.0177 5.406465 451.1874       23.08983  448.5117       
32.14156  454.0409       33.19165  208.7909 7.570140 210.0072 7.772184 
-1.216354      10.84960 
1 1 1 -1  29 17 o 83.49805 10.84800 73.88002       17.98434  79.42198       
25.13565  68.06717       25.74262  85.14139 15.06913 78.08651 16.71608 
7.054878       22.50569 
1 1 1 -1  29 18 o 70.01476 14.49412 54.33066       19.95665  52.97453       
24.97473  56.72613       33.19286  68.08377 17.82812 69.76613 21.37733 
-1.682358      27.83580 
1 1 1 -1  29 19 o 36.61697 15.10592 6.520908       18.21559  3.725078       
25.56381  9.404575       25.96227  40.48872 17.35769 43.03209 17.91620 
-2.543373      24.94554 
1 1 1 -1  29 20 o 97.34778 9.994078 101.8934       19.50356  110.8646       
27.60089  92.94643       27.56355  99.07151 14.09774 89.53352 15.71211 
9.537987       21.10964 
1 1 1 -1  29 21 o 88.98405 10.01642 86.65897       17.80979  89.36067       
25.79893  84.19926       24.61636  86.65365 15.19477 84.29192 14.90639 
2.361732       21.28571 
1 1 1 -1  30 1  o 453.5275 4.524390 2093.046       41.72680  2058.320       
58.34656  2129.400       59.69785  449.5702 6.382140 457.2624 6.420100 
-7.692200      9.052590 
1 1 1 -1  30 2  o 342.3817 3.561260 1192.517       24.79509  1223.243       
32.62178  1150.483       38.15614  346.7034 4.626985 336.1682 5.581570 
10.53525       7.250029 
1 1 1 -1  30 3  o 601.9390 7.811620 3693.565       95.61919  3666.237       
133.6688  3722.205       136.8389  598.9580 10.97443 603.4628 11.15084 
-4.504822      15.64543 
1 1 1 -1  30 4  o 98.99691 6.393781 100.2463       12.80276  80.34291       
16.13628  134.0643       21.03358  88.25958 9.122250 114.2503 9.129502 
-25.99068      12.90594 
1 1 1 -1  30 5  o 92.16718 6.997373 87.08018       13.01693  76.16112       
17.14526  101.9384       20.00020  85.75730 10.02048 99.37968 10.03398 
-13.62238      14.18065 
1 1 1 -1  30 6  f 223.7878 4.039430 509.6818       18.38264  497.1074       
21.56316  543.1270       35.16703  220.9677 4.798795 230.7512 7.494460 
-9.783493      8.899178 
1 1 1 -1  30 7  o 217.1751 4.087776 480.0957       18.05297  494.3156       
21.40393  445.0446       33.60436  220.3228 4.777303 208.7760 7.915231 
11.54674       9.245188 
1 1 1 -1  30 8  o 283.3850 4.273198 817.7198       24.62529  812.5636       
34.58193  823.0239       35.07412  282.2885 6.024273 284.0932 6.071198 
-1.804749      8.552855 
1 1 1 -1  30 9  o 243.7809 4.370440 605.3438       21.66588  588.2011       
29.75477  624.6902       31.60964  240.1006 6.094133 247.4087 6.282798 
-7.308167      8.752829 
1 1 1 -1  30 10 f 119.4655 6.108881 146.0875       14.79111  147.2069       
20.94709  144.9743       20.88862  119.5214 8.677568 118.5986 8.722416 
0.9227295      12.30369 
1 1 1 -1  30 11 o 315.5944 5.316371 1016.352       34.11898  1021.966       
40.82826  1003.355       62.12136  316.2226 6.349163 312.2333 9.783862 
3.989349       11.66344 
1 1 1 -1  30 12 o 135.1773 6.540622 186.9393       17.97936  181.0122       
22.56617  197.2416       29.75127  132.4919 8.419325 137.7511 10.70492 
-5.259232      13.61912 
1 1 1 -1  30 13 o 124.0137 6.462926 157.8446       16.24219  124.6433       
22.16675  196.3353       23.86724  109.3864 10.07858 137.8923 8.553798 
-28.50594      13.21913 
1 1 1 -1  30 14 o 234.8052 4.922260 563.0469       23.50302  509.5776       
32.02024  625.5035       34.60684  222.8608 7.065444 246.9669 6.890834 
-24.10605      9.869351 
1 1 1 -1  30 15 o 200.6445 5.377977 411.7404       21.94308  386.7715       
30.10352  440.0471       32.05250  193.8906 7.635000 206.8180 7.621180 
-12.92740      10.78775 
1 1 1 -1  30 16 o 28.78642 12.95958 -6.935506      15.94712  -27.80973      
22.59730  13.77449       22.50823  28.90770 13.79323 43.88456 17.24227 
-14.97686      22.08051 
1 1 1 -1  30 17 o 47.03342 15.70045 22.99531       17.61957  -13.59290      
23.85629  66.90697       26.13499  33.75544 15.45140 77.07540 17.11989 
-43.31996      23.06157 
1 1 1 -1  30 18 o 159.9410 7.341277 264.2894       23.87716  267.0681       
30.13101  259.5990       39.14651  159.7600 9.314981 155.7839 12.46148 
3.976120       15.55819 
1 1 1 -1  30 19 o 41.13019 15.91449 14.26260       18.94447  64.32904       
27.10637  -33.54341      26.48740  73.57295 18.21453 30.34882 14.60014 
43.22413       23.34381 
1 1 1 -1  30 20 o 40.44143 15.36208 15.62143       17.43460  -19.00619      
24.33012  52.16994       24.99584  31.42908 14.79245 64.75514 18.21661 
-33.32607      23.46618 
1 1 1 -1  30 21 o 44.74084 15.37498 23.54934       16.90583  55.85183       
25.31995  -2.435641      22.70942  65.21367 18.33037 34.41594 15.48224 
30.79773       23.99380 
1 1 1 -1  31 1  o 66.47133 6.748417 45.48155       8.995472  43.19539       
12.37249  48.04520       13.10186  64.31782 9.766679 67.90461 9.769418 
-3.586792      13.81411 
1 1 1 -1  31 2  o 264.7832 4.340126 713.4949       23.36922  694.2499       
28.33540  754.4261       41.32356  261.1281 5.336104 272.0338 7.470049 
-10.90561      9.180177 
1 1 1 -1  31 3  o 588.3046 7.689408 3529.415       91.99126  3546.191       
129.9665  3512.572       130.2245  588.8439 10.85375 586.0228 10.92765 
2.821167       15.40186 
1 1 1 -1  31 4  o 270.2557 4.473148 743.4266       24.58327  729.8095       
30.19890  770.1769       42.32644  267.6919 5.547593 274.7996 7.574330 
-7.107697      9.388624 
1 1 1 -1  31 5  o 317.6091 4.711455 1027.030       30.42983  1040.533       
38.01233  1002.937       50.77570  319.5757 5.849239 313.4760 7.965264 
6.099670       9.882258 
1 1 1 -1  31 6  o 251.2626 4.003404 642.6170       20.45543  633.1652       
23.76222  669.6649       40.19711  249.3575 4.686117 256.1159 7.718037 
-6.758423      9.029274 
1 1 1 -1  31 7  o 113.6137 5.332658 131.5404       12.32043  136.1655       
14.68217  120.5318       22.65154  115.3741 6.281589 107.9204 10.45249 
7.453728       12.19479 
1 1 1 -1  31 8  o 61.06102 8.771973 38.94378       10.57936  33.09930       
13.58838  47.93882       16.85763  55.60105 12.34020 67.07857 12.82583 
-11.47752      17.79839 
1 1 1 -1  31 9  o 130.2412 5.583005 173.0515       14.78658  139.0878       
20.10723  213.0495       21.82044  116.1909 8.570485 144.1305 7.470485 
-27.93956      11.36932 
1 1 1 -1  31 10 o 174.0472 4.962504 308.9470       17.56383  297.6510       
24.52640  320.8379       25.16389  170.5676 7.071084 177.0994 6.987297 
-6.531891      9.940952 
1 1 1 -1  31 11 o 118.2711 7.601273 143.9647       18.18485  128.8409       
20.53517  198.9213       39.14510  111.5524 9.132536 137.2472 14.23254 
-25.69488      16.91060 
1 1 1 -1  31 12 o 141.2104 6.389235 204.0521       18.34708  199.8932       
22.72550  211.8368       31.09180  139.2759 8.058344 142.6504 10.79820 
-3.374527      13.47361 
1 1 1 -1  31 13 o 315.7834 4.704609 1017.864       30.21095  995.4322       
41.60362  1042.888       43.94164  311.7122 6.563355 318.9774 6.774307 
-7.265259      9.432331 
1 1 1 -1  31 14 o 160.3572 5.724270 263.1531       18.66637  293.4455       
26.22809  232.0617       26.57173  168.9114 7.635832 149.6938 8.767248 
19.21754       11.62629 
1 1 1 -1  31 15 o 214.2771 5.326802 469.7444       23.21099  481.8604       
32.74115  457.5031       32.91011  216.3887 7.440598 210.7668 7.678487 
5.621918       10.69213 
1 1 1 -1  31 16 o 159.1207 6.253827 259.8115       20.23597  216.3691       
27.88619  308.1333       29.41058  144.0324 9.575445 172.6627 8.376328 
-28.63028      12.72211 
1 1 1 -1  31 17 o 168.1130 7.974215 292.2603       27.26092  304.5232       
31.45914  255.2925       54.62126  170.9545 9.081877 151.1415 18.13362 
19.81299       20.28075 
1 1 1 -1  31 18 o 27.38881 12.84883 -16.43037      18.10122  -22.01667      
25.04647  -10.32243      26.18976  32.03415 15.05560 36.17189 16.41501 
-4.137733      22.27383 
1 1 1 -1  31 19 o 143.7952 7.348072 215.8223       21.41492  233.1225       
30.39180  198.7625       30.17986  147.7389 10.17813 135.8060 11.02328 
11.93288       15.00356 
1 1 1 -1  31 20 f 34.41333 14.33028 6.498183       16.61370  33.90857       
24.29762  -17.56882      22.76759  52.70076 18.41382 30.34679 14.29111 
22.35398       23.30890 
1 1 1 -1  32 1  o 359.1657 4.646382 1313.191       33.93604  1312.241       
57.77913  1313.691       41.93053  358.6293 7.922709 359.1216 5.741660 
-0.4923096     9.784476 
1 1 1 -1  32 2  o 163.7844 5.441156 273.2076       18.12238  270.5436       
24.26976  276.5648       27.24537  162.8733 7.327640 164.6176 8.138887 
-1.744293      10.95152 
1 1 1 -1  32 3  o 129.6405 8.871449 172.4770       23.24709  0.000000       
0.000000  172.4770       23.24709  ?        ?        129.6405 8.871449 
0.000000       8.871449 
1 1 1 -1  32 4  o 113.8376 5.566125 132.0266       12.88517  123.4932       
15.88008  148.4722       22.04537  109.7954 7.151445 120.1829 9.087496 
-10.38747      11.56398 
1 1 1 -1  32 5  o 370.4518 4.255043 1397.170       32.05436  1395.770       
37.17442  1401.228       63.29218  370.1828 4.938290 370.2925 8.405309 
-0.1097412     9.748637 
1 1 1 -1  32 6  o 161.1727 4.377725 264.5326       14.34800  248.9080       
16.69521  308.6766       28.06236  156.2872 5.253119 173.7935 7.940344 
-17.50633      9.520731 
1 1 1 -1  32 7  o 83.37810 6.744147 71.44286       11.33692  53.41764       
13.40762  116.6571       21.23483  71.58199 9.441153 106.1715 9.951455 
-34.58949      13.71739 
1 1 1 -1  32 8  o 143.9332 4.747664 211.1496       13.89608  217.3946       
16.41011  195.3218       26.12483  145.9837 5.527842 137.6413 9.389748 
8.342453       10.89607 
1 1 1 -1  32 9  o 111.6881 6.155351 127.8059       13.92616  120.1389       
19.33614  136.0690       20.07369  107.8209 8.898430 114.8380 8.659584 
-7.017151      12.41654 
1 1 1 -1  32 10 o 225.1060 5.278786 517.2255       24.16421  529.9023       
41.12638  510.5416       29.86255  227.0374 8.907825 223.4088 6.573174 
3.628571       11.07050 
1 1 1 -1  32 11 o 256.3133 5.308081 670.9143       27.66688  633.5759       
31.99327  781.6445       55.09520  248.8513 6.322187 275.1931 9.845203 
-26.34186      11.70035 
1 1 1 -1  32 12 o 235.0504 5.303612 564.4792       25.35036  524.9028       
30.84082  646.9172       44.51141  226.3348 6.700747 250.5942 8.734719 
-24.25938      11.00887 
1 1 1 -1  32 13 o 169.6766 5.452745 294.4072       18.81432  316.1205       
26.04796  270.7228       27.20465  175.4261 7.301771 161.9006 8.290918 
13.52545       11.04786 
1 1 1 -1  32 14 o 91.56001 8.563128 87.30100       15.75858  102.0545       
22.14554  72.16718       22.42915  98.25536 11.28857 81.52175 14.03611 
16.73361       18.01233 
1 1 1 -1  32 15 o 79.42769 10.41881 66.80610       16.42245  98.00977       
23.02187  34.47718       23.43330  95.87772 12.07575 56.27787 18.06454 
39.59985       21.72904 
1 1 1 -1  32 16 o 37.38463 14.76626 9.354465       16.58964  32.98593       
24.07899  -11.99865      22.88882  55.28920 18.34949 33.39693 15.22881 
21.89227       23.84577 
1 1 1 -1  32 17 o 174.5996 7.781056 315.5436       27.62697  319.9525       
32.09184  302.9232       54.29601  175.0567 9.045883 165.5442 16.34211 
9.512466       18.67867 
1 1 1 -1  32 18 o 57.98908 15.19108 38.49894       18.12799  29.70341       
25.52294  47.45326       25.75230  52.56979 18.82463 63.29167 18.70675 
-10.72188      26.53882 
1 1 1 -1  32 19 o 34.79938 14.75231 4.346704       18.10135  -2.184460      
25.40797  11.07824       25.79478  37.30164 16.60716 42.51460 17.79277 
-5.212959      24.33887 
1 1 1 -1  32 20 o 56.36763 14.77681 38.52862       17.14482  50.59832       
24.59159  27.11353       23.91543  62.37109 18.23665 48.16078 18.05911 
14.21031       25.66529 
1 1 1 -1  33 1  o 100.0966 6.802780 102.6547       13.76487  104.4234       
18.25047  100.3211       20.96317  100.6745 9.009892 98.39928 10.64618 
2.275208       13.94701 
1 1 1 -1  33 2  o 287.6042 5.328045 842.6613       31.16123  826.6706       
42.98137  860.3790       45.24281  284.6028 7.426593 290.3120 7.663605 
-5.709229      10.67170 
1 1 1 -1  33 3  o 463.8170 5.424638 2191.968       51.16451  2240.071       
63.81463  2105.392       85.61154  468.6191 6.696515 453.6417 9.280426 
14.97742       11.44420 
1 1 1 -1  33 4  o 92.83636 6.793213 88.41123       12.73558  96.61076       
17.07078  78.11904       19.12550  96.79840 8.767434 86.54729 11.12449 
10.25111       14.16411 
1 1 1 -1  33 5  o 159.8700 4.241827 260.2706       13.79023  248.8974       
16.30453  288.8543       25.84794  156.2823 5.130348 168.1385 7.559752 
-11.85611      9.136209 
1 1 1 -1  33 6  o 130.9144 4.766663 174.6406       12.68976  166.3152       
14.84146  197.2716       24.46956  127.6949 5.715467 138.5143 8.731896 
-10.81947      10.43612 
1 1 1 -1  33 7  o 142.5435 4.631093 207.0757       13.42402  200.1842       
15.75870  225.3032       25.62866  140.0819 5.532061 148.0291 8.550279 
-7.947220      10.18386 
1 1 1 -1  33 8  o 32.72931 11.95116 9.049170       10.35172  12.51618       
12.32537  0.7482831      19.07149  37.05073 13.10130 35.44805 15.08902 
1.602684       19.98306 
1 1 1 -1  33 9  o 44.55769 11.41029 21.32695       10.38384  22.79308       
12.84661  18.56376       17.63625  46.18283 13.08330 44.48962 15.67819 
1.693214       20.42005 
1 1 1 -1  33 10 o 88.16953 8.734850 80.73242       15.45515  93.16730       
25.38270  73.40615       19.48312  93.44854 13.76987 83.29179 11.83578 
10.15675       18.15750 
1 1 1 -1  33 11 o 137.3220 5.673531 192.7927       15.84327  219.8150       
22.06409  164.0293       22.76383  146.1562 7.448350 125.8471 8.953503 
20.30909       11.64659 
1 1 1 -1  33 12 o 48.95325 14.68425 25.72540       15.78023  38.38811       
26.41537  18.69883       19.67727  59.65621 19.18277 45.31692 16.48798 
14.33929       25.29490 
1 1 1 -1  33 13 o 67.05880 11.04302 48.03302       14.53466  68.17775       
19.78493  24.41475       21.42287  79.67391 12.63294 49.51556 17.29084 
30.15835       21.41411 
1 1 1 -1  33 14 o 164.0894 5.804113 275.9232       19.36725  242.3138       
26.04012  317.5294       28.97285  152.8977 8.407410 175.3709 8.124233 
-22.47316      11.69135 
1 1 1 -1  33 15 o 119.1765 7.477219 146.9910       18.02920  109.0825       
24.65339  190.5730       26.43390  101.0375 12.24930 134.9964 9.693685 
-33.95885      15.62091 
1 1 1 -1  33 16 o 112.8941 9.303876 133.5271       21.16906  153.0569       
35.62936  122.8713       26.31800  118.1999 15.17346 107.0897 12.30900 
11.11017       19.53830 
1 1 1 -1  33 17 o 151.9904 8.391331 241.0779       25.83526  235.6997       
29.75202  257.5657       52.09285  149.5663 9.836963 151.1422 17.25833 
-1.575836      19.86494 
1 1 1 -1  33 18 o 131.1572 7.458807 179.6288       19.81139  157.3161       
28.20739  201.3508       27.83147  120.4472 11.66240 137.4619 10.02552 
-17.01470      15.37929 
1 1 1 -1  33 19 o 59.16692 14.81634 41.57844       17.78728  47.12025       
25.72539  36.50225       24.62095  60.92506 18.84490 54.51092 18.55772 
6.414146       26.44843 
1 1 1 -1  33 20 o 28.19256 12.85395 -5.726382      16.29987  19.90322       
24.30519  -26.67481      21.97373  43.95954 17.70193 27.08851 13.09750 
16.87103       22.02051 
1 1 1 -1  34 1  o 290.9235 5.336879 862.5310       31.57313  892.0511       
44.31091  832.0865       44.99934  295.5528 7.372659 285.3803 7.754087 
10.17252       10.69963 
1 1 1 -1  34 2  o 86.62444 6.263073 76.93843       10.95828  82.24410       
17.72321  73.65476       13.94288  89.03291 9.959679 84.48363 8.219838 
4.549271       12.91360 
1 1 1 -1  34 3  o 103.5998 5.179562 109.3826       10.91197  116.6032       
12.90987  91.31784       20.41980  106.7586 5.970510 93.67078 10.92529 
13.08779       12.45026 
1 1 1 -1  34 4  o 160.9100 4.999691 263.8747       16.35979  247.5319       
20.81302  290.2976       26.46441  155.7158 6.572812 168.5029 7.723306 
-12.78717      10.14156 
1 1 1 -1  34 5  o 145.9193 4.416194 216.9255       13.10425  213.1507       
15.49177  226.4200       24.56899  144.5833 5.269040 148.5016 8.167272 
-3.918304      9.719419 
1 1 1 -1  34 6  f 200.8113 4.057387 410.7762       16.56861  403.2029       
19.24118  432.4994       32.58754  198.8823 4.757559 205.5392 7.796603 
-6.656891      9.133532 
1 1 1 -1  34 7  o 236.1679 3.992639 568.2418       19.17486  579.6191       
22.50408  538.0944       36.63227  238.4366 4.641271 229.1590 7.860958 
9.277618       9.128859 
1 1 1 -1  34 8  o 110.9339 5.455295 125.6500       12.30648  117.3665       
14.34654  148.7224       23.94343  106.9069 6.631906 119.7222 9.924157 
-12.81535      11.93612 
1 1 1 -1  34 9  o 127.0752 5.064401 164.8473       13.08701  162.1142       
15.38964  171.9859       24.87211  125.9148 6.010359 128.7999 9.564393 
-2.885109      11.29611 
1 1 1 -1  34 10 o 291.8970 5.279185 870.4789       31.33631  890.0357       
53.00043  859.9681       38.85513  293.8828 8.868574 289.7422 6.594551 
4.140625       11.05168 
1 1 1 -1  34 11 o 213.5632 4.785394 465.7449       20.78239  439.4844       
28.18811  497.0195       30.76172  207.0287 6.695516 220.1141 6.872445 
-13.08543      9.594812 
1 1 1 -1  34 12 o 112.8927 7.967609 131.9282       18.17391  140.6772       
30.49322  127.1084       22.63291  114.8413 13.30369 110.1727 10.21848 
4.668663       16.77514 
1 1 1 -1  34 13 o 48.44603 13.79718 25.59167       14.24784  28.89283       
19.86415  22.09378       20.44748  51.88743 16.62958 47.53762 16.86764 
4.349812       23.68671 
1 1 1 -1  34 14 o 82.46494 10.00958 71.84532       16.44153  75.71049       
22.95229  67.77158       23.56343  83.26062 14.05662 78.17767 15.36980 
5.082947       20.82832 
1 1 1 -1  34 15 o 76.96140 11.24988 63.44202       17.08655  53.20110       
23.96341  74.03323       24.36979  68.36771 17.23982 81.70601 15.22741 
-13.33829      23.00186 
1 1 1 -1  34 16 o 34.54914 14.99166 -0.4806997     19.52444  10.94289       
31.62618  -7.515650      24.81853  47.10513 19.70670 36.16478 16.23402 
10.94035       25.53229 
1 1 1 -1  34 17 o 38.81025 16.27176 6.345877       21.63312  -1.714775      
24.65553  33.30964       45.09409  37.66795 16.58424 59.39642 24.04371 
-21.72847      29.20851 
1 1 1 -1  34 18 o 70.15489 13.08174 55.59824       17.97617  58.94769       
25.94766  52.50705       24.92730  69.39946 18.17179 65.51949 18.10647 
3.879974       25.65265 
1 1 1 -1  34 19 f 79.38523 11.40777 70.71294       17.88676  69.07634       
26.07599  72.16734       24.58151  73.89935 17.60331 76.71274 16.26238 
-2.813385      23.96542 
1 1 1 -1  34 20 o 73.91856 11.55783 62.98449       16.80429  85.19368       
24.98683  44.64444       22.70624  82.65457 15.43355 57.50081 17.69117 
25.15376       23.47705 
1 1 1 -1  35 1  o 278.2691 4.350231 788.7678       24.61664  794.3843       
30.08942  777.3998       42.80759  279.1340 5.300900 275.7310 7.634556 
3.403015       9.294407 
1 1 1 -1  35 2  o 134.2514 3.894830 183.5327       10.63307  176.7779       
14.11048  192.4086       16.17490  131.6754 5.269699 137.3341 5.791774 
-5.658783      7.830350 
1 1 1 -1  35 3  o 131.8815 4.542869 177.2233       12.18331  178.5316       
14.33815  173.8253       23.10747  132.3140 5.328878 129.9380 8.796926 
2.376038       10.28508 
1 1 1 -1  35 4  o 85.69122 7.250087 75.62386       12.51520  78.58287       
16.67579  71.80777       18.93748  86.95893 9.589685 82.65723 11.58473 
4.301704       15.03888 
1 1 1 -1  35 5  o 57.20790 8.830537 34.35117       9.942220  32.15620       
11.92380  39.35858       18.00973  54.88395 11.06566 60.26139 14.80347 
-5.377434      18.48220 
1 1 1 -1  35 6  o 132.0239 4.693515 177.7383       12.60092  171.4983       
14.72891  194.7749       24.33715  129.6076 5.588415 137.4463 8.752891 
-7.838745      10.38477 
1 1 1 -1  35 7  o 76.54561 6.986071 60.48281       10.75456  52.93079       
12.67428  79.90329       20.32459  71.19996 8.951590 87.03620 11.78660 
-15.83624      14.80050 
1 1 1 -1  35 8  o 133.1576 4.921284 180.9782       13.32588  177.5343       
15.39038  191.2939       26.63626  131.7930 5.742562 135.8166 9.708256 
-4.023666      11.27951 
1 1 1 -1  35 9  o 148.3976 4.737418 224.7887       14.29618  232.8034       
16.77318  203.5040       27.33418  150.9224 5.465251 140.0204 9.658892 
10.90199       11.09789 
1 1 1 -1  35 10 o 78.37290 10.15709 64.67019       15.80703  78.49712       
17.38354  -1.355624      37.98675  86.48479 10.07304 47.71273 20.80547 
38.77206       23.11566 
1 1 1 -1  35 11 o 179.3611 5.080843 328.8597       18.53171  303.8180       
24.78395  360.6151       27.90910  171.9619 7.087397 187.2802 7.328289 
-15.31828      10.19485 
1 1 1 -1  35 12 o 45.64495 15.07196 21.60941       16.25294  79.97609       
29.28029  -4.382850      19.53956  84.37530 17.63312 33.25270 14.69569 
51.12260       22.95409 
1 1 1 -1  35 13 o 145.5142 6.086788 217.3156       18.01129  237.6869       
24.82360  194.6682       26.17362  151.4382 8.090073 136.5131 9.487335 
14.92517       12.46831 
1 1 1 -1  35 14 f 100.7940 8.315537 105.9149       16.89203  102.8437       
23.43844  109.2342       24.36645  98.02185 12.00980 101.0216 12.10204 
-2.999779      17.04977 
1 1 1 -1  35 15 o 52.13566 14.77730 30.27251       16.38432  26.58426       
23.35786  33.84501       22.98841  50.87576 18.03070 55.28688 17.90756 
-4.411114      25.41234 
1 1 1 -1  35 16 o 95.27463 11.00664 97.23383       20.93226  102.8943       
35.62187  94.24836       25.86995  93.47817 19.37574 92.26247 14.24748 
1.215698       24.05015 
1 1 1 -1  35 17 o 64.89719 16.75620 49.70376       22.26590  53.12819       
25.34665  38.12955       46.59851  66.45453 18.21438 60.43880 24.44995 
6.015732       30.48875 
1 1 1 -1  35 18 o 78.22480 12.03256 68.50931       18.52721  89.07011       
26.62097  49.19541       25.80113  86.86443 15.64605 62.37581 18.79139 
24.48862       24.45231 
1 1 1 -1  35 19 o 28.95334 13.86493 -22.85811      23.27608  -22.85811      
23.27608  0.000000       0.000000  28.95334 13.86493 ?        ?        
0.000000       13.86493 
1 1 1 -1  36 1  o 106.4454 4.724377 115.5055       10.22640  116.1008       
13.91888  114.8072       15.07482  106.4062 6.463198 105.7240 7.052227 
0.6822815      9.565921 
1 1 1 -1  36 2  o 139.9753 3.811909 199.5598       10.85039  213.2605       
14.65184  182.9216       16.14634  144.6124 4.982362 133.8494 5.932071 
10.76297       7.746831 
1 1 1 -1  36 3  o 106.5094 5.104533 115.7162       11.05594  109.5337       
13.05248  131.4166       20.80008  103.3575 6.239362 112.7458 9.151173 
-9.388313      11.07581 
1 1 1 -1  36 4  o 77.87403 7.751101 62.74382       12.11150  65.83591       
16.03311  58.63432       18.48357  79.31071 10.17579 74.18108 12.71025 
5.129631       16.28181 
1 1 1 -1  36 5  o 205.8844 3.931221 431.9243       16.45896  433.3192       
19.26420  428.1536       31.67333  206.1350 4.595659 204.3758 7.621015 
1.759232       8.899435 
1 1 1 -1  36 6  o 167.6914 4.208306 286.6866       14.35058  275.3421       
16.61084  320.0709       28.49516  164.2529 4.973101 176.5831 7.935433 
-12.33022      9.364979 
1 1 1 -1  36 7  o 153.0347 4.466294 238.9063       13.89917  227.0876       
16.05728  274.2233       27.75738  149.1022 5.295860 163.0711 8.398999 
-13.96892      9.929215 
1 1 1 -1  36 8  o 42.99883 11.64616 19.89744       10.43496  19.25713       
12.23518  21.60586       19.98528  42.69409 12.95791 47.36750 16.68996 
-4.673412      21.12966 
1 1 1 -1  36 9  o 72.54178 7.824451 54.74476       11.35961  53.86517       
13.42613  56.96073       21.31049  71.58014 9.455158 72.06836 15.02781 
-0.4882202     17.75486 
1 1 1 -1  36 10 o 71.52969 11.78498 54.82021       16.54510  54.82021       
16.54510  0.000000       0.000000  71.52969 11.78498 ?        ?        
0.000000       11.78498 
1 1 1 -1  36 11 o 126.9721 6.171928 165.3654       15.93605  143.0056       
20.95633  196.0248       24.53938  117.2213 8.856743 137.3482 8.832806 
-20.12682      12.50841 
1 1 1 -1  36 12 o 72.42844 11.87100 56.52088       16.87838  32.83051       
29.27634  68.31504       20.65686  56.48801 20.16837 79.27721 13.28332 
-22.78920      24.14974 
1 1 1 -1  36 13 o 111.9028 7.472992 129.8295       16.90762  165.7701       
23.55935  91.66015       24.27885  125.8866 9.268243 91.89031 13.38619 
33.99629       16.28160 
1 1 1 -1  36 14 o 147.3001 6.515901 223.3601       19.51771  197.8016       
27.03178  251.1958       28.21034  137.2597 9.747956 155.1122 8.982012 
-17.85251      13.25516 
1 1 1 -1  36 15 o 113.3243 8.160434 134.0516       18.67975  137.2755       
26.05471  130.6419       26.79517  113.2886 11.46760 110.1568 12.16467 
3.131836       16.71781 
1 1 1 -1  36 16 o 94.96258 11.15450 97.24571       21.13016  117.3539       
37.19240  87.66193       25.67650  99.49772 19.07605 88.23082 14.83739 
11.26690       24.16700 
1 1 1 -1  36 17 o 57.81227 16.74932 39.95311       20.82904  23.24271       
24.61021  82.14883       39.10715  47.81466 18.23041 78.38309 23.02007 
-30.56843      29.36446 
1 1 1 -1  36 18 o 61.81597 15.43688 46.54709       19.34656  90.06610       
36.12159  29.04138       22.90959  80.75012 21.58322 49.32253 17.81432 
31.42759       27.98545 
1 1 1 -1  36 19 o 56.99118 14.22886 40.19058       16.43969  21.57877       
24.11922  56.33993       22.46707  44.03505 17.66866 65.57182 16.77965 
-21.53677      24.36674 
1 1 1 -1  37 1  f 143.7386 3.984334 210.5309       11.64610  220.3690       
16.31046  200.2981       16.63445  146.9182 5.459330 140.0265 5.841804 
6.891724       7.995684 
1 1 1 -1  37 2  o 334.9450 4.056069 1143.319       27.62678  1125.261       
39.60799  1160.429       38.55367  331.8725 5.868946 337.0846 5.624388 
-5.212097      8.128854 
1 1 1 -1  37 3  o 32.09705 12.13847 7.836988       10.85490  -2.085330      
14.54942  20.29361       16.30193  29.65606 12.90499 45.09181 15.10174 
-15.43575      19.86457 
1 1 1 -1  37 4  o 37.96949 11.09199 15.21971       9.100969  16.52863       
10.98199  12.34982       16.26139  39.85839 12.31006 39.44551 14.87150 
0.4128723      19.30541 
1 1 1 -1  37 5  o 67.29388 7.417715 47.00136       9.982088  55.07936       
11.86466  27.43055       18.46748  72.76949 8.158234 50.97794 15.99954 
21.79155       17.95946 
1 1 1 -1  37 6  o 172.0567 4.702034 302.1532       16.45162  290.1750       
20.19295  325.8000       28.37204  168.4278 5.895689 178.0590 7.835655 
-9.631226      9.805949 
1 1 1 -1  37 7  o 199.8909 4.112946 407.5457       16.71851  390.5975       
19.20353  460.6131       33.98073  195.5741 4.828568 211.6145 7.896522 
-16.04039      9.255816 
1 1 1 -1  37 8  o 147.6736 4.626838 222.6816       13.89436  216.7445       
16.20963  239.1262       26.97735  145.5673 5.475927 151.9504 8.767882 
-6.383102      10.33739 
1 1 1 -1  37 9  f 36.87463 12.40983 13.50752       11.00875  14.52210       
12.99114  10.92309       20.73412  38.77856 13.46914 41.31675 16.44812 
-2.538193      21.25931 
1 1 1 -1  37 10 o 160.8393 5.666743 265.0089       18.53434  265.0089       
18.53434  0.000000       0.000000  160.8393 5.666743 ?        ?        
0.000000       5.666743 
1 1 1 -1  37 11 o 161.9255 5.814825 268.9073       19.14712  291.3868       
24.37513  232.6876       30.94045  168.1952 7.126593 148.9477 10.27797 
19.24750       12.50700 
1 1 1 -1  37 12 o 74.74606 12.05043 60.40258       17.69367  47.16022       
30.94273  66.83620       21.56768  64.24686 20.77245 77.90997 14.13366 
-13.66311      25.12479 
1 1 1 -1  37 13 o 57.26637 13.54447 36.46562       15.52565  24.92942       
20.86544  50.77575       23.23902  49.04462 17.06789 66.59126 17.07897 
-17.54663      24.14548 
1 1 1 -1  37 14 o 26.77951 12.43873 -12.68258      16.28844  18.98434       
22.91885  -45.00161      23.15363  46.19987 17.59803 25.66657 12.62924 
20.53330       21.66076 
1 1 1 -1  37 15 o 106.6835 8.437249 119.4096       18.15479  159.2805       
26.00613  81.50819       25.35572  122.2938 10.56091 85.01476 15.22579 
37.27908       18.52991 
1 1 1 -1  37 16 o 66.63955 22.16670 56.17403       35.13197  56.17403       
35.13197  0.000000       0.000000  66.63955 22.16670 ?        ?        
0.000000       22.16670 
1 1 1 -1  37 17 o 53.78598 16.42877 34.91901       19.62197  24.46249       
24.29140  54.55313       33.28623  47.73101 18.13257 64.05492 21.57878 
-16.32391      28.18571 
1 1 1 -1  37 18 o 34.05941 14.44459 5.932806       17.36555  -15.69498      
31.41584  15.44870       20.83855  35.76765 16.82672 40.62448 16.37971 
-4.856827      23.48262 
1 1 1 -1  37 19 o 60.49045 13.71286 45.36603       16.47893  76.33727       
24.23552  18.73445       22.47355  76.59687 16.07189 41.52190 16.91268 
35.07497       23.33119 
1 1 1 -1  38 1  o 151.7619 3.906158 234.7542       12.05491  232.8476       
16.86102  236.7478       17.24178  150.9636 5.492377 152.2122 5.570336 
-1.248566      7.822713 
1 1 1 -1  38 2  o 230.9699 3.865841 543.7423       18.15728  550.6888       
21.29761  525.2586       34.74111  232.3387 4.507730 226.2346 7.551502 
6.104141       8.794590 
1 1 1 -1  38 3  o 42.89202 12.05614 19.70248       10.95311  35.31083       
14.82316  0.9311764      16.25585  57.02890 13.06261 32.79379 13.94428 
24.23511       19.10693 
1 1 1 -1  38 4  o 114.6372 4.871874 134.1783       11.35725  137.3197       
13.47398  126.4691       21.10750  115.8805 5.717870 110.2651 9.506317 
5.615356       11.09343 
1 1 1 -1  38 5  o 41.81262 10.85899 18.83441       9.315502  21.98331       
11.34148  12.30508       16.33146  45.11185 12.10931 39.32420 14.88477 
5.787655       19.18832 
1 1 1 -1  38 6  o 290.8849 4.055203 863.1136       23.98751  859.6169       
27.83362  873.2082       47.29235  290.1297 4.717654 291.2316 7.985481 
-1.101898      9.274921 
1 1 1 -1  38 7  o 53.91444 9.996215 31.08014       10.55598  23.99926       
12.29262  50.96463       20.59957  46.99467 12.60353 67.92196 15.28354 
-20.92729      19.80999 
1 1 1 -1  38 8  o 127.7154 5.056333 166.7935       13.13198  157.1444       
15.39854  192.5251       25.14617  123.8036 6.116385 136.0515 9.142104 
-12.24796      10.99947 
1 1 1 -1  38 9  o 31.04874 12.02747 6.798305       10.83012  14.80961       
13.03960  -11.01860      19.44592  38.95353 13.49626 30.68644 14.00989 
8.267088       19.45317 
1 1 1 -1  38 10 o 58.47922 12.10861 37.31211       13.92545  37.31211       
13.92545  0.000000       0.000000  58.47922 12.10861 ?        ?        
0.000000       12.10861 
1 1 1 -1  38 11 o 85.63991 9.019365 77.07198       15.47122  80.50669       
19.81623  71.70996       24.75941  86.69146 11.52642 80.04060 15.77264 
6.650864       19.53547 
1 1 1 -1  38 12 o 41.40005 15.51428 15.14970       17.64477  1.508425       
30.95880  21.71280       21.47391  43.38209 18.85119 47.23145 17.21820 
-3.849358      25.53104 
1 1 1 -1  38 13 o 106.8044 7.886318 118.9169       17.00717  127.7487       
23.27501  108.7992       24.91187  109.6775 10.56642 100.2970 12.48446 
9.380516       16.35576 
1 1 1 -1  38 14 o 119.9728 7.553904 149.8587       18.33506  134.1219       
26.22770  164.9001       25.64162  111.6407 11.72806 124.7010 10.20100 
-13.06024      15.54374 
1 1 1 -1  38 15 o 59.73172 14.01697 40.61126       16.73312  19.38766       
23.68757  61.75131       23.64091  46.06884 17.80391 72.79444 16.36779 
-26.72561      24.18437 
1 1 1 -1  38 16 o 33.54656 14.18441 4.059633       16.66530  -2.613642      
24.28442  9.999947       22.91200  36.36959 16.21077 40.47138 16.83884 
-4.101791      23.37383 
1 1 1 -1  38 17 o 39.39849 15.57998 14.11232       18.48860  30.64904       
23.55179  -12.44392      29.84575  50.23249 18.07299 36.17725 16.81503 
14.05524       24.68559 
1 1 1 -1  38 18 o 59.50505 15.04594 44.75857       18.21728  75.64288       
32.86387  31.05897       21.88788  70.95377 21.17026 48.78468 17.43651 
22.16909       27.42648 
1 1 1 -1  39 1  o 110.7842 6.379812 126.1446       14.31190  0.000000       
0.000000  126.1446       14.31190  ?        ?        110.7842 6.379812 
0.000000       6.379812 
1 1 1 -1  39 2  o 109.0190 5.043225 121.4259       11.18052  127.2795       
13.25826  107.0154       20.80240  111.3688 5.875041 101.1014 10.26039 
10.26740       11.82335 
1 1 1 -1  39 3  o 90.61897 6.786436 84.70023       12.41501  83.57119       
16.45340  86.19292       18.91853  89.48756 9.171062 90.54996 10.46710 
-1.062393      13.91648 
1 1 1 -1  39 4  o 42.48021 10.49780 19.48192       9.016233  27.72505       
10.69761  -0.7346055     16.75305  50.72512 10.70705 32.35376 13.96291 
18.37136       17.59556 
1 1 1 -1  39 5  o 116.7246 4.869295 139.2229       11.55793  156.2948       
13.98148  102.3779       20.54004  123.5805 5.563550 98.72144 10.38731 
24.85905       11.78343 
1 1 1 -1  39 6  o 151.0838 4.404810 233.0867       13.53307  225.3619       
15.73398  255.0504       26.53047  148.4321 5.212658 156.9652 8.341650 
-8.533081      9.836409 
1 1 1 -1  39 7  o 353.5648 4.302704 1276.545       30.93584  1269.916       
35.68506  1296.599       62.06287  352.3875 4.979829 354.0378 8.620467 
-1.650208      9.955459 
1 1 1 -1  39 8  o 135.2438 4.895523 187.0877       13.46380  189.6335       
15.69686  180.0007       26.18978  136.0219 5.674824 131.1159 9.895467 
4.906006       11.40719 
1 1 1 -1  39 9  o 158.7766 4.753566 257.8823       15.34820  251.4302       
17.89527  275.8325       29.84847  156.5901 5.619822 162.6884 9.058145 
-6.098373      10.65985 
1 1 1 -1  39 10 o 104.6578 7.267029 113.5963       15.37020  113.5963       
15.37020  0.000000       0.000000  104.6578 7.267029 ?        ?        
0.000000       7.267029 
1 1 1 -1  39 11 o 63.88714 12.27672 44.72511       15.36999  37.22073       
20.23681  54.95530       23.62797  57.28020 16.48476 69.21365 16.92766 
-11.93346      23.62822 
1 1 1 -1  39 12 o 63.33506 10.22086 43.14697       12.71568  30.18901       
15.71632  67.70502       21.63613  51.88411 14.39162 78.05772 14.15163 
-26.17361      20.18384 
1 1 1 -1  39 13 o 134.5186 6.670703 186.8821       18.24758  199.7624       
25.39069  173.1232       26.24233  137.8850 9.106646 127.8042 10.18178 
10.08086       13.66015 
1 1 1 -1  39 14 o 95.66718 9.292804 97.06285       17.85034  103.4528       
25.32919  90.75793       25.16006  96.85822 13.20382 90.09229 14.20373 
6.765938       19.39296 
1 1 1 -1  39 15 o 74.25121 12.00512 61.11127       17.50821  114.9228       
25.21535  11.01580       24.32913  102.0307 12.40844 41.93285 17.39138 
60.09784       21.36421 
1 1 1 -1  39 16 o 32.84633 13.80832 4.787027       15.64682  -3.348413      
23.43089  11.33486       21.02069  35.12141 15.76910 39.58251 16.26632 
-4.461105      22.65519 
1 1 1 -1  39 17 o 97.04893 10.28875 104.7456       19.99541  88.28447       
24.56496  137.0675       34.42196  85.45382 14.66428 104.4108 16.78045 
-18.95695      22.28508 
1 1 1 -1  39 18 o 74.66042 13.26301 67.97979       19.39882  122.4697       
36.38316  46.33646       22.93001  91.62159 20.08184 57.17056 17.80943 
34.45103       26.84131 
1 1 1 -1  40 1  o 171.3288 3.761866 299.3625       13.10645  320.3358       
18.87429  279.8310       18.21398  176.9765 5.244496 165.3774 5.415981 
11.59906       7.539071 
1 1 1 -1  40 2  o 162.2678 4.924467 269.1305       16.24961  302.4202       
21.51669  224.9407       24.79026  171.7575 6.160392 147.4173 8.303351 
24.34024       10.33906 
1 1 1 -1  40 3  o 66.74203 6.981571 46.26218       9.335305  45.40679       
11.18992  48.22049       16.93107  65.76775 8.570520 66.59946 12.96793 
-0.8317108     15.54416 
1 1 1 -1  40 4  o 54.64410 8.641808 31.59171       9.283463  25.31605       
11.05898  46.56614       17.08286  48.25040 11.44415 65.28633 13.31844 
-17.03593      17.55988 
1 1 1 -1  40 5  o 22.53246 9.934081 -2.309718      8.876230  1.542054       
10.72782  -10.67012      15.80501  27.25585 11.44459 27.16221 12.48596 
0.9364319E-01  16.93747 
1 1 1 -1  40 6  o 178.6503 4.176117 325.9150       15.17147  334.8354       
17.76851  301.9135       29.14595  180.9473 4.828892 170.8324 8.389896 
10.11487       9.680318 
1 1 1 -1  40 7  o 150.3176 4.590534 231.0120       14.03216  226.4740       
16.31893  243.8863       27.48637  148.6777 5.397524 153.0640 8.868659 
-4.386368      10.38202 
1 1 1 -1  40 8  o 121.6012 5.254855 151.5087       12.99421  156.4407       
15.54829  140.0854       23.66299  123.2224 6.225159 115.3025 10.19719 
7.919914       11.94719 
1 1 1 -1  40 9  o 188.6996 5.013503 364.7813       19.23817  370.2012       
23.60357  354.0554       33.20443  189.7489 6.117118 184.4458 8.852701 
5.303146       10.76055 
1 1 1 -1  40 10 o 25.19283 11.20854 -3.547109      11.55306  -3.880458      
13.51263  -2.641265      22.27496  27.27329 12.12859 35.83265 15.77004 
-8.559361      19.89465 
1 1 1 -1  40 11 o 117.3794 6.201092 142.3141       14.74918  133.9910       
17.40051  163.5553       27.79772  113.4440 7.586473 123.7763 11.16400 
-10.33229      13.49776 
1 1 1 -1  40 12 o 38.35744 13.46499 14.60119       12.99958  26.17522       
15.43790  -13.60612      24.10054  48.44315 14.52249 33.46077 15.39500 
14.98237       21.16385 
1 1 1 -1  40 13 o 63.86021 12.92846 45.51936       16.21319  61.35891       
23.64613  31.46571       22.27323  72.73620 16.38062 52.85189 17.65244 
19.88431       24.08181 
1 1 1 -1  40 14 o 37.41811 14.61637 11.28646       16.09764  41.52597       
23.70281  -14.60177      21.93126  58.89585 18.06774 31.04157 14.42338 
27.85428       23.11876 
1 1 1 -1  40 15 o 121.9712 11.00571 162.5313       27.00372  162.5313       
27.00372  0.000000       0.000000  121.9712 11.00571 ?        ?        
0.000000       11.00571 
1 1 1 -1  40 16 o 31.00941 13.37140 2.309770       15.33745  16.49236       
23.63292  -8.010382      20.15963  42.57447 17.34266 30.77173 14.12904 
11.80275       22.36957 
1 1 1 -1  40 17 o 65.33086 15.12574 54.14980       19.69855  60.17554       
24.69296  43.60361       32.66744  66.20005 17.90908 54.11456 20.90949 
12.08549       27.53074 
1 1 1 -1  40 18 o 29.55940 13.39858 -1.565545      17.38578  8.929796       
32.89820  -5.632564      20.47915  39.87010 18.21036 30.25020 14.01456 
9.619896       22.97880 
1 1 1 -1  41 1  o 182.4368 3.822599 339.6154       14.18152  363.7002       
20.61007  317.9583       19.54378  188.4686 5.377606 176.2011 5.454420 
12.26749       7.659592 
1 1 1 -1  41 2  o 123.6641 5.626210 156.7002       14.14852  170.2393       
18.76299  138.8542       21.54161  128.3824 7.216226 115.3041 9.265417 
13.07830       11.74401 
1 1 1 -1  41 3  o 44.89220 9.959327 21.78449       8.854023  22.26011       
10.61116  20.69437       16.06466  45.19432 11.51354 44.79499 14.99148 
0.3993301      18.90255 
1 1 1 -1  41 4  o 77.87004 6.349555 62.69260       9.967072  57.79161       
11.68822  75.75536       19.08202  74.41335 7.842150 84.22392 11.43716 
-9.810562      13.86751 
1 1 1 -1  41 5  o 20.98880 9.570901 -5.497854      9.040974  1.603946       
11.00401  -20.25033      15.85985  27.55244 11.58118 24.09456 11.51294 
3.457884       16.33008 
1 1 1 -1  41 6  o 83.35381 6.444090 71.87279       10.83807  64.54582       
12.78597  90.57553       20.42793  78.56030 8.120686 92.21175 11.11824 
-13.65146      13.76810 
1 1 1 -1  41 7  o 67.47097 8.048037 47.79544       10.82436  39.92739       
12.78311  67.73174       20.34816  60.82987 10.72598 78.72469 13.17616 
-17.89482      16.98993 
1 1 1 -1  41 8  o 127.4663 5.216249 166.6126       13.52088  166.9621       
15.86021  165.6831       25.86632  127.3963 6.122103 125.2272 10.24719 
2.169128       11.93671 
1 1 1 -1  41 9  o 58.51453 13.67719 38.32791       15.98256  38.32791       
15.98256  0.000000       0.000000  58.51453 13.67719 ?        ?        
0.000000       13.67719 
1 1 1 -1  41 10 o 119.7991 5.938876 147.7553       14.46803  151.4414       
17.07628  138.3773       27.23747  120.8088 6.980686 113.2557 12.00973 
7.553108       13.89113 
1 1 1 -1  41 11 o 56.97416 13.09057 36.36019       14.84796  50.50252       
18.90623  13.59947       23.98488  66.86906 14.33430 43.62851 17.57918 
23.24055       22.68258 
1 1 1 -1  41 12 o 52.32047 13.12923 30.83046       13.94639  27.88103       
16.80985  37.34430       24.98118  49.70397 15.21009 56.78757 18.68259 
-7.083603      24.09120 
1 1 1 -1  41 13 o 34.15219 13.17234 9.432384       12.94618  9.845268       
16.51751  8.774736       20.84623  36.85603 14.67803 39.07688 16.14374 
-2.220852      21.81892 
1 1 1 -1  41 14 o 50.64697 14.56390 29.89670       15.80125  46.76608       
23.46764  15.90591       21.37180  61.73542 17.74761 42.49354 16.76764 
19.24187       24.41580 
1 1 1 -1  41 15 o 90.49575 9.542376 89.03526       17.29573  79.06097       
26.27763  96.65903       22.97367  80.22667 16.65222 92.24322 12.57510 
-12.01655      20.86695 
1 1 1 -1  41 16 o 20.29242 10.01613 -28.67466      14.95214  -54.66493      
22.89635  -9.349713      19.74332  22.95175 11.49847 29.59307 13.72789 
-6.641319      17.90726 
1 1 1 -1  41 17 o 59.75524 13.78130 45.05486       16.40438  55.25891       
24.86170  37.18684       21.83120  61.33297 18.43912 51.13994 17.47444 
10.19304       25.40388 
1 1 1 -1  42 1  o 84.89970 6.376628 74.50856       10.92860  98.51961       
19.00014  62.63734       13.35977  96.71449 9.795945 77.24692 8.653526 
19.46758       13.07073 
1 1 1 -1  42 2  o 195.7546 4.811053 392.1208       19.15153  419.2294       
25.46566  356.8271       29.05700  201.9837 6.199936 185.8197 7.689666 
16.16396       9.877762 
1 1 1 -1  42 3  o 122.7277 4.740731 154.1167       11.83149  156.5338       
14.05369  148.2343       21.92361  123.5338 5.594396 119.0289 9.127023 
4.504913       10.70513 
1 1 1 -1  42 4  o 147.1249 4.391815 221.3165       13.13958  224.6867       
15.62170  213.1657       24.29377  148.0783 5.187825 143.1125 8.384267 
4.965759       9.859486 
1 1 1 -1  42 5  o 136.5758 4.632913 190.8804       12.86706  187.0210       
15.10572  201.0843       24.56173  135.0106 5.502019 138.7872 8.747541 
-3.776581      10.33401 
1 1 1 -1  42 6  o 119.6222 5.021568 146.6479       12.21525  154.6669       
14.52624  127.2861       22.57169  122.6831 5.822601 109.6636 10.24012 
13.01953       11.77976 
1 1 1 -1  42 7  o 171.4675 4.465685 300.9201       15.57117  301.9389       
18.29305  298.2401       29.66898  171.5438 5.243962 168.9682 8.663814 
2.575592       10.12723 
1 1 1 -1  42 8  o 74.01060 7.953365 57.53899       11.78226  58.01399       
14.32209  56.54443       20.72414  73.72466 9.795550 70.75274 14.87595 
2.971924       17.81142 
1 1 1 -1  42 9  o 42.28022 14.98063 18.01126       16.12285  18.01126       
16.12285  0.000000       0.000000  42.28022 14.98063 ?        ?        
0.000000       14.98063 
1 1 1 -1  42 10 o 81.12363 8.125636 69.26244       13.22444  58.79991       
15.82205  93.51310       24.08830  73.68339 10.88736 92.06065 13.24872 
-18.37726      17.14827 
1 1 1 -1  42 11 o 92.63627 8.932143 90.84308       16.61776  113.4013       
21.96360  60.63967       25.41437  102.7704 10.66483 71.55499 17.58985 
31.21542       20.57040 
1 1 1 -1  42 12 o 110.7607 7.038375 127.9761       15.77065  119.2346       
18.79142  148.8003       29.00349  106.1487 8.784439 116.4905 12.43577 
-10.34185      15.22546 
1 1 1 -1  42 13 o 31.19273 13.16027 3.253124       14.29520  22.05767       
17.38923  -35.94579      25.10648  44.85786 15.58305 28.40613 13.79702 
16.45173       20.81320 
1 1 1 -1  42 14 o 65.73379 11.04072 48.23802       14.23511  40.95912       
18.06096  60.17542       23.12932  58.39051 15.09865 70.10319 16.49905 
-11.71268      22.36488 
1 1 1 -1  42 15 o 109.1603 8.666934 128.9284       19.08068  128.3129       
35.81023  129.1724       22.54803  99.37488 18.39821 107.8592 10.40947 
-8.484352      21.13885 
1 1 1 -1  42 16 o 74.44978 12.58467 66.35329       18.37364  71.20609       
24.48423  60.09770       27.79871  72.90965 16.85161 63.47313 19.58240 
9.436523       25.83500 
1 1 1 -1  42 17 o 58.00046 13.47855 43.19930       15.59475  55.04025       
24.40144  35.02384       20.27581  59.84962 18.32737 49.02190 16.83828 
10.82772       24.88816 
1 1 1 -1  43 1  o 206.1438 4.397719 434.6717       18.43526  471.6972       
33.45772  418.5299       22.09127  213.4283 7.708908 201.9814 5.378459 
11.44687       9.399738 
1 1 1 -1  43 2  o 35.19256 11.41886 12.81718       9.344190  13.90842       
11.41632  10.60231       16.26449  37.16419 12.63682 37.67416 14.69870 
-0.5099640     19.38404 
1 1 1 -1  43 3  o 165.8910 4.288504 281.4530       14.46705  285.8891       
17.27032  271.0172       26.48883  166.9956 5.085620 161.5978 8.060759 
5.397766       9.530969 
1 1 1 -1  43 4  o 30.28436 11.37295 7.526352       9.491815  12.33503       
11.30790  -3.942771      17.46362  35.69534 12.55674 31.20897 13.83775 
4.486376       18.68569 
1 1 1 -1  43 5  o 203.2191 4.134200 422.3421       17.08470  418.2931       
19.87352  433.8087       33.44387  202.0275 4.837410 204.3204 8.049213 
-2.292847      9.390973 
1 1 1 -1  43 6  o 94.07906 5.902669 91.45000       11.23536  87.46799       
13.32424  101.2481       20.90076  91.64059 7.208131 97.29843 10.74257 
-5.657845      12.93677 
1 1 1 -1  43 7  o 103.5165 5.789269 110.6455       12.13783  102.7356       
14.19498  132.1579       23.40957  99.36008 7.071564 111.3280 10.46316 
-11.96796      12.62873 
1 1 1 -1  43 8  o 89.32557 6.870326 83.08456       12.38401  87.71842       
14.83071  72.41171       22.50770  91.39995 8.061888 80.29626 14.30891 
11.10368       16.42373 
1 1 1 -1  43 9  o 170.3896 6.704655 300.6210       23.23116  300.6210       
23.23116  0.000000       0.000000  170.3896 6.704655 ?        ?        
0.000000       6.704655 
1 1 1 -1  43 10 o 48.59323 14.05340 26.74661       14.67519  27.71066       
19.42038  25.46334       22.40606  49.70490 16.47830 48.92224 17.62513 
0.7826653      24.12840 
1 1 1 -1  43 11 o 85.29401 9.892242 78.15336       16.83936  92.74953       
21.56101  55.32574       26.96372  92.02813 11.79243 67.22179 18.92348 
24.80634       22.29708 
1 1 1 -1  43 12 o 55.13749 13.13891 34.81692       14.52260  46.16785       
17.88587  12.85348       24.87966  63.12582 14.26864 42.81251 17.65710 
20.31331       22.70170 
1 1 1 -1  43 13 o 146.4744 5.970484 222.8324       17.78372  232.3525       
21.17222  200.0234       32.77166  148.9920 6.987985 134.0106 12.15797 
14.98145       14.02313 
1 1 1 -1  43 14 o 96.38080 8.019091 99.50343       15.57423  104.3292       
18.06876  85.55591       30.71803  97.94955 9.178438 80.43393 19.07025 
17.51562       21.16408 
1 1 1 -1  43 15 o 52.78581 15.19230 35.77845       17.18744  0.4993454      
32.08895  49.97134       20.35318  39.02830 17.88530 61.86831 16.04294 
-22.84001      24.02623 
1 1 1 -1  43 16 o 38.29203 15.19588 16.84047       17.64572  2.262495       
23.78394  34.68980       26.31760  34.50021 15.65120 48.12600 18.71939 
-13.62579      24.40032 
1 1 1 -1  44 1  o 94.02670 6.044114 91.40815       11.49550  88.01495       
20.42479  92.98135       13.90733  90.40008 11.36158 94.48204 7.294899 
-4.081963      13.50189 
1 1 1 -1  44 2  o 124.4883 4.894924 158.9122       12.39156  156.2418       
14.89012  164.9275       22.34828  123.1917 5.943815 125.3559 8.823210 
-2.164192      10.63851 
1 1 1 -1  44 3  o 55.56386 8.762161 32.97393       9.572394  18.32040       
11.19043  72.94167       18.48121  41.02114 12.37943 82.13748 11.36953 
-41.11634      16.80822 
1 1 1 -1  44 4  o 166.4573 4.320246 283.6772       14.62388  278.7082       
17.12643  297.0513       28.09724  164.7665 5.111478 168.8398 8.183471 
-4.073212      9.648647 
1 1 1 -1  44 5  o 80.61921 6.544024 67.58949       10.63581  72.20779       
12.65592  56.48631       19.62349  83.03857 7.578336 70.84441 14.11697 
12.19417       16.02249 
1 1 1 -1  44 6  f 44.10207 11.49812 21.57225       10.41786  20.33810       
12.56375  24.28830       18.63822  42.98581 13.14871 47.35354 16.14623 
-4.367737      20.82281 
1 1 1 -1  44 7  o 32.18479 12.11438 8.801064       10.78174  13.78841       
12.93988  -2.523549      19.49878  37.50328 13.40647 33.26693 14.69225 
4.236351       19.88959 
1 1 1 -1  44 8  o 77.65001 7.941257 63.57177       12.36311  69.88326       
14.93968  49.85860       22.02138  80.95940 9.240024 65.06955 16.59144 
15.88985       18.99089 
1 1 1 -1  44 9  f 137.1779 6.516062 194.9733       18.17694  194.9733       
18.17694  0.000000       0.000000  137.1779 6.516062 ?        ?        
0.000000       6.516062 
1 1 1 -1  44 10 o 111.7336 7.567589 130.9255       17.09324  112.6312       
22.17060  157.7376       26.84024  101.9607 10.85999 120.6878 11.05933 
-18.72709      15.49994 
1 1 1 -1  44 11 o 50.16911 14.89875 29.29602       16.30504  30.48063       
21.39881  27.65621       25.17670  51.16232 17.30140 50.12989 18.58180 
1.032429       25.38941 
1 1 1 -1  44 12 o 72.60265 10.30881 57.88520       14.79245  65.18954       
17.94511  42.39924       26.12910  76.18906 11.97776 57.89608 19.10990 
18.29299       22.55338 
1 1 1 -1  44 13 o 154.8705 5.771024 249.6657       18.17494  245.6036       
21.37035  260.2845       34.55207  152.8638 6.874731 153.0162 11.18157 
-0.1524506     13.12591 
1 1 1 -1  44 14 o 78.22755 9.651379 68.08257       15.02771  73.46116       
17.79067  54.68700       28.07623  80.13649 11.22521 61.61447 19.77288 
18.52202       22.73702 
1 1 1 -1  44 15 o 25.23635 11.42206 -2.901710      12.58079  22.34256       
17.39298  -30.60267      18.21965  41.94616 15.46484 22.55839 11.11979 
19.38776       19.04760 
1 1 1 -1  44 16 o 27.03828 12.61692 -6.596330      17.06945  -16.55041      
22.73482  6.264909       25.84237  28.17141 13.54605 35.63448 16.22293 
-7.463062      21.13478 
1 1 1 -1  45 1  o 77.84801 6.086060 62.89422       9.557985  75.35577       
13.48684  50.32045       13.54743  84.69081 7.923163 68.34766 10.04709 
16.34315       12.79533 
1 1 1 -1  45 2  o 33.28041 11.67064 10.82513       9.764577  21.26904       
11.62585  -14.18640      17.99133  43.75456 12.46389 27.80344 12.96698 
15.95112       17.98586 
1 1 1 -1  45 3  o 155.2290 4.456619 246.9945       14.06792  246.2797       
16.52230  248.8788       26.82490  154.7623 5.249937 153.9165 8.604865 
0.8457184      10.07996 
1 1 1 -1  45 4  o 95.15253 5.882782 93.73380       11.32711  95.26593       
13.38291  89.86410       21.26880  95.60220 6.930919 90.77669 11.80080 
4.825508       13.68563 
1 1 1 -1  45 5  f 82.32176 6.681136 70.66499       11.08801  69.08512       
13.13444  74.58344       20.68507  80.92574 8.089682 82.01682 12.82214 
-1.091072      15.16081 
1 1 1 -1  45 6  o 56.78950 9.644122 34.97095       10.73901  45.00129       
13.13605  14.75828       18.64742  64.29648 10.40201 40.99539 15.80969 
23.30109       18.92480 
1 1 1 -1  45 7  o 72.56129 8.083239 55.75425       11.72458  48.48423       
14.04475  72.46919       21.29604  66.60505 10.73429 80.28288 13.52516 
-13.67783      17.26717 
1 1 1 -1  45 8  o 43.57421 12.57977 21.31651       11.76816  22.65306       
14.20707  18.39474       21.00565  44.91463 14.02286 44.02272 16.82872 
0.8919106      21.90540 
1 1 1 -1  45 9  o 102.8952 6.881169 110.6374       14.31521  126.4019       
16.86230  69.95657       27.08770  109.6904 7.606555 75.92532 17.84563 
33.76508       19.39913 
1 1 1 -1  45 10 o 80.63961 10.26766 70.76944       16.45531  49.32528       
21.50452  101.0646       25.56005  63.98566 16.43926 94.35635 13.72325 
-30.37069      21.41441 
1 1 1 -1  45 11 o 58.62912 13.80298 40.25610       16.18376  3.696644       
20.78201  96.58941       25.79707  36.00028 15.54404 91.23418 14.38094 
-55.23390      21.17614 
1 1 1 -1  45 12 o 111.3089 7.183220 131.0447       16.17246  140.0877       
19.52544  111.2845       28.86291  114.2554 8.463942 96.39839 15.22961 
17.85704       17.42353 
1 1 1 -1  45 13 o 43.27403 14.10612 22.55714       14.25360  16.55690       
16.91902  37.22882       26.45640  39.43000 15.09608 52.44675 19.11282 
-13.01674      24.35552 
1 1 1 -1  45 14 f 47.43784 14.00458 28.70833       14.44053  20.91096       
16.69347  51.88919       28.78308  41.20956 15.15708 57.61737 20.04660 
-16.40781      25.13172 
1 1 1 -1  45 15 f 42.17325 14.53295 23.86402       15.10988  24.69580       
17.33311  21.23116       30.83788  42.45542 15.47048 41.81599 18.47191 
0.6394348      24.09455 
1 1 1 -1  46 1  o 42.72512 10.36504 20.19055       8.913463  21.28808       
12.58044  19.08422       12.63079  43.66080 13.11450 41.70067 13.24958 
1.960133       18.64246 
1 1 1 -1  46 2  o 28.52449 11.36565 5.181009       9.908244  -8.187487      
11.73688  38.33895       18.48440  23.10401 10.67058 57.32034 15.48992 
-34.21633      18.80954 
1 1 1 -1  46 3  o 70.43037 7.448105 52.25286       10.50552  49.40184       
12.37098  59.62616       19.89455  67.84851 9.203849 72.40823 14.01781 
-4.559715      16.76932 
1 1 1 -1  46 4  o 107.4534 5.497053 119.3625       11.97141  118.6380       
14.42156  120.9682       21.46926  106.7103 6.679555 106.1698 10.06430 
0.5404510      12.07918 
1 1 1 -1  46 5  o 103.4174 5.796805 110.8300       12.14172  122.3385       
14.61612  85.20531       21.80979  108.3479 6.666116 87.57091 12.61097 
20.77696       14.26442 
1 1 1 -1  46 6  o 46.58538 11.48609 24.36356       10.81230  33.11184       
13.22904  6.761261       18.76514  54.13185 12.29756 36.52187 15.22093 
17.60998       19.56800 
1 1 1 -1  46 7  o 85.83000 7.177585 77.34551       12.41264  64.74493       
14.87536  106.2345       22.52363  77.48347 9.649861 98.46673 11.46312 
-20.98326      14.98409 
1 1 1 -1  46 8  o 90.22265 10.15874 88.16481       18.31404  88.16481       
18.31404  0.000000       0.000000  90.22265 10.15874 ?        ?        
0.000000       10.15874 
1 1 1 -1  46 9  o 103.2007 6.981230 111.7276       14.56478  125.4266       
17.60829  82.04997       25.91720  108.8518 8.011116 83.19054 15.89976 
25.66121       17.80395 
1 1 1 -1  46 10 o 62.35007 13.59599 45.37627       16.75268  36.99278       
22.24945  56.35109       25.45691  54.62785 17.60940 66.54489 18.26007 
-11.91704      25.36772 
1 1 1 -1  46 11 o 134.9830 6.269491 190.4635       17.20929  199.5515       
20.66255  169.8834       31.09382  137.2330 7.431824 121.9636 12.72432 
15.26945       14.73568 
1 1 1 -1  46 12 o 123.5223 6.674612 161.3921       16.70352  162.6107       
19.66307  158.2329       31.65886  123.0430 7.900318 115.4239 13.75918 
7.619125       15.86600 
1 1 1 -1  46 13 o 18.22934 9.069794 -29.13282      13.21046  -31.85115      
15.55985  -22.11439      25.00195  20.06398 9.959167 29.48890 14.18605 
-9.424925      17.33289 
1 1 1 -1  46 14 o 53.69907 13.05624 36.85831       14.11912  34.87444       
16.00708  43.81165       29.96754  50.74156 14.67803 50.85450 19.92113 
-0.1129379     24.74462 
1 1 1 -1  46 15 o 24.78369 11.49267 -4.780766      13.81887  -4.407146      
15.47047  -6.255662      30.73750  26.20529 12.15479 33.42258 15.98609 
-7.217289      20.08217 
1 1 1 -1  47 1  o 63.76859 7.449066 43.02963       9.477580  42.31273       
13.30686  43.76770       13.50192  61.88380 10.97611 62.97745 10.93982 
-1.093647      15.49693 
1 1 1 -1  47 2  o 163.0946 4.599075 273.3720       15.25322  273.7671       
18.21481  272.4445       27.90669  162.8392 5.500652 160.5064 8.581052 
2.332809       10.19272 
1 1 1 -1  47 3  o 58.63478 9.154456 37.20699       10.55869  34.58288       
12.77091  42.87551       18.77003  55.50904 11.68343 60.30868 15.28528 
-4.799641      19.23908 
1 1 1 -1  47 4  o 43.48361 11.46785 21.27444       10.28593  10.27451       
12.45844  44.82721       18.23012  34.21621 12.98873 61.91921 14.69815 
-27.70300      19.61486 
1 1 1 -1  47 5  o 150.4601 4.776345 232.9712       14.61398  231.5412       
17.22014  236.6522       27.62858  149.6359 5.659126 149.0275 9.161153 
0.6084595      10.76812 
1 1 1 -1  47 6  o 64.21159 9.114964 44.55273       11.56789  51.25490       
14.00393  30.15555       20.52491  68.38113 10.39839 50.70366 16.94543 
17.67748       19.88150 
1 1 1 -1  47 7  o 61.96843 9.672812 41.91228       11.79099  27.78954       
14.28319  72.12766       20.89198  48.90480 13.77486 79.51998 13.39581 
-30.61518      19.21444 
1 1 1 -1  47 8  o 53.86928 14.98260 34.61621       17.00949  34.61621       
17.00949  0.000000       0.000000  53.86928 14.98260 ?        ?        
0.000000       14.98260 
1 1 1 -1  47 9  o 64.12872 10.89261 45.99868       13.69669  33.73838       
16.19379  76.81371       25.67317  53.06961 14.56433 79.23135 16.47152 
-26.16173      21.98706 
1 1 1 -1  47 10 o 27.14131 12.50110 -8.022305      15.95040  -31.75678      
20.62805  27.26913       25.15377  25.05639 12.24408 48.14049 18.41253 
-23.08411      22.11196 
1 1 1 -1  47 11 o 47.62294 13.89409 27.75810       14.28824  28.56980       
17.32250  26.03040       25.27236  47.72746 15.55038 46.60572 18.28345 
1.121735       24.00206 
1 1 1 -1  47 12 o 35.28848 13.56914 12.99047       13.70627  14.11094       
15.92613  9.790483       26.91431  36.86510 14.49751 39.21255 17.29263 
-2.347454      22.56575 
1 1 1 -1  47 13 o 48.92630 13.46792 31.04136       13.82297  28.25004       
15.72279  40.54317       29.00866  45.73256 14.80938 49.86098 19.57948 
-4.128418      24.54942 
1 1 1 -1  47 14 o 74.15192 9.643053 64.54465       14.19671  49.73371       
15.70875  130.5596       33.16434  61.81402 12.91330 91.69737 18.42478 
-29.88335      22.49946 
1 1 1 -1  48 1  o 207.8168 3.957384 442.9915       16.72400  447.3915       
23.96422  438.8140       23.35035  207.8929 5.668554 205.9500 5.575452 
1.942886       7.950985 
1 1 1 -1  48 2  o 80.44617 7.018570 68.09907       11.36668  70.71482       
13.82973  62.65340       19.95452  81.37135 8.482471 73.75299 13.81247 
7.618362       16.20915 
1 1 1 -1  48 3  o 34.23245 12.09779 11.84992       10.50807  19.29356       
12.60377  -5.119542      19.03014  41.47587 13.24148 31.34877 14.13096 
10.12710       19.36545 
1 1 1 -1  48 4  o 112.6694 5.547158 131.3647       12.70949  132.3854       
15.39203  129.1775       22.53129  112.4446 6.762860 109.0428 10.28244 
3.401749       12.30710 
1 1 1 -1  48 5  o 88.56779 6.842432 82.40341       12.22803  86.15071       
14.83344  74.45639       21.60156  89.95515 8.198998 80.47244 13.69069 
9.482712       15.95802 
1 1 1 -1  48 6  o 41.53930 12.36849 19.63024       11.22615  9.190265       
13.31030  45.35899       20.89525  33.75267 13.25992 60.78553 16.48706 
-27.03285      21.15771 
1 1 1 -1  48 7  o 36.79704 12.85395 14.37974       11.83959  18.86331       
14.47626  5.321913       20.57579  41.20820 14.22357 36.37814 15.58334 
4.830055       21.09859 
1 1 1 -1  48 8  o 133.0420 7.829981 188.2129       21.09026  188.2129       
21.09026  0.000000       0.000000  133.0420 7.829981 ?        ?        
0.000000       7.829981 
1 1 1 -1  48 9  o 41.09153 13.73328 19.56618       13.48109  2.235335       
15.82302  65.46156       25.74920  31.19164 13.51536 70.72137 17.89113 
-39.52972      22.42225 
1 1 1 -1  48 10 o 52.68404 14.38728 34.57640       15.84823  29.75379       
20.19615  42.30545       25.56760  48.15704 16.79006 55.14000 18.91015 
-6.982952      25.28833 
1 1 1 -1  48 11 o 42.28382 13.79618 22.18658       13.63295  28.35188       
15.96552  5.589587       26.19514  46.86097 14.89706 37.45842 16.75594 
9.402550       22.42061 
1 1 1 -1  48 12 o 32.28111 13.12227 9.614968       13.49459  12.17247       
15.71953  2.449845       26.31137  34.77806 14.15290 35.38671 16.20870 
-0.6086464     21.51806 
1 1 1 -1  48 13 o 78.17239 9.206197 70.78560       14.35419  73.95135       
16.18441  59.11535       31.07414  78.68764 10.36675 54.96162 20.58999 
23.72602       23.05248 
1 1 1 -1  48 14 o 40.72337 13.62642 23.74196       13.27227  19.45993       
14.68828  42.79330       30.98197  37.12768 14.10105 45.20459 19.23675 
-8.076908      23.85147 
1 1 1 -1  49 1  o 100.7497 5.681611 105.5976       11.59286  89.80734       
16.19095  122.2089       16.60652  91.42972 8.817634 107.4466 7.650332 
-16.01693      11.67383 
1 1 1 -1  49 2  o 109.0576 5.894847 123.8997       13.02459  140.3829       
15.73427  88.01726       23.21486  115.6984 6.716464 87.52025 13.47628 
28.17816       15.05726 
1 1 1 -1  49 3  o 26.60378 11.24796 2.043171       10.47818  3.646220       
12.48954  -1.766702      19.25433  29.52366 12.37022 32.57194 14.48173 
-3.048279      19.04581 
1 1 1 -1  49 4  o 74.15993 8.037785 58.84615       11.92750  54.17637       
14.25610  69.74227       21.77652  70.02706 10.32057 76.94742 14.44749 
-6.920357      17.75512 
1 1 1 -1  49 5  o 66.60025 9.083071 48.30234       11.98075  45.14650       
14.27733  55.81407       22.02718  63.11903 11.54894 67.23781 16.28304 
-4.118774      19.96284 
1 1 1 -1  49 6  o 40.84538 12.56035 19.18758       11.44720  11.43232       
13.82787  36.07655       20.40604  35.30520 13.61450 53.62993 16.81614 
-18.32473      21.63648 
1 1 1 -1  49 7  o 39.42625 13.13751 17.69510       12.33835  21.79590       
14.78839  8.301929       22.38166  43.09632 14.38385 38.16191 16.29760 
4.934414       21.73722 
1 1 1 -1  49 8  o 22.56047 11.01535 -25.75468      16.59559  -25.75468      
16.59559  0.000000       0.000000  22.56047 11.01535 ?        ?        
0.000000       11.01535 
1 1 1 -1  49 9  o 33.72142 14.07687 7.889423       16.08767  -8.509477      
20.90922  31.68240       25.18575  30.47246 14.13286 48.86088 18.48689 
-18.38842      23.27021 
1 1 1 -1  49 10 o 22.98997 11.01179 -15.31697      14.70122  -6.878625      
18.04153  -31.99176      25.36152  28.47477 13.17863 27.70501 13.54638 
0.7697620      18.89923 
1 1 1 -1  49 11 o 24.11079 11.18804 -6.315168      13.12776  -5.465710      
15.26097  -8.732540      25.74439  26.30216 12.15462 32.09135 15.13822 
-5.789190      19.41393 
1 1 1 -1  49 12 o 95.92702 7.561795 102.2691       14.63125  98.27755       
16.37811  118.0435       32.55890  92.66628 8.796876 85.79409 19.14762 
6.872192       21.07170 
1 1 1 -1  49 13 f 49.42259 13.03731 33.73069       13.29188  38.98581       
14.81611  12.05989       30.08710  52.48951 13.72534 35.98933 16.77933 
16.50018       21.67789 
1 1 1 -1  50 1  o 27.94265 11.23397 5.175539       9.771507  3.534650       
13.17283  7.183147       14.57065  29.88784 12.62267 33.07333 13.56136 
-3.185492      18.52680 
1 1 1 -1  50 2  o 65.93893 9.369827 47.70963       12.21050  52.21647       
14.47497  36.58984       22.73681  68.26301 10.78582 53.59925 17.83277 
14.66375       20.84086 
1 1 1 -1  50 3  o 64.26759 9.465046 45.46882       11.99949  61.87391       
14.43025  8.700974       21.60322  75.00776 9.686893 38.06495 16.12531 
36.94281       18.81120 
1 1 1 -1  50 4  o 31.59295 12.25792 8.585785       11.26308  0.4743780      
13.42013  27.91210       20.71491  28.37381 12.36963 47.88659 16.97907 
-19.51278      21.00706 
1 1 1 -1  50 5  o 23.57017 10.77770 -5.524957      11.56465  8.168711       
14.01487  -34.74533      20.47256  33.06425 13.39719 24.26865 11.92848 
8.795603       17.93804 
1 1 1 -1  50 6  o 50.35101 12.09131 29.86755       12.22448  42.50652       
14.58542  0.2800895E-01  22.41088  60.16715 12.33508 34.63471 15.49524 
25.53244       19.80547 
1 1 1 -1  50 7  o 43.19041 14.62949 22.70384       15.30004  22.70384       
15.30004  0.000000       0.000000  43.19041 14.62949 ?        ?        
0.000000       14.62949 
1 1 1 -1  50 8  o 34.32295 13.23262 11.88480       13.06064  14.04640       
15.40381  6.356460       24.63421  36.72613 14.31126 37.22645 16.47382 
-0.5003242     21.82198 
1 1 1 -1  50 9  o 40.14682 14.84487 19.82677       16.04900  34.66496       
21.17939  -0.1834738     24.59513  49.47547 17.19706 34.42171 15.73105 
15.05376       23.30675 
1 1 1 -1  50 10 o 75.65627 10.60680 67.52906       15.87003  68.14459       
19.81286  66.42718       26.50886  72.58243 13.93003 64.89491 18.92266 
7.687523       23.49708 
1 1 1 -1  50 11 o 53.77228 12.74988 37.90535       13.72993  40.49697       
16.02745  30.75947       26.61375  53.86570 14.36736 43.38426 18.10766 
10.48144       23.11512 
1 1 1 -1  50 12 f 49.33043 13.22131 34.01569       13.53249  30.10405       
15.07302  50.27099       30.72684  44.74501 14.50124 47.81321 19.65961 
-3.068199      24.42921 
1 1 1 -1  50 13 o 29.11132 12.38541 8.633026       12.83758  7.874997       
14.28761  11.80918       29.24606  29.26110 12.75961 34.10673 16.10297 
-4.845634      20.54540 
1 1 1 -1  51 1  o 41.89120 11.55626 20.47019       10.16458  18.13952       
13.76357  23.26640       15.07564  39.81401 13.86181 43.97431 14.51561 
-4.160297      20.07119 
1 1 1 -1  51 2  f 31.31237 12.42577 7.969912       11.79844  3.752585       
13.73900  19.81619       23.02648  30.16657 12.82311 43.23272 17.29307 
-13.06615      21.52864 
1 1 1 -1  51 3  o 42.73970 12.71749 21.72777       11.87153  12.67989       
14.22777  42.46308       21.53867  35.87056 13.81629 56.66247 17.19142 
-20.79191      22.05527 
1 1 1 -1  51 4  o 60.05840 10.20417 40.83429       12.01654  47.39989       
14.40801  25.83192       21.77943  63.97761 11.49714 45.83572 17.22466 
18.14189       20.70926 
1 1 1 -1  51 5  o 112.0810 6.127537 132.5438       13.91301  129.2722       
16.89844  139.4283       24.51364  109.6012 7.629511 110.6207 11.04498 
-1.019539      13.42390 
1 1 1 -1  51 6  o 23.20003 10.69648 -6.057860      11.71887  -16.64922      
13.98559  18.90633       21.47157  22.00612 10.59230 41.34172 16.64149 
-19.33560      19.72653 
1 1 1 -1  51 7  o 40.83430 14.56230 20.65898       15.25855  20.65898       
15.25855  0.000000       0.000000  40.83430 14.56230 ?        ?        
0.000000       14.56230 
1 1 1 -1  51 8  o 37.45995 13.62521 16.98289       13.43598  15.81494       
15.75062  20.10394       25.74744  37.11033 14.46855 41.43953 17.58227 
-4.329197      22.77005 
1 1 1 -1  51 9  o 82.66814 10.50342 80.87545       17.25856  101.9856       
22.80812  52.59681       26.39812  90.01601 12.82244 55.78004 19.20994 
34.23597       23.09625 
1 1 1 -1  51 10 o 53.31312 13.90845 39.36682       15.23707  23.65528       
18.18427  76.39985       27.91779  40.24100 15.58590 65.95234 19.47294 
-25.71134      24.94225 
1 1 1 -1  51 11 o 86.05031 8.122923 85.32407       14.04584  95.84127       
16.13613  52.43579       28.53449  90.17151 8.916761 49.32651 19.40309 
40.84500       21.35389 
1 1 1 -1  51 12 o 41.46019 13.64450 26.40854       13.32419  21.00130       
14.79759  49.57674       30.63018  36.69713 14.10179 44.40258 19.01683 
-7.705452      23.67489 
1 1 1 -1  52 1  o 35.86355 12.70260 14.49864       11.59123  13.51264       
13.60227  17.11336       22.15067  35.75830 13.57243 40.76556 16.71876 
-5.007263      21.53434 
1 1 1 -1  52 2  o 35.58001 12.89170 14.05612       12.01157  26.84505       
14.33757  -16.05014      21.99818  46.24059 14.02548 28.98534 13.76755 
17.25525       19.65349 
1 1 1 -1  52 3  f 28.88594 12.10352 4.750787       11.95761  7.752461       
14.44229  -1.792267      21.32281  32.37454 13.41104 32.56604 14.79127 
-0.1914978     19.96592 
1 1 1 -1  52 4  o 70.68813 9.182347 56.01886       12.88758  46.37220       
15.26171  79.99335       24.05964  61.80740 12.57060 78.45303 15.62984 
-16.64563      20.05772 
1 1 1 -1  52 5  o 111.1112 6.175100 131.2954       13.89751  136.1833       
16.82448  120.7969       24.65726  112.0854 7.423463 100.3125 12.34827 
11.77297       14.40790 
1 1 1 -1  52 6  f 37.97385 13.26893 17.72524       12.61684  12.62163       
14.82617  31.12469       24.02335  34.83366 13.89566 46.36369 17.92635 
-11.53003      22.68134 
1 1 1 -1  52 7  o 41.04559 15.36379 22.55384       17.29440  22.55384       
17.29440  0.000000       0.000000  41.04559 15.36379 ?        ?        
0.000000       15.36379 
1 1 1 -1  52 8  o 26.41401 11.83529 0.2499189      13.12720  9.967835       
15.45405  -24.93080      24.87654  32.60174 13.71516 27.43508 13.41479 
5.166660       19.18495 
1 1 1 -1  52 9  o 51.02914 16.59254 42.26942       19.72586  76.30772       
31.55887  20.44429       25.27062  60.57081 20.99569 38.29881 16.82754 
22.27200       26.90697 
1 1 1 -1  52 10 o 34.71900 13.33562 16.76529       13.22962  9.178304       
15.08537  42.03655       27.53181  30.57651 13.22270 44.47741 18.47816 
-13.90091      22.72185 
1 1 1 -1  52 11 o 25.68565 11.89828 -0.3641624     14.75397  -0.3641624     
14.75397  0.000000       0.000000  25.68565 11.89828 ?        ?        
0.000000       11.89828 
1 1 1 -1  53 1  o 75.85242 8.633379 64.28683       13.07960  73.92831       
15.47128  40.13165       24.48835  80.53677 9.638179 51.39406 18.43538 
29.14272       20.80283 
1 1 1 -1  53 2  f 41.90891 12.99739 22.19507       12.22814  23.64202       
14.50987  18.64872       22.71576  42.65383 14.24770 40.29227 16.76564 
2.361561       22.00190 
1 1 1 -1  53 3  o 92.49364 7.353207 93.31519       13.71641  87.63574       
16.41540  106.4541       24.96770  87.85044 9.331616 91.63755 13.82872 
-3.787109      16.68270 
1 1 1 -1  53 4  o 31.60256 12.50866 9.928519       11.92790  27.63554       
14.12213  -34.14565      22.28022  45.65836 13.93553 24.70701 12.20104 
20.95135       18.52200 
1 1 1 -1  53 5  o 20.26444 9.769614 -13.91427      12.01091  -22.93332      
14.33609  7.324290       21.99950  20.30457 9.980446 34.58655 15.42169 
-14.28197      18.36948 
1 1 1 -1  53 6  o 67.39637 11.68341 56.40026       15.43214  56.40026       
15.43214  0.000000       0.000000  67.39637 11.68341 ?        ?        
0.000000       11.68341 
1 1 1 -1  53 7  o 63.20284 14.55593 56.16275       18.32193  56.16275       
18.32193  0.000000       0.000000  63.20284 14.55593 ?        ?        
0.000000       14.55593 
1 1 1 -1  53 8  o 23.63474 11.25483 -9.167804      14.88915  -9.167804      
14.88915  0.000000       0.000000  23.63474 11.25483 ?        ?        
0.000000       11.25483 
1 1 1 -1  53 9  o 45.35078 15.71439 35.38293       17.67819  35.38293       
17.67819  0.000000       0.000000  45.35078 15.71439 ?        ?        
0.000000       15.71439 
1 1 1 -1  53 10 f 35.73145 13.38789 19.99721       13.13842  29.72388       
15.32341  -7.001100      25.52947  41.69732 14.62008 28.31041 13.78734 
13.38691       20.09571 
1 1 1 -1  54 1  o 30.09743 12.17884 8.571205       11.56514  8.380126       
13.59223  9.072365       22.01266  31.00947 12.94147 34.87670 15.49643 
-3.867224      20.18963 
1 1 1 -1  54 2  f 32.28366 12.49808 11.66300       11.68856  13.54891       
13.67903  6.560212       22.50082  34.18021 13.43772 34.07022 15.36092 
0.1099815      20.40907 
1 1 1 -1  54 3  o 31.10168 12.52936 9.886254       12.18170  16.86637       
14.90462  -4.157867      21.14154  36.42807 14.11015 29.92559 13.99004 
6.502476       19.87002 
1 1 1 -1  54 4  o 36.48869 13.23992 17.46961       12.67580  22.14678       
14.71988  4.049618       24.93384  39.79773 14.29120 33.62162 15.53675 
6.176117       21.10993 
1 1 1 -1  54 5  o 48.85315 14.16384 34.25525       14.89010  34.25525       
14.89010  0.000000       0.000000  48.85315 14.16384 ?        ?        
0.000000       14.16384 
1 1 1 -1  54 6  o 36.51769 14.11248 18.99099       14.88297  18.99099       
14.88297  0.000000       0.000000  36.51769 14.11248 ?        ?        
0.000000       14.11248 
1 1 1 -1  54 7  o 22.22034 10.65605 -10.16654      13.85979  -3.753407      
17.37364  -21.39137      22.98506  26.49531 12.47936 25.56577 12.58033 
0.9295387      17.72003 
1 1 1 -1  54 8  o 23.59295 10.89694 -1.438432      12.24245  -2.968845      
14.46956  2.417210       22.96673  24.53634 11.50336 29.82332 14.13699 
-5.286987      18.22585 
1 1 1 -1  54 9  o 38.98092 14.10825 26.11819       14.37971  27.83356       
17.62180  22.69947       24.87726  38.26251 15.18513 34.53247 15.79661 
3.730042       21.91166 
1 1 1 -1  55 1  o 51.90777 18.42553 50.60871       24.40125  50.60871       
24.40125  0.000000       0.000000  51.90777 18.42553 ?        ?        
0.000000       18.42553 
1 1 1 -1  55 2  o 33.64010 14.22342 13.53700       16.75608  -25.28610      
23.36072  54.67659       24.04756  25.62464 12.62347 54.35787 18.34116 
-28.73323      22.26545 
1 1 1 -1  55 3  o 119.1473 6.937978 158.2921       16.73728  170.0488       
21.49905  140.2033       26.66744  120.2568 8.853673 101.2543 13.27090 
19.00245       15.95319 
1 1 1 -1  55 4  o 22.18456 10.41728 -5.559535      11.94662  -30.90776      
14.17904  56.46966       22.18048  17.98879 9.017456 55.99265 17.52798 
-38.00385      19.71153 
1 1 1 -1  55 5  o 33.03215 13.74024 14.86966       15.25018  14.86966       
15.25018  0.000000       0.000000  33.03215 13.74024 ?        ?        
0.000000       13.74024 
1 1 1 -1  55 6  o 30.63039 13.27255 11.28871       15.26049  11.28871       
15.26049  0.000000       0.000000  30.63039 13.27255 ?        ?        
0.000000       13.27255 
1 1 1 -1  55 7  o 65.86394 11.68266 60.10673       15.07438  43.59497       
18.41739  93.61837       26.23791  47.81220 16.05152 68.39986 18.44267 
-20.58765      24.44961 
1 1 1 -1  55 8  o 33.82481 14.54626 21.37727       18.05398  25.88085       
28.36770  18.31130       23.40610  33.98368 15.98810 32.28721 14.96688 
1.696472       21.90038 
1 1 1 -1  56 1  o 23.20506 10.54121 0.6753946E-01  10.83503  13.63331       
12.77122  -34.77662      20.46799  31.67231 12.80443 21.65219 10.85096 
10.02012       16.78382 
1 1 1 -1  56 2  o 38.10354 12.64259 21.65300       11.43069  16.41154       
13.46079  35.20576       21.64504  33.36805 13.26258 41.48712 16.70556 
-8.119068      21.33007 
1 1 1 -1  56 3  o 16.46026 8.223919 -23.16973      11.35207  -13.75917      
13.64208  -44.35772      20.46999  20.62877 10.05340 20.27978 10.25009 
0.3489876      14.35741 
1 1 1 -1  56 4  o 49.84636 12.30793 36.09645       12.40138  32.30337       
14.55241  46.15804       23.70127  43.80494 14.25195 44.36583 17.60971 
-0.5608864     22.65435 
1 1 1 -1  56 5  o 27.46360 12.70739 4.760892       16.75850  4.760892       
16.75850  0.000000       0.000000  27.46360 12.70739 ?        ?        
0.000000       12.70739 
1 1 1 -1  56 6  o 24.80135 12.23489 -13.17085      22.20242  0.000000       
0.000000  -13.17085      22.20242  ?        ?        24.80135 12.23489 
0.000000       12.23489 
1 1 1 -1  56 7  o 41.15331 13.08296 28.78412       12.31379  47.92934       
14.92139  -12.09241      21.80299  53.66235 13.64352 24.36473 12.03906 
29.29762       18.19573 
1 1 1 -1  57 1  o 20.68950 10.21636 -17.33272      15.61189  -17.33272      
15.61189  0.000000       0.000000  20.68950 10.21636 ?        ?        
0.000000       10.21636 
1 1 1 -1  57 2  o 21.53193 10.11136 -2.715235      11.25779  -9.295856      
13.72590  10.81024       19.67812  21.21282 10.27950 29.45206 13.67736 
-8.239243      17.10960 
1 1 1 -1  57 3  o 22.23914 10.62906 -4.833168      13.53587  -4.833168      
13.53587  0.000000       0.000000  22.23914 10.62906 ?        ?        
0.000000       10.62906 
1 1 1 -1  57 4  o 27.50408 12.20062 9.594724       13.59095  9.594724       
13.59095  0.000000       0.000000  27.50408 12.20062 ?        ?        
0.000000       12.20062 
1 1 1 -1  57 5  o 42.21979 14.38252 34.85064       14.78864  34.85064       
14.78864  0.000000       0.000000  42.21979 14.38252 ?        ?        
0.000000       14.38252 
1 1 1 -1  57 6  o 36.50552 13.59359 26.31573       13.50427  20.34531       
17.08032  36.27071       22.05534  31.21108 13.76931 35.57870 15.67393 
-4.367628      20.86303 
1 1 1 -1  58 1  o 29.15191 12.45208 14.74875       13.07001  14.74875       
13.07001  0.000000       0.000000  29.15191 12.45208 ?        ?        
0.000000       12.45208 
1 1 1 -1  58 2  o 35.69465 13.58081 25.82291       13.63963  25.82291       
13.63963  0.000000       0.000000  35.69465 13.58081 ?        ?        
0.000000       13.58081 
1 1 1 -1  58 3  o 21.01545 10.17159 -5.620252      13.33847  -5.620252      
13.33847  0.000000       0.000000  21.01545 10.17159 ?        ?        
0.000000       10.17159 
1 1 1 -1  58 4  o 23.43610 11.04487 2.485189       13.64517  2.485189       
13.64517  0.000000       0.000000  23.43610 11.04487 ?        ?        
0.000000       11.04487 
1 1 1 0   0  1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 0   0  2  o 417.9828 5.751840 1777.724       48.86876  1777.724       
48.86876  1777.724       48.86876  417.9828 5.751840 417.9828 5.751840 
0.000000       0.000000 
1 1 1 0   0  3  o 173.2715 4.057917 305.7968       14.28050  305.7968       
14.28050  305.7968       14.28050  173.2715 4.057917 173.2715 4.057917 
0.000000       0.000000 
1 1 1 0   0  4  o 602.0884 7.670573 3689.320       93.88165  3689.320       
93.88165  3689.320       93.88165  602.0884 7.670573 602.0884 7.670573 
0.000000       0.000000 
1 1 1 0   0  5  o 239.6152 4.680310 584.5895       22.78591  584.5895       
22.78591  584.5895       22.78591  239.6152 4.680310 239.6152 4.680310 
0.000000       0.000000 
1 1 1 0   0  6  o 328.0397 7.559304 1096.916       50.36613  1096.916       
50.36613  1096.916       50.36613  328.0397 7.559304 328.0397 7.559304 
0.000000       0.000000 
1 1 1 0   0  7  f 196.5039 7.082412 394.5116       28.21773  394.5116       
28.21773  394.5116       28.21773  196.5039 7.082412 196.5039 7.082412 
0.000000       0.000000 
1 1 1 0   0  8  o 416.2919 6.224787 1764.303       52.66899  1764.303       
52.66899  1764.303       52.66899  416.2919 6.224787 416.2919 6.224787 
0.000000       0.000000 
1 1 1 0   0  9  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 0   0  10 o 1153.853 13.77045 13568.66       323.0061  13568.66       
323.0061  13568.66       323.0061  1153.853 13.77045 1153.853 13.77045 
0.000000       0.000000 
1 1 1 0   0  11 o 816.8966 10.22998 6795.564       169.8791  6795.564       
169.8791  6795.564       169.8791  816.8966 10.22998 816.8966 10.22998 
0.000000       0.000000 
1 1 1 0   0  12 o 351.9705 9.234935 1263.605       65.99564  1263.605       
65.99564  1263.605       65.99564  351.9705 9.234935 351.9705 9.234935 
0.000000       0.000000 
1 1 1 0   0  13 o 641.5955 8.629384 4193.471       112.5422  4193.471       
112.5422  4193.471       112.5422  641.5955 8.629384 641.5955 8.629384 
0.000000       0.000000 
1 1 1 0   0  14 o 168.3364 7.514970 290.2880       25.60837  290.2880       
25.60837  290.2880       25.60837  168.3364 7.514970 168.3364 7.514970 
0.000000       0.000000 
1 1 1 0   0  15 o 141.1396 8.698955 205.4565       24.74974  205.4565       
24.74974  205.4565       24.74974  141.1396 8.698955 141.1396 8.698955 
0.000000       0.000000 
1 1 1 0   0  16 o 348.1062 6.676178 1236.525       47.22050  1236.525       
47.22050  1236.525       47.22050  348.1062 6.676178 348.1062 6.676178 
0.000000       0.000000 
1 1 1 0   0  17 o 28.81447 17.56466 7.933614       19.39803  7.933614       
19.39803  7.933614       19.39803  28.81447 17.56466 28.81447 17.56466 
0.000000       0.000000 
1 1 1 0   0  18 o 87.42442 13.70648 84.36810       22.57945  84.36810       
22.57945  84.36810       22.57945  87.42442 13.70648 87.42442 13.70648 
0.000000       0.000000 
1 1 1 0   0  19 o 41.02871 23.63598 24.06576       31.68740  24.06576       
31.68740  24.06576       31.68740  41.02871 23.63598 41.02871 23.63598 
0.000000       0.000000 
1 1 1 0   0  20 o 222.2021 7.933059 508.2588       35.74234  508.2588       
35.74234  508.2588       35.74234  222.2021 7.933059 222.2021 7.933059 
0.000000       0.000000 
1 1 1 0   0  21 o 117.3992 12.33978 148.3198       28.71459  148.3198       
28.71459  148.3198       28.71459  117.3992 12.33978 117.3992 12.33978 
0.000000       0.000000 
1 1 1 0   0  22 o 37.29738 21.62422 21.74425       26.78737  21.74425       
26.78737  21.74425       26.78737  37.29738 21.62422 37.29738 21.62422 
0.000000       0.000000 
1 1 1 0   0  23 o 62.15230 22.70253 59.57149       26.44917  59.57149       
26.44917  59.57149       26.44917  62.15230 22.70253 62.15230 22.70253 
0.000000       0.000000 
1 1 1 0   0  24 o 84.00184 25.66322 112.5037       38.30101  112.5037       
38.30101  112.5037       38.30101  84.00184 25.66322 84.00184 25.66322 
0.000000       0.000000 
1 1 1 0   1  1  o ?        ?        -3.006366      0.3932179 0.000000       
0.000000  -3.006366      0.3932179 ?        ?        ?        ?        
0.000000       ?        
1 1 1 0   1  2  o 194.5403 2.806391 384.8383       11.10220  399.6076       
15.92826  370.8832       15.48298  198.2298 3.951373 190.9721 3.986880 
7.257675       5.613249 
1 1 1 0   1  3  o 172.8478 4.040003 303.8329       14.20028  0.000000       
0.000000  303.8329       14.20028  ?        ?        172.8478 4.040003 
0.000000       4.040003 
1 1 1 0   1  4  o 836.7468 7.149421 7124.216       121.6512  6976.596       
168.6951  7284.157       175.5937  827.7311 10.02217 845.7559 10.20968 
-18.02478      14.30670 
1 1 1 0   1  5  o 194.6693 3.189157 385.3980       12.62481  392.1808       
17.98385  378.8074       17.72727  196.3539 4.503931 192.9767 4.517368 
3.377136       6.379029 
1 1 1 0   1  6  o 282.1898 4.161445 810.0953       23.88014  820.2027       
29.45878  790.7248       40.78170  283.9066 5.102558 278.6474 7.197123 
5.259155       8.822396 
1 1 1 0   1  7  o 269.5392 5.144971 739.3678       28.20046  723.5441       
39.57114  755.6978       40.19923  266.5163 7.301353 272.3768 7.257652 
-5.860474      10.29482 
1 1 1 0   1  8  o 616.6490 5.669062 3869.755       71.08871  3880.466       
100.7893  3859.152       100.2819  617.2260 8.030060 615.5310 8.011635 
1.694946       11.34320 
1 1 1 0   1  9  o 840.7344 7.313232 7194.951       125.0315  7126.547       
175.2901  7265.797       178.3934  836.2645 10.30771 844.3801 10.38937 
-8.115662      14.63516 
1 1 1 0   1  10 o 604.1060 5.717105 3712.634       70.23293  3761.193       
100.4424  3666.179       98.24284  607.8765 8.125505 600.1555 8.049811 
7.720947       11.43780 
1 1 1 0   1  11 f 697.4016 6.389024 4948.502       90.60848  4947.176       
128.2763  4949.822       128.0036  697.0770 9.049286 697.2656 9.027603 
-0.1885986     12.78230 
1 1 1 0   1  12 o 370.6514 6.541359 1398.037       49.30433  1333.811       
68.19057  1468.396       71.37185  361.8839 9.266243 379.7043 9.243361 
-17.82047      13.08828 
1 1 1 0   1  13 o 630.3932 6.021795 4044.453       77.19495  4085.208       
110.1787  4005.158       108.1888  633.2530 8.555964 627.0280 8.484845 
6.224976       12.04978 
1 1 1 0   1  14 o 573.0223 5.681800 3342.655       66.20777  3410.816       
95.12328  3278.607       92.20860  578.4757 8.086308 567.1692 7.994796 
11.30652       11.37124 
1 1 1 0   1  15 o 328.7277 4.654581 1099.981       31.11489  1060.436       
43.47272  1141.515       44.55338  322.5775 6.627219 334.6916 6.546127 
-12.11404      9.315139 
1 1 1 0   1  16 o 180.9780 5.181772 333.6250       19.07021  337.4384       
27.19818  329.9373       26.74620  181.8427 7.355169 179.8138 7.314552 
2.028885       10.37310 
1 1 1 0   1  17 o 227.0087 4.895047 524.9923       22.59700  489.7271       
31.64524  561.6822       32.27813  219.0159 7.105281 234.5993 6.765973 
-15.58342      9.811391 
1 1 1 0   1  18 o 53.12026 14.02171 30.27572       15.36852  27.08677       
21.85730  33.39393       21.61349  52.22683 17.48663 56.36102 17.24690 
-4.134190      24.56090 
1 1 1 0   1  19 o 199.0072 7.726956 405.3755       31.27006  451.7011       
45.39966  363.5613       43.13247  209.1680 10.70939 187.4101 11.37152 
21.75787       15.62058 
1 1 1 0   1  20 o 220.6566 5.656276 497.0295       25.38042  470.9692       
34.88336  526.3428       36.99646  214.3684 8.002140 226.6144 8.028255 
-12.24605      11.33522 
1 1 1 0   1  21 o 41.75141 15.84931 13.58107       18.55044  20.27407       
27.25744  7.806482       25.31831  50.33928 19.18755 43.33433 17.83508 
7.004951       26.19642 
1 1 1 0   1  22 o 62.27252 14.72644 42.68258       18.35566  74.16632       
26.08173  11.78540       25.83763  82.02409 16.21136 45.07379 18.21597 
36.95031       24.38503 
1 1 1 0   1  23 o 28.71741 13.23664 -12.03876      17.92720  -6.276960      
25.16494  -17.97597      25.54512  36.90545 16.47198 33.66261 15.61553 
3.242832       22.69737 
1 1 1 0   1  24 o 91.05711 15.25374 94.11712       27.24599  84.47047       
37.27464  105.1844       39.92507  81.82985 21.94754 91.74706 21.73357 
-9.917213      30.88758 
1 1 1 0   2  0  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 0   2  1  o 401.6124 5.536952 1640.504       45.21988  1643.003       
64.06367  1638.023       63.83806  401.8523 7.839601 401.2433 7.823848 
0.6089478      11.07574 
1 1 1 0   2  2  o 273.4982 3.183694 760.6398       17.70668  791.7390       
25.57522  732.0097       24.53897  279.0175 4.507509 268.2866 4.497859 
10.73087       6.367761 
1 1 1 0   2  3  o 127.3495 2.799882 164.9142       7.250841  180.8096       
10.49193  150.3818       10.03200  133.3399 3.869403 121.6026 4.056889 
11.73725       5.606303 
1 1 1 0   2  4  o 565.1812 5.156255 3249.152       59.26162  3345.269       
85.93667  3162.000       81.83116  573.3607 7.370537 557.4432 7.218828 
15.91754       10.31680 
1 1 1 0   2  5  o 418.2192 4.221543 1779.085       35.90266  1783.345       
50.86955  1774.857       50.67904  418.6386 5.975403 417.6417 5.967234 
0.9969482      8.444721 
1 1 1 0   2  6  o 450.7572 5.173671 2067.616       47.42342  2065.363       
58.03884  2072.143       82.26107  450.4174 6.336540 450.8723 8.972002 
-0.4549561     10.98401 
1 1 1 0   2  7  o 99.43299 6.099010 101.0332       12.27265  90.17788       
17.13909  112.4564       17.58168  93.60181 9.120200 104.7143 8.325365 
-11.11246      12.34867 
1 1 1 0   2  8  o 575.2966 5.390364 3367.838       63.06106  3440.162       
90.80121  3300.452       87.64608  581.2022 7.682683 569.2915 7.570880 
11.91071       10.78619 
1 1 1 0   2  9  o 133.6179 4.378278 181.6038       11.89651  186.9980       
16.83970  176.2293       16.80876  135.5622 6.108638 131.5980 6.281087 
3.964157       8.761707 
1 1 1 0   2  10 o 527.5276 5.222919 2830.788       56.02863  2885.245       
80.53514  2779.708       77.99862  532.4543 7.437922 522.6318 7.339046 
9.822510       10.44913 
1 1 1 0   2  11 o 1007.550 8.634948 10334.27       176.9203  10171.14       
246.5795  10507.36       253.9915  998.9767 12.13808 1015.321 12.30167 
-16.34448      17.28190 
1 1 1 0   2  12 o 59.17239 16.22808 36.90531       20.11292  3.180258       
29.63774  65.69569       27.38372  45.43337 19.04702 78.60818 17.57214 
-33.17480      25.91465 
1 1 1 0   2  13 o 190.1399 5.065765 367.8445       19.58708  371.5195       
27.91543  364.2807       27.49009  191.0213 7.186395 189.1526 7.146812 
1.868713       10.13515 
1 1 1 0   2  14 o 187.9347 5.081313 359.4680       19.41933  342.0069       
27.32900  377.2761       27.59916  183.2163 7.335138 192.4464 7.052362 
-9.230103      10.17546 
1 1 1 0   2  15 o 247.9547 4.704081 625.8513       23.71911  618.3400       
33.53429  633.3713       33.55350  246.3154 6.694930 249.2980 6.618624 
-2.982529      9.414259 
1 1 1 0   2  16 o 464.0427 7.310101 2197.395       68.98152  0.000000       
0.000000  2197.395       68.98152  ?        ?        464.0427 7.310101 
0.000000       7.310101 
1 1 1 0   2  17 o 213.6879 5.064877 465.2552       22.00900  467.3920       
30.79029  463.0229       31.47174  213.9649 7.076522 212.9387 7.267997 
1.026215       10.14401 
1 1 1 0   2  18 o 110.4184 7.659598 125.2546       17.09249  139.1369       
24.05506  111.0980       24.29153  115.9444 10.31005 103.1999 11.78650 
12.74446       15.65947 
1 1 1 0   2  19 o 297.2730 6.998602 903.4835       42.30758  880.0504       
58.60923  928.9795       61.13453  292.6068 9.849862 300.5805 10.00171 
-7.973724      14.03759 
1 1 1 0   2  20 o 114.3654 8.528059 134.9184       19.69076  154.7478       
28.19024  116.0263       27.51588  121.8477 11.51350 104.9216 13.18773 
16.92614       17.50648 
1 1 1 0   2  21 o 54.20228 15.73954 31.66767       18.37438  51.28925       
25.85289  11.63887       26.11978  68.15852 18.27713 45.57134 18.35089 
22.58718       25.89997 
1 1 1 0   2  22 o 113.6010 9.117430 134.2209       20.88485  115.4608       
28.88130  154.7829       30.23657  103.6933 14.05918 120.9221 12.47555 
-17.22879      18.79628 
1 1 1 0   2  23 o 41.85212 16.00353 14.58570       18.99953  24.36723       
25.15793  1.601331       28.98558  50.22974 18.58358 42.25926 18.30175 
7.970482       26.08263 
1 1 1 0   2  24 o 40.91935 17.22460 7.594508       24.39831  30.40902       
36.69186  -10.48898      32.66670  55.53023 21.95172 40.01893 18.22697 
15.51130       28.53245 
1 1 1 0   3  1  o 189.5674 2.708600 365.4124       10.44143  344.3156       
14.47865  388.2739       15.07205  184.0063 3.869403 195.4000 3.793118 
-11.39378      5.418489 
1 1 1 0   3  2  o 264.2960 3.138360 710.3149       16.86726  757.4413       
24.65166  668.8306       23.12892  272.9074 4.442010 256.4478 4.435115 
16.45956       6.277077 
1 1 1 0   3  3  o 244.8687 3.125168 609.7355       15.56174  611.9090       
22.04966  607.5786       21.96582  245.2897 4.420498 244.4202 4.419355 
0.8694611      6.250720 
1 1 1 0   3  4  o 335.8463 3.672038 1147.080       25.07837  1094.370       
34.46187  1206.416       36.56371  328.0056 5.166615 344.3863 5.220991 
-16.38071      7.345247 
1 1 1 0   3  5  o 393.7179 4.069105 1576.717       32.57883  1567.734       
45.93506  1585.809       46.21304  392.5215 5.754788 394.7778 5.756526 
-2.256226      8.139729 
1 1 1 0   3  6  o 241.2741 3.973285 592.1914       19.49449  575.9943       
23.65888  626.4440       34.40511  237.9208 4.890017 248.0319 6.821250 
-10.11108      8.392957 
1 1 1 0   3  7  o 193.7908 4.964119 382.1676       19.56261  389.0477       
27.89160  375.5060       27.44521  195.4451 7.017737 192.0130 7.028853 
3.432098       9.932443 
1 1 1 0   3  8  o 808.9512 7.054962 6662.738       116.0562  6860.822       
168.5672  6484.227       160.0225  820.3060 10.10522 797.5262 9.866991 
22.77985       14.12349 
1 1 1 0   3  9  o 250.3598 3.842497 637.5049       19.56273  651.7948       
28.05310  623.9778       27.29426  253.1109 5.450276 247.6518 5.419740 
5.459106       7.686293 
1 1 1 0   3  10 o 302.9895 4.164745 933.6853       25.66063  945.8740       
36.58965  921.8884       35.99685  304.9169 5.900995 301.0266 5.880417 
3.890289       8.330729 
1 1 1 0   3  11 o 360.1881 4.433797 1319.531       32.47555  1338.422       
46.33533  1301.291       45.53000  362.6985 6.282247 357.6328 6.260498 
5.065735       8.869073 
1 1 1 0   3  12 o 505.3926 7.435983 2599.933       76.42205  2590.000       
108.0694  2609.870       108.0848  504.1435 10.54137 506.0779 10.50258 
-1.934357      14.88035 
1 1 1 0   3  13 o 212.0797 6.994909 457.9229       30.16703  457.9229       
30.16703  0.000000       0.000000  212.0797 6.994909 ?        ?        
0.000000       6.994909 
1 1 1 0   3  14 o 273.3379 4.657218 760.2960       25.88677  766.1735       
36.49005  754.3409       36.72997  274.2813 6.542246 272.1486 6.636867 
2.132721       9.319281 
1 1 1 0   3  15 o 268.2896 4.669432 732.7106       25.47530  750.7383       
36.14946  714.9241       35.90679  271.4180 6.549555 264.8539 6.666819 
6.564056       9.345756 
1 1 1 0   3  16 o 313.8998 4.676980 1003.352       29.85438  963.6915       
41.35758  1046.503       43.13971  307.4035 6.615992 320.3383 6.622425 
-12.93478      9.360975 
1 1 1 0   3  17 o 308.3252 4.744162 968.3757       29.74541  937.3337       
41.37925  1001.569       42.78886  303.0620 6.714284 313.2739 6.716687 
-10.21185      9.497130 
1 1 1 0   3  18 f 263.9094 4.971826 709.8560       26.68224  722.5509       
37.65308  697.0509       37.81621  265.9536 6.962147 261.1905 7.119823 
4.763092       9.958080 
1 1 1 0   3  19 o 140.0707 9.259726 202.2773       26.22646  223.4962       
36.94884  180.7315       37.23243  146.4573 12.52671 131.1242 14.18960 
15.33307       18.92784 
1 1 1 0   3  20 o 330.8114 5.216432 1116.515       35.09179  1153.432       
50.49441  1082.029       48.80334  335.6584 7.397660 325.1078 7.381944 
10.55063       10.45076 
1 1 1 0   3  21 o 67.02003 14.37477 48.76275       19.00358  75.44844       
27.04361  22.73190       26.70974  83.12081 16.58072 51.30449 19.11498 
31.81632       25.30421 
1 1 1 0   3  22 o 139.3011 7.958214 200.4650       22.44998  171.2486       
30.53932  234.8173       33.11500  127.4426 11.92255 149.7847 10.94775 
-22.34208      16.18643 
1 1 1 0   3  23 o 54.52618 17.30741 33.03909       21.55626  46.58313       
26.25954  5.054213       37.74634  63.54302 18.91588 48.36383 20.91540 
15.17920       28.20043 
1 1 1 0   3  24 o 82.75446 16.44876 79.41422       26.70553  81.10572       
37.24203  77.62380       38.31548  79.93841 22.14703 77.80446 22.76758 
2.133949       31.76246 
1 1 1 0   4  0  o 924.2471 15.50947 8696.911       291.4986  0.000000       
0.000000  8696.911       291.4986  ?        ?        924.2471 15.50947 
0.000000       15.50947 
1 1 1 0   4  1  o 497.4038 4.575506 2516.168       46.28067  2505.005       
65.21716  2527.492       65.68688  496.2423 6.462740 498.4641 6.480274 
-2.221771      9.152102 
1 1 1 0   4  2  o 897.3176 7.566942 8192.238       138.0759  8288.912       
197.4565  8099.734       193.1524  902.2900 10.76153 891.9465 10.64902 
10.34351       15.13975 
1 1 1 0   4  3  o 516.6990 4.781149 2715.350       50.23673  2653.818       
69.77752  2781.567       72.38514  510.7370 6.718415 522.8813 6.807613 
-12.14438      9.564554 
1 1 1 0   4  4  o 376.6546 3.911898 1442.833       29.96279  1442.058       
42.35080  1443.610       42.39680  376.5065 5.531433 376.7089 5.534467 
-0.2023926     7.824773 
1 1 1 0   4  5  o 459.3872 4.484575 2146.771       41.89398  2286.158       
62.05968  2030.070       56.78512  473.9469 6.439149 446.6263 6.252286 
27.32062       8.975173 
1 1 1 0   4  6  o 65.27502 5.967944 43.73502       7.834134  50.52020       
9.706327  31.05408       13.26936  70.09718 6.898685 54.06147 12.34170 
16.03571       14.13893 
1 1 1 0   4  7  o 105.5915 6.108664 113.8879       13.06073  110.8302       
18.39277  116.9979       18.54956  103.8993 8.787677 106.7905 8.615118 
-2.891190      12.30624 
1 1 1 0   4  8  o 576.0356 5.397825 3376.441       63.22947  3407.847       
90.14205  3346.023       88.71499  578.4792 7.662814 573.2140 7.610773 
5.265198       10.80012 
1 1 1 0   4  9  o 722.2130 6.462208 5307.895       94.90686  5297.904       
134.0555  5317.935       134.3822  721.2252 9.140340 722.5867 9.145352 
-1.361450      12.92994 
1 1 1 0   4  10 o 382.1028 4.434665 1484.984       34.45818  1460.740       
48.35299  1510.001       49.11848  378.9096 6.275327 385.2458 6.269827 
-6.336243      8.870765 
1 1 1 0   4  11 o 378.2455 4.505466 1455.173       34.65492  1454.892       
49.09097  1455.451       48.92835  378.1451 6.383983 378.2187 6.361597 
-0.7357788E-01 9.012499 
1 1 1 0   4  12 o 149.4827 7.971485 228.1381       24.14408  295.2128       
35.56798  170.8185       32.87999  169.8960 10.34422 128.7810 12.72164 
41.11501       16.39643 
1 1 1 0   4  13 o 517.5500 6.158293 2726.336       64.81329  2749.144       
80.06820  2682.984       110.3857  519.5711 7.578158 512.8965 10.58356 
6.674622       13.01692 
1 1 1 0   4  14 o 365.9267 4.730601 1362.669       35.20155  1346.099       
49.41380  1379.742       50.15959  363.5364 6.684192 368.0497 6.701872 
-4.513245      9.465384 
1 1 1 0   4  15 o 341.1410 4.670827 1184.679       32.40255  1202.697       
46.22538  1167.273       45.43313  343.5220 6.617203 338.4270 6.601707 
5.095032       9.347187 
1 1 1 0   4  16 o 370.1404 4.794582 1395.231       36.08849  1461.001       
51.96957  1333.979       50.15257  378.4680 6.752560 361.6303 6.819884 
16.83777       9.597285 
1 1 1 0   4  17 f 84.01477 8.994262 73.05927       15.12768  49.06855       
20.82565  99.85887       22.01107  67.49164 15.50056 97.96434 11.25327 
-30.47270      19.15473 
1 1 1 0   4  18 o 129.4842 6.793031 171.7073       17.82434  132.8073       
24.26710  217.2806       26.26629  113.1736 10.67034 145.3498 8.929774 
-32.17619      13.91391 
1 1 1 0   4  19 o 177.1294 7.924016 321.2969       28.54220  336.0648       
41.14703  307.6010       39.62549  180.1581 11.28839 172.3063 11.37291 
7.851807       16.02407 
1 1 1 0   4  20 o 107.2334 8.822412 118.8432       19.06773  154.3371       
27.44057  85.70360       26.51492  121.7485 11.20943 89.39684 15.12480 
32.35166       18.82581 
1 1 1 0   4  21 o 230.6975 5.821228 543.9151       27.30920  517.9863       
38.27583  570.8008       38.97575  224.5166 8.383490 235.7589 8.129710 
-11.24229      11.67797 
1 1 1 0   4  22 o 115.7975 8.765219 139.2466       20.48724  141.1305       
29.15359  137.4086       28.79639  115.3127 12.63978 113.7563 12.66325 
1.556465       17.89196 
1 1 1 0   4  23 o 76.62521 14.81409 65.43983       22.24824  62.80944       
26.79543  71.27812       39.92022  73.70343 18.02715 76.46297 23.44618 
-2.759537      29.57535 
1 1 1 0   4  24 o 55.43950 18.50499 35.56702       24.47646  59.87785       
35.63105  13.84428       33.68107  68.93351 22.29095 48.06239 20.23491 
20.87112       30.10545 
1 1 1 0   5  1  o 379.3723 3.782624 1463.603       29.18167  1429.001       
40.61257  1500.536       41.95858  374.8310 5.328115 384.0974 5.371902 
-9.266357      7.566117 
1 1 1 0   5  2  o 224.9528 2.966579 514.5769       13.57059  491.5495       
18.84046  539.4053       19.56338  219.8500 4.214185 230.3039 4.177256 
-10.45389      5.933702 
1 1 1 0   5  3  o 405.7006 4.038262 1673.898       33.31590  1671.057       
47.09060  1676.745       47.14104  405.3111 5.713396 406.0004 5.709805 
-0.6893005     8.077423 
1 1 1 0   5  4  o 257.5106 4.655337 674.4876       24.37797  0.000000       
0.000000  674.4876       24.37797  ?        ?        257.5106 4.655337 
0.000000       4.655337 
1 1 1 0   5  5  o 483.5102 4.643195 2378.310       45.65348  2454.133       
66.13775  2309.298       63.09707  491.0193 6.623681 476.3184 6.514190 
14.70090       9.290200 
1 1 1 0   5  6  o 90.45182 4.868384 83.49496       8.921791  84.64851       
10.92230  81.18199       15.46608  90.99555 5.935087 88.82202 8.673328 
2.173531       10.50961 
1 1 1 0   5  7  o 354.7944 5.677962 1281.282       40.96573  1250.482       
57.09473  1313.964       58.81201  350.3161 8.014649 359.0944 8.053895 
-8.778259      11.36221 
1 1 1 0   5  8  o 283.6411 3.802833 818.3224       21.93451  852.8392       
31.60372  786.2426       30.46761  289.5068 5.368191 277.9727 5.389952 
11.53412       7.607172 
1 1 1 0   5  9  o 430.3379 4.556563 1883.743       39.87478  1899.686       
56.62595  1868.061       56.15985  432.0650 6.444882 428.4535 6.445712 
3.611572       9.115026 
1 1 1 0   5  10 o 386.1526 4.445926 1516.632       34.91183  1499.731       
49.00694  1534.047       49.74694  383.9333 6.276976 388.2999 6.300103 
-4.366638      8.893353 
1 1 1 0   5  11 o 530.8270 5.300992 2866.368       57.22180  2987.877       
83.47437  2758.652       78.59369  541.8284 7.575999 520.6397 7.423333 
21.18872       10.60668 
1 1 1 0   5  12 o 407.2946 6.751268 1688.313       55.91720  1699.863       
79.42590  1676.962       78.73635  408.4897 9.561579 405.7303 9.543034 
2.759430       13.50901 
1 1 1 0   5  13 f 129.5888 7.152514 171.5147       18.77556  168.3378       
23.09549  177.7061       32.24220  128.2192 8.913132 131.3672 12.20909 
-3.147995      15.11641 
1 1 1 0   5  14 o 82.32960 9.074708 69.97729       14.94050  61.60265       
20.84347  78.82716       21.42671  76.37464 13.93395 86.90837 12.48218 
-10.53373      18.70721 
1 1 1 0   5  15 o 265.7299 4.633326 718.8118       25.03714  760.5502       
36.22491  680.6376       34.64372  273.1779 6.520943 258.4213 6.592417 
14.75656       9.272683 
1 1 1 0   5  16 o 144.9090 5.799681 214.0128       17.09034  216.2795       
24.23193  211.7692       24.10734  145.2698 8.236673 143.7355 8.282787 
1.534241       11.68107 
1 1 1 0   5  17 o 209.8060 4.976337 448.5007       21.23142  486.1320       
30.79826  414.4215       29.30863  218.2158 6.940465 201.4537 7.154329 
16.76208       9.967672 
1 1 1 0   5  18 o 125.9940 7.074322 162.7116       18.05200  162.0476       
25.08213  163.4252       26.00145  125.2518 9.928926 125.7195 10.25999 
-0.4677048     14.27764 
1 1 1 0   5  19 f 267.1036 7.043486 729.5611       38.25769  700.9103       
54.39078  757.6165       53.82278  260.9772 10.24876 271.4836 9.749247 
-10.50644      14.14514 
1 1 1 0   5  20 o 214.4411 5.869610 469.6202       25.59580  467.4720       
35.20351  472.0296       37.28168  213.5253 8.107466 214.4638 8.548503 
-0.9384613     11.78168 
1 1 1 0   5  21 o 93.09206 10.60169 90.72881       19.71163  86.81914       
28.20857  94.45962       27.55580  89.42264 16.10483 93.74419 14.95772 
-4.321548      21.97952 
1 1 1 0   5  22 o 52.63228 15.97157 30.04706       18.58924  8.721467       
26.07076  52.10253       26.51315  43.78706 18.06879 67.99346 18.62574 
-24.20641      25.94994 
1 1 1 0   5  23 o 81.74335 13.99069 73.68456       22.42026  67.84146       
26.44754  88.60871       42.26770  76.89403 17.32882 84.71616 23.63811 
-7.822136      29.30953 
1 1 1 0   5  24 f 42.64228 17.57762 11.47576       24.64009  1.675995       
34.12877  22.14533       35.61118  44.20525 19.48474 51.80939 21.21749 
-7.604149      28.80689 
1 1 1 0   6  0  o 336.6882 4.951065 1152.761       33.89831  1186.114       
48.82148  1121.715       47.10356  341.4994 7.030230 332.1001 6.974824 
9.399323       9.903146 
1 1 1 0   6  1  o 818.9975 6.960048 6823.949       115.9168  6804.015       
133.5199  6884.950       233.5703  817.7228 8.029495 821.9360 13.97424 
-4.213196      16.11683 
1 1 1 0   6  2  o 379.0179 3.829463 1460.905       29.51543  1423.104       
41.00386  1501.552       42.51963  374.0481 5.390708 384.2180 5.442023 
-10.16986      7.659984 
1 1 1 0   6  3  o 292.8727 3.382794 872.2715       20.14680  893.6877       
28.87681  851.9604       28.12193  296.4215 4.790580 289.4189 4.778228 
7.002625       6.766175 
1 1 1 0   6  4  o 233.0642 3.194399 552.4039       15.13966  528.1837       
21.03562  578.4322       21.80660  227.8750 4.539492 238.4690 4.496811 
-10.59406      6.389702 
1 1 1 0   6  5  o 225.8800 3.293180 518.9252       15.12672  502.5694       
21.17139  535.9821       21.62049  222.2584 4.684247 229.5293 4.632081 
-7.270920      6.587741 
1 1 1 0   6  6  o 530.4924 5.781487 2864.751       62.36920  2801.077       
75.03883  3007.025       112.1678  524.4164 7.036527 542.8446 10.16111 
-18.42816      12.35965 
1 1 1 0   6  7  o 436.5996 6.306850 1940.668       55.99475  1984.362       
80.53105  1899.770       77.91100  441.1942 8.975985 431.7007 8.874923 
9.493561       12.62270 
1 1 1 0   6  8  o 289.4818 3.831264 852.3665       22.55354  894.6003       
32.71469  814.1129       31.13495  296.5110 5.425635 282.8586 5.412868 
13.65240       7.663984 
1 1 1 0   6  9  o 650.3077 5.964701 4302.910       78.87856  4458.417       
115.0223  4164.854       108.3764  661.7114 8.547951 639.5781 8.332774 
22.13330       11.93744 
1 1 1 0   6  10 o 602.2857 5.692798 3690.259       69.72359  3785.003       
100.6553  3602.863       96.67324  609.8013 8.117029 594.9581 7.990399 
14.84320       11.39002 
1 1 1 0   6  11 o 275.5339 4.266378 772.1588       23.90484  824.9502       
34.76210  724.7977       32.92570  284.7538 6.003232 266.9077 6.066279 
17.84601       8.534550 
1 1 1 0   6  12 o 206.3027 6.845534 433.1807       28.71863  429.0454       
40.04956  437.5578       41.20357  205.2158 9.597000 207.2338 9.777386 
-2.018005      13.70035 
1 1 1 0   6  13 o 113.4565 7.879658 131.7478       18.06701  145.1782       
22.54562  107.6454       30.20275  118.9714 9.395435 101.4721 15.09677 
17.49924       17.78164 
1 1 1 0   6  14 o 170.9562 5.330498 297.5099       18.53123  310.8965       
26.01469  283.7197       26.40387  174.6691 7.324049 166.8364 7.782614 
7.832687       10.68694 
1 1 1 0   6  15 o 90.37782 8.273715 84.06219       15.03721  89.57059       
21.81017  79.07134       20.76031  92.76006 11.83183 87.02312 12.05512 
5.736931       16.89137 
1 1 1 0   6  16 o 231.1462 4.809872 544.1469       22.60850  544.3902       
31.92953  543.9023       32.01713  231.0069 6.796984 230.9009 6.818759 
0.1060028      9.627796 
1 1 1 0   6  17 o 199.8960 5.104314 407.1909       20.74880  413.0121       
29.51851  401.5060       29.17104  201.0959 7.218379 198.2730 7.234972 
2.822952       10.22007 
1 1 1 0   6  18 o 123.6348 7.119789 156.7226       17.82458  158.2865       
25.25065  155.1692       25.16511  123.7324 10.12413 122.4854 10.19592 
1.246971       14.36854 
1 1 1 0   6  19 o 149.5304 8.793731 230.1699       26.62185  224.8307       
38.07338  235.2775       37.23846  146.7516 12.88872 150.3204 12.28959 
-3.568832      17.80879 
1 1 1 0   6  20 o 48.64388 15.71006 24.28293       17.70234  16.57729       
24.29777  33.00011       25.84343  47.01730 18.06954 56.89440 19.01459 
-9.877102      26.23095 
1 1 1 0   6  21 o 48.97279 16.16327 24.50742       18.69259  32.40799       
26.51311  16.69890       26.35819  56.47798 19.25747 48.02854 18.71924 
8.449440       26.85629 
1 1 1 0   6  22 o 138.0770 7.693199 196.8950       21.51548  195.5449       
29.70335  198.3854       31.20730  136.5935 10.78125 137.4010 11.26818 
-0.8074951     15.59510 
1 1 1 0   6  23 o 96.07494 11.68930 99.13316       22.36694  107.4590       
27.13828  81.49915       39.49511  99.06626 13.84985 81.50998 22.88731 
17.55628       26.75159 
1 1 1 0   7  1  o 733.2609 5.647825 5469.047       84.21534  5388.514       
107.3053  5598.205       135.8917  727.7480 7.250846 741.6403 9.010486 
-13.89221      11.56562 
1 1 1 0   7  2  o 441.1733 4.234504 1979.453       37.98947  2003.003       
54.21975  1956.743       53.24398  443.7355 6.008719 438.5828 5.969906 
5.152679       8.470212 
1 1 1 0   7  3  o 528.5536 4.872833 2841.593       52.37475  2787.033       
72.89197  2899.826       75.30514  523.3593 6.849018 533.8395 6.936852 
-10.48022      9.748280 
1 1 1 0   7  4  o 141.4945 3.077640 203.6045       8.855414  217.8452       
12.73136  190.2575       12.32540  146.3456 4.278029 136.7636 4.431788 
9.582001       6.159731 
1 1 1 0   7  5  o 206.7778 3.257024 434.8761       13.69545  440.6651       
19.44351  429.1759       19.29393  208.1173 4.594256 205.3856 4.619546 
2.731674       6.515167 
1 1 1 0   7  6  o 367.7736 4.634699 1376.310       34.66199  1395.354       
42.75485  1339.790       59.20662  370.2381 5.678751 362.5830 8.029923 
7.655090       9.835033 
1 1 1 0   7  7  o 133.2462 5.471245 180.6944       14.82492  183.6344       
21.17029  177.8653       20.76674  134.0339 7.800870 131.9066 7.776346 
2.127243       11.01477 
1 1 1 0   7  8  o 263.1122 3.767545 704.1356       20.15816  702.3528       
28.40340  705.9449       28.61365  262.7332 5.316233 263.4033 5.341959 
-0.6701050     7.536502 
1 1 1 0   7  9  o 767.9295 6.790821 6001.343       106.0462  6104.286       
152.2920  5904.442       147.7548  774.1355 9.674060 761.3764 9.543128 
12.75909       13.58892 
1 1 1 0   7  10 o 707.1191 6.402879 5087.432       92.07024  5357.501       
136.1063  4859.590       125.0137  725.3829 9.226978 690.8873 8.898137 
34.49561       12.81850 
1 1 1 0   7  11 o 51.58070 11.82402 28.20468       12.13732  38.01623       
16.82854  17.56787       17.52199  59.84907 14.06522 44.37768 15.62855 
15.47139       21.02574 
1 1 1 0   7  12 f 424.5920 5.621674 1834.300       48.53879  1805.944       
58.91871  1894.196       85.63015  421.2238 6.878423 431.1628 9.766389 
-9.938904      11.94550 
1 1 1 0   7  13 o 308.7212 5.296799 969.8900       33.25304  984.1001       
41.42482  944.1414       55.76192  310.9047 6.552121 304.3516 9.009708 
6.553101       11.14025 
1 1 1 0   7  14 o 51.15468 13.71528 27.73965       14.55939  24.07285       
20.73003  31.30907       20.45294  50.20258 17.02864 55.04476 16.76411 
-4.842182      23.89582 
1 1 1 0   7  15 o 228.4060 4.777845 531.1431       22.19172  593.0023       
32.14872  474.8398       30.67108  241.1997 6.554438 215.7984 6.989233 
25.40134       9.581756 
1 1 1 0   7  16 o 196.3071 5.026899 392.5537       20.06723  423.0478       
29.43266  366.0651       27.43160  203.6006 7.108845 189.3914 7.122612 
14.20912       10.06316 
1 1 1 0   7  17 o 238.3960 4.919738 579.0768       23.85022  563.3338       
33.51072  595.2374       33.95222  234.8772 7.016029 241.4514 6.914917 
-6.574188      9.850925 
1 1 1 0   7  18 o 53.12461 14.39048 30.27930       15.93104  55.87289       
21.66514  0.1484734      23.50723  71.97486 15.27498 39.02331 16.68486 
32.95155       22.62100 
1 1 1 0   7  19 o 287.8189 5.948510 845.8300       34.81600  765.9276       
56.66322  894.2917       44.12867  272.7758 10.21513 295.6258 7.340525 
-22.84995      12.57904 
1 1 1 0   7  20 o 148.4446 7.054146 225.5188       21.29416  194.7623       
30.45936  254.9208       29.78106  136.8874 11.03600 157.1682 9.360435 
-20.28075      14.47104 
1 1 1 0   7  21 o 136.3592 7.911933 191.5742       21.84477  194.0809       
31.82658  189.3414       30.03734  136.2372 11.59835 134.7207 11.06182 
1.516556       16.02765 
1 1 1 0   7  22 o 144.4541 7.439584 215.3004       21.77974  195.3950       
30.53327  235.9201       31.07633  136.3720 11.10672 150.2797 10.22987 
-13.90767      15.09998 
1 1 1 0   7  23 o 79.27331 14.32531 69.82764       22.24318  71.23956       
26.48568  66.44856       40.97358  78.82874 17.02073 73.59097 23.91297 
5.237778       29.35192 
1 1 1 0   8  0  o 609.5259 7.624775 3778.952       94.50845  3953.122       
138.9044  3628.828       128.9593  623.2875 10.95913 597.1891 10.61914 
26.09839       15.26003 
1 1 1 0   8  1  o 519.3156 4.749287 2742.938       50.15465  2797.450       
72.12684  2691.901       69.78966  524.3686 6.764081 514.3855 6.671921 
9.983093       9.500912 
1 1 1 0   8  2  o 420.1225 4.103994 1795.067       35.06179  1771.121       
49.09645  1819.991       50.08814  417.2599 5.786181 422.9761 5.823280 
-5.716187      8.209170 
1 1 1 0   8  3  o 500.2225 4.677476 2545.146       47.58019  2602.043       
68.51671  2492.153       66.12415  505.6841 6.662938 494.8961 6.570442 
10.78796       9.357641 
1 1 1 0   8  4  o 572.2125 5.211641 3331.304       60.64335  3331.313       
85.76041  3331.296       85.76489  572.0297 7.372535 572.0282 7.372940 
0.1525879E-02  10.42663 
1 1 1 0   8  5  o 358.6526 3.894997 1308.517       28.40747  1340.715       
40.86837  1278.418       39.51430  362.9487 5.537205 354.4195 5.482584 
8.529236       7.792264 
1 1 1 0   8  6  o 323.9788 3.808723 1067.781       25.09270  1003.924       
34.16321  1142.588       36.97637  314.0619 5.349240 335.0449 5.427125 
-20.98303      7.620240 
1 1 1 0   8  7  o 185.5374 5.081666 350.2917       19.17295  377.0329       
27.87943  326.2958       26.40954  192.4153 7.125131 178.9959 7.255482 
13.41936       10.16905 
1 1 1 0   8  8  o 305.9260 3.900539 951.9468       24.26567  907.8553       
33.38426  1001.334       35.33223  298.7034 5.496043 313.7032 5.538609 
-14.99976      7.802735 
1 1 1 0   8  9  o 582.0498 7.780000 3448.536       92.08549  3448.536       
92.08549  0.000000       0.000000  582.0498 7.780000 ?        ?        
0.000000       7.780000 
1 1 1 0   8  10 o 415.8638 6.463381 1759.639       54.65907  0.000000       
0.000000  1759.639       54.65907  ?        ?        415.8638 6.463381 
0.000000       6.463381 
1 1 1 0   8  11 o 238.8048 4.304146 580.0330       20.90169  585.2820       
29.48844  574.7332       29.63099  239.8439 6.046050 237.6704 6.130835 
2.173477       8.610567 
1 1 1 0   8  12 o 124.2132 7.345153 157.6203       18.47077  137.4697       
22.12397  203.9771       33.55646  115.7712 9.480603 140.9190 11.81911 
-25.14780      15.15167 
1 1 1 0   8  13 o 47.46352 15.14681 22.57078       16.49317  20.36256       
20.66305  26.44778       27.37923  47.85941 16.95905 54.72306 19.50761 
-6.863651      25.84872 
1 1 1 0   8  14 o 93.65755 8.229599 90.14080       15.51475  77.73522       
21.57264  103.4318       22.32924  86.22942 12.68135 99.96968 11.17504 
-13.74026      16.90261 
1 1 1 0   8  15 o 207.1258 4.961552 436.8482       20.89793  413.8730       
28.86942  462.1402       30.29000  201.4545 7.047085 212.8823 6.996942 
-11.42775      9.930690 
1 1 1 0   8  16 o 259.6455 4.707888 686.6075       24.85755  677.5356       
34.64075  696.2376       35.69053  257.7158 6.609900 261.2342 6.718488 
-3.518433      9.424906 
1 1 1 0   8  17 f 177.6417 5.375137 321.6840       19.41717  351.7412       
27.49798  291.7921       27.42223  185.5558 7.287438 168.9254 7.982819 
16.63036       10.80889 
1 1 1 0   8  18 o 135.3222 6.617018 187.0464       18.20886  156.9549       
24.57281  223.6923       27.11723  123.2294 9.889240 147.4145 9.090285 
-24.18507      13.43244 
1 1 1 0   8  19 o 172.0349 6.958812 302.6860       24.34463  337.7799       
42.20504  285.1876       29.80223  180.4601 11.56171 166.4642 8.835567 
13.99594       14.55130 
1 1 1 0   8  20 o 25.00976 11.96185 -23.10491      17.20717  -18.53236      
24.42274  -27.61205      24.24744  33.25648 15.37107 30.71359 14.54938 
2.542889       21.16492 
1 1 1 0   8  21 o 213.6558 6.023017 466.9124       26.16858  462.4107       
37.88527  471.0199       36.18892  211.9137 8.791436 214.0190 8.315183 
-2.105301      12.10089 
1 1 1 0   8  22 o 139.9736 7.910693 202.6566       22.42488  231.4718       
32.18979  175.4858       31.25789  148.5977 10.72464 128.7487 12.08018 
19.84892       16.15390 
1 1 1 0   8  23 o 162.7505 13.81070 288.1392       45.27626  0.000000       
0.000000  288.1392       45.27626  ?        ?        162.7505 13.81070 
0.000000       13.81070 
1 1 1 0   9  1  o 203.7145 2.852505 422.0050       11.81680  452.0483       
17.20378  395.1703       16.25915  210.8289 4.012753 197.1191 4.056186 
13.70979       5.705684 
1 1 1 0   9  2  o 1003.335 8.400558 10247.43       171.3979  10145.52       
240.0531  10353.40       244.8032  997.7676 11.83114 1007.916 11.94377 
-10.14807      16.81159 
1 1 1 0   9  3  o 724.9769 6.298987 5348.306       92.86377  5219.756       
128.4588  5489.023       134.4010  715.9366 8.823442 734.1470 9.002601 
-18.21039      12.60555 
1 1 1 0   9  4  o 443.6529 4.352060 2002.289       39.26356  2084.716       
57.16833  1928.692       54.01949  452.5745 6.211750 435.3171 6.102295 
17.25735       8.707689 
1 1 1 0   9  5  o 136.1136 3.912498 188.4743       10.82947  174.8446       
18.54274  195.5298       13.34115  130.8384 6.994603 138.6211 4.732740 
-7.782639      8.445313 
1 1 1 0   9  6  o 377.6185 4.071239 1450.736       31.26305  1464.146       
44.40844  1437.560       44.01938  379.2461 5.758283 375.7870 5.760375 
3.459045       8.144921 
1 1 1 0   9  7  o 253.5557 5.164099 654.2066       26.62683  598.6812       
36.55877  716.9371       38.85839  242.4543 7.414984 265.3339 7.201793 
-22.87964      10.33672 
1 1 1 0   9  8  o 495.3903 4.885390 2496.648       49.21508  2570.038       
71.02454  2428.863       68.25906  502.4759 6.950912 488.4864 6.871578 
13.98950       9.774137 
1 1 1 0   9  9  o 256.2668 3.940963 667.9282       20.53744  676.6190       
29.16133  659.3757       28.92871  257.8923 5.560546 254.5843 5.587866 
3.308060       7.883142 
1 1 1 0   9  10 o 304.7989 4.155227 944.8732       25.75488  992.3134       
37.08542  900.6780       35.79467  312.3129 5.839314 297.5411 5.915887 
14.77179       8.312359 
1 1 1 0   9  11 o 776.2874 6.939206 6132.796       109.5428  6225.516       
156.9194  6044.662       152.9891  781.7728 9.870623 770.3485 9.766116 
11.42432       13.88547 
1 1 1 0   9  12 o 247.2896 5.319065 622.2006       26.74808  619.5099       
32.19733  628.1938       48.05284  246.7159 6.417579 248.2909 9.517148 
-1.574966      11.47874 
1 1 1 0   9  13 o 295.1204 5.251690 886.3735       31.51735  901.6057       
39.24221  858.6922       52.90118  297.5740 6.484956 290.2220 8.963623 
7.352020       11.06351 
1 1 1 0   9  14 o 206.0757 4.927720 432.2809       20.65019  447.6492       
29.21450  416.9352       29.19308  209.5961 6.854311 202.2620 7.097644 
7.334122       9.867023 
1 1 1 0   9  15 o 137.3316 5.930220 192.1810       16.56124  158.4935       
23.08920  227.8779       23.76780  124.1890 9.208285 149.2152 7.860665 
-25.02615      12.10713 
1 1 1 0   9  16 o 197.9776 5.021091 399.3030       20.21462  372.0332       
27.66801  430.5264       29.60586  190.9088 7.126901 205.3733 7.088956 
-14.46452      10.05217 
1 1 1 0   9  17 o 35.03465 13.86263 7.078526       14.64548  -16.37761      
20.59752  31.06273       20.82809  30.52734 14.11192 54.61129 16.96721 
-24.08395      22.06881 
1 1 1 0   9  18 o 254.0862 5.153340 658.2960       26.62694  636.2098       
36.10950  684.6179       39.42030  249.4653 7.118031 258.7063 7.493099 
-9.240982      10.33503 
1 1 1 0   9  19 o 311.8648 5.881296 993.1267       37.29845  966.8624       
63.72185  1006.815       46.00240  306.3978 10.22707 313.6709 7.211984 
-7.273071      12.51422 
1 1 1 0   9  20 o 36.50723 14.98666 5.209139       17.81993  18.70879       
25.17032  -8.356943      25.23217  48.55470 18.45477 37.08528 16.52734 
11.46942       24.77361 
1 1 1 0   9  21 o 104.8191 9.505087 114.3081       20.04005  105.9329       
27.93650  123.1864       28.76341  99.48493 14.21305 107.6828 13.42711 
-8.197861      19.55244 
1 1 1 0   9  22 o 84.98618 12.04243 77.26997       20.22968  34.80445       
28.47075  120.5710       28.74948  57.54626 19.94230 105.8358 13.67820 
-48.28949      24.18240 
1 1 1 0   9  23 o 117.2867 10.18800 145.8558       24.05766  192.0633       
29.97418  62.19865       40.33135  134.2157 11.08138 71.15182 23.75393 
63.06393       26.21157 
1 1 1 0   10 0  o 461.9196 6.166688 2170.134       57.92550  2339.529       
86.80003  2034.122       77.77851  479.5297 8.901290 447.1471 8.553775 
32.38263       12.34504 
1 1 1 0   10 1  o 1006.148 8.410244 10305.27       172.0766  10235.77       
241.7888  10376.59       244.9479  1002.162 11.86443 1009.018 11.93778 
-6.855713      16.83079 
1 1 1 0   10 2  o 301.6958 3.404702 925.6630       20.88814  928.8752       
29.63209  922.4903       29.44935  302.1863 4.822098 301.1463 4.808911 
1.040039       6.810158 
1 1 1 0   10 3  o 155.8517 2.988495 247.0214       9.471431  278.4923       
13.87943  219.5932       12.95731  165.4666 4.124867 146.9279 4.336700 
18.53871       5.985107 
1 1 1 0   10 4  o 412.2252 4.156806 1728.689       34.84542  1659.139       
47.87982  1807.006       50.80819  403.7458 5.831672 421.3461 5.929845 
-17.60028      8.316938 
1 1 1 0   10 5  o 416.1462 4.889091 1762.344       41.37381  1765.363       
71.60855  1760.831       50.69113  416.1421 8.461977 415.8767 5.993988 
0.2653198      10.36981 
1 1 1 0   10 6  o 212.7925 3.494861 460.5985       15.12299  467.5250       
21.44292  453.7437       21.33180  214.3409 4.919573 211.1564 4.967887 
3.184494       6.991574 
1 1 1 0   10 7  o 133.9838 4.655203 182.6400       12.68359  205.7771       
21.88595  170.9396       15.56364  141.9407 7.610132 129.5965 5.905634 
12.34421       9.632789 
1 1 1 0   10 8  o 545.6544 5.207448 3029.165       57.78220  2975.472       
80.53967  3086.114       82.94619  540.6348 7.325790 550.5871 7.408307 
-9.952332      10.41874 
1 1 1 0   10 9  o 573.9656 5.446643 3351.388       63.57204  3495.097       
92.93027  3224.984       87.15616  585.9782 7.798738 562.8942 7.614123 
23.08405       10.89932 
1 1 1 0   10 10 f 356.2079 4.324895 1290.526       31.32785  1304.164       
44.62237  1277.271       43.99287  358.0276 6.128931 354.3178 6.105733 
3.709778       8.651230 
1 1 1 0   10 11 o 391.7998 4.600160 1561.458       36.65123  1532.137       
51.20550  1592.260       52.48347  388.0241 6.489429 395.5623 6.524635 
-7.538239      9.202367 
1 1 1 0   10 12 o 278.8774 5.272817 791.3260       29.90250  793.2850       
36.18070  787.1039       53.11549  279.1769 6.373032 277.9185 9.398364 
1.258392       11.35539 
1 1 1 0   10 13 o 610.9066 6.815437 3800.829       84.66813  3844.603       
104.8359  3718.722       143.5793  614.1561 8.394208 603.3163 11.70295 
10.83978       14.40215 
1 1 1 0   10 14 o 83.13297 9.063642 71.37997       15.07414  75.80334       
21.37749  67.00549       21.25910  85.08903 12.74714 79.73423 13.59925 
5.354797       18.63945 
1 1 1 0   10 15 o 298.9360 4.628029 909.8681       28.13363  950.7583       
40.61810  872.1616       39.00483  305.3690 6.540986 292.4726 6.558155 
12.89639       9.262499 
1 1 1 0   10 16 o 280.5210 4.688026 801.5226       26.74280  807.9249       
38.01333  795.2488       37.62963  281.3901 6.643175 279.1761 6.628271 
2.213959       9.384336 
1 1 1 0   10 17 o 161.3449 5.728353 265.5030       18.79474  273.3432       
27.13391  258.2721       26.05827  163.4509 8.163448 158.6855 8.102268 
4.765366       11.50168 
1 1 1 0   10 18 o 42.81340 14.80426 17.39631       15.68582  -13.58060      
21.05243  56.05379       23.51798  31.78422 14.53657 71.81594 16.45640 
-40.03172      21.95735 
1 1 1 0   10 19 o 132.2467 8.200957 180.0033       21.94592  180.4020       
37.08119  179.7884       27.22616  130.8521 14.16140 131.7238 10.24473 
-0.8717194     17.47856 
1 1 1 0   10 20 o 157.8656 6.933323 255.1023       22.25770  220.5357       
31.50089  289.5649       31.45346  145.7348 10.70429 167.5036 9.270138 
-21.76875      14.16041 
1 1 1 0   10 21 o 240.7616 5.675494 592.7152       27.78704  609.0581       
39.60588  576.8726       38.99487  243.3828 8.002367 236.8335 8.096791 
6.549286       11.38402 
1 1 1 0   10 22 o 131.0962 8.203478 178.2773       21.75947  175.4306       
30.91189  181.0731       30.63506  128.6292 11.95451 130.8351 11.63590 
-2.205917      16.68246 
1 1 1 0   10 23 o 109.0857 10.41939 126.7088       22.83220  132.4637       
28.26019  115.8911       38.74585  110.3096 12.83841 98.68002 19.99335 
11.62956       23.76044 
1 1 1 0   11 1  o 187.1010 2.842063 355.9926       10.81338  343.3782       
15.13126  369.1591       15.45884  183.7415 4.049641 190.5152 3.990211 
-6.773743      5.685189 
1 1 1 0   11 2  o 502.7913 5.402164 2572.042       55.23405  2492.053       
65.92243  2760.486       101.1838  494.8360 6.551195 520.5258 9.559103 
-25.68985      11.58856 
1 1 1 0   11 3  f 410.0640 4.102373 1710.496       34.20883  1728.338       
48.73496  1693.166       48.02993  412.1028 5.815454 407.8895 5.790525 
4.213226       8.206685 
1 1 1 0   11 4  o 499.4604 4.729126 2538.337       48.03230  2640.469       
70.02552  2447.587       66.00820  509.2101 6.762510 490.2745 6.620749 
18.93558       9.463924 
1 1 1 0   11 5  o 159.5638 3.882381 259.0219       12.59749  311.2896       
22.52697  235.2390       15.19563  174.8413 6.335885 152.0361 4.914968 
22.80518       8.018749 
1 1 1 0   11 6  o 142.4904 3.741251 206.5374       10.84062  232.9958       
15.77706  182.8733       14.92066  151.3109 5.127486 134.0430 5.473843 
17.26784       7.500271 
1 1 1 0   11 7  o 516.7083 5.756354 2717.098       60.48454  2729.765       
105.3037  2710.861       73.88889  517.4383 10.00769 515.9991 7.041719 
1.439148       12.23682 
1 1 1 0   11 8  o 233.4521 3.782445 554.3089       17.95651  573.6630       
25.53660  535.3801       25.25444  237.4576 5.288415 229.3942 5.413820 
8.063385       7.568142 
1 1 1 0   11 9  o 208.4600 3.998114 441.9672       16.94842  429.1960       
23.68059  455.3793       24.26757  205.3966 5.669538 211.5696 5.640551 
-6.173019      7.997467 
1 1 1 0   11 10 o 436.8992 4.703668 1941.563       41.78970  1999.157       
60.44777  1888.836       57.83772  443.2434 6.706355 430.8452 6.601437 
12.39819       9.410322 
1 1 1 0   11 11 o 118.1798 6.052040 142.4864       14.49563  160.8941       
20.61760  124.4931       20.38423  125.4463 8.125861 110.1765 9.181778 
15.26988       12.26110 
1 1 1 0   11 12 o 452.7554 5.773260 2086.119       53.15403  2085.136       
64.84679  2088.132       92.79478  452.5491 7.046465 452.5570 10.08321 
-0.7934570E-02 12.30137 
1 1 1 0   11 13 f 230.3976 5.502872 540.3410       25.78213  557.4940       
32.44910  510.9718       42.45992  233.9552 6.820538 223.8121 9.329197 
10.14310       11.55654 
1 1 1 0   11 14 o 189.7221 5.137973 366.4793       19.82262  360.4652       
27.95170  372.5642       28.11587  188.0277 7.310294 191.1628 7.232635 
-3.135101      10.28355 
1 1 1 0   11 15 o 200.8077 4.968740 410.6810       20.28981  407.1153       
28.81152  414.1891       28.57816  199.7618 7.092546 201.5011 6.974378 
-1.739258      9.947168 
1 1 1 0   11 16 o 326.0556 4.736363 1082.955       31.40423  1161.836       
45.96901  1013.923       43.00371  337.4087 6.699731 315.1984 6.709197 
22.21033       9.481545 
1 1 1 0   11 17 o 242.5388 4.926842 599.5204       24.29972  592.8149       
34.48543  606.1331       34.24580  240.8843 7.040049 243.5959 6.913308 
-2.711578      9.866920 
1 1 1 0   11 18 o 201.0460 5.541537 412.4072       22.65568  424.8558       
32.26657  400.3023       31.81806  203.7121 7.789051 197.7162 7.913710 
5.995972       11.10388 
1 1 1 0   11 19 o 52.16589 16.76372 28.16867       20.17560  64.76131       
34.49296  9.138360       24.87463  76.39676 21.36683 43.75909 17.80510 
32.63767       27.81300 
1 1 1 0   11 20 o 21.51016 10.65759 -40.44196      17.51242  -58.90426      
25.56868  -24.12806      24.03501  25.90259 12.84175 31.35709 14.74094 
-5.454496      19.55008 
1 1 1 0   11 21 o 160.9713 6.825303 265.7043       22.34198  251.3358       
32.07712  279.2426       31.13653  155.4359 10.20497 164.1570 9.366194 
-8.721191      13.85161 
1 1 1 0   11 22 o 59.45889 15.69868 39.56779       19.26142  90.92725       
28.22400  -5.203907      26.35179  90.59516 15.90008 38.36538 17.00514 
52.22978       23.28062 
1 1 1 0   11 23 o 54.91640 16.97322 34.51743       20.87363  24.38561       
25.41056  55.54011       36.60283  49.67682 18.61752 67.45377 22.62877 
-17.77695      29.30313 
1 1 1 0   12 0  o 940.7650 11.18498 9011.371       213.9774  9088.724       
305.1830  8936.573       300.1005  944.1218 15.89575 936.2078 15.76315 
7.914001       22.38642 
1 1 1 0   12 1  o 213.8738 2.955734 465.1840       12.85507  457.6880       
18.09807  472.8170       18.26266  212.1218 4.195616 215.5998 4.165474 
-3.477997      5.912222 
1 1 1 0   12 2  o 637.0697 5.637541 4130.070       73.03451  4118.083       
84.14781  4166.677       147.0441  636.0565 6.505725 639.0807 11.31463 
-3.024231      13.05164 
1 1 1 0   12 3  o 430.3663 4.238378 1884.271       37.09278  1876.253       
52.27677  1892.402       52.63932  429.3289 5.987798 431.1713 6.003562 
-1.842316      8.479179 
1 1 1 0   12 4  f 253.7440 3.364347 654.9272       17.35993  710.8393       
25.45780  606.3305       23.73403  264.2996 4.736668 244.0969 4.781431 
20.20276       6.730386 
1 1 1 0   12 5  o 222.7366 3.897173 504.7241       17.65195  492.2611       
29.94773  511.3592       21.85126  219.8460 6.698750 224.1628 4.793596 
-4.316803      8.237222 
1 1 1 0   12 6  o 192.3684 3.540574 376.4128       13.85029  374.3880       
19.44420  378.4982       19.73354  191.8123 4.984966 192.8609 5.031637 
-1.048569      7.082885 
1 1 1 0   12 7  o 597.5049 6.383148 3633.837       77.55822  3730.452       
137.4450  3588.701       93.94395  604.7336 11.17670 593.6293 7.782193 
11.10425       13.61914 
1 1 1 0   12 8  o 651.1378 5.930453 4314.044       78.52577  4346.738       
111.6761  4282.071       110.4387  653.3598 8.405360 648.4850 8.374713 
4.874817       11.86532 
1 1 1 0   12 9  o 512.0457 5.068014 2667.078       52.77132  2809.086       
77.66280  2545.273       71.92667  525.3748 7.269297 500.1090 7.072514 
25.26581       10.14215 
1 1 1 0   12 10 o 34.20998 12.40418 9.770808       11.12315  28.02818       
15.97613  -7.405407      15.49588  51.72222 14.56833 28.61128 12.83657 
23.11094       19.41684 
1 1 1 0   12 11 o 544.3928 5.417439 3015.265       59.97328  3087.833       
86.42265  2947.857       83.29391  550.7224 7.716909 538.1046 7.611936 
12.61780       10.83939 
1 1 1 0   12 12 o 124.6204 7.541354 158.7411       19.02129  148.1854       
22.45677  185.5427       35.78361  120.2221 9.256883 134.0980 13.29765 
-13.87591      16.20238 
1 1 1 0   12 13 o 284.3220 5.333121 822.8760       30.83495  852.7035       
38.79786  771.7292       50.80522  289.3426 6.593924 275.0483 9.083390 
14.29431       11.22443 
1 1 1 0   12 14 o 210.2874 4.974475 450.2302       21.27218  449.3519       
30.04016  451.1136       30.12683  209.9405 7.036468 210.3511 7.042994 
-0.4106140     9.955684 
1 1 1 0   12 15 o 266.2584 4.717581 721.9537       25.54313  782.0406       
37.32145  669.0071       35.03386  276.9058 6.627886 256.1018 6.727040 
20.80405       9.443620 
1 1 1 0   12 16 o 95.95895 7.975065 94.77441       15.42121  87.68612       
21.64931  102.0756       21.97205  91.57070 11.90793 99.07560 11.09620 
-7.504898      16.27650 
1 1 1 0   12 17 o 177.1447 6.375242 320.3628       22.96552  351.0907       
40.03527  305.2928       28.03705  184.4632 10.71910 172.7294 7.982055 
11.73376       13.36459 
1 1 1 0   12 18 o 133.9631 7.020419 184.0200       19.05839  196.4388       
26.71324  171.1459       27.19857  137.9325 9.583249 128.4988 10.50044 
9.433731       14.21611 
1 1 1 0   12 19 o 87.54773 11.86872 80.74100       20.58530  100.3423       
36.92591  71.90250       24.79579  95.36484 19.69328 81.56104 15.51707 
13.80380       25.07199 
1 1 1 0   12 20 o 109.6233 9.075074 124.4990       20.04848  104.6535       
28.48817  143.9718       28.21940  98.93878 14.59801 117.1691 12.01346 
-18.23036      18.90569 
1 1 1 0   12 21 o 50.08998 16.11208 26.39057       18.63415  46.67000       
27.53067  9.245336       25.31400  64.82029 19.38473 43.67188 17.88732 
21.14841       26.37658 
1 1 1 0   12 22 o 46.28807 16.08637 21.66611       18.53158  41.07576       
27.72123  5.983956       24.91760  60.59993 19.66816 41.48164 17.43124 
19.11829       26.28088 
1 1 1 0   12 23 o 57.40243 16.67677 38.21773       20.62338  48.85764       
24.39023  11.52851       38.62912  64.25269 17.96622 49.78062 21.33905 
14.47208       27.89516 
1 1 1 0   13 1  o 391.9628 3.927256 1562.781       31.30297  1530.635       
43.68262  1596.713       44.87981  387.8279 5.538831 396.1088 5.571667 
-8.280884      7.856342 
1 1 1 0   13 2  o 506.3635 5.443520 2609.439       56.05232  2618.979       
68.89965  2590.769       96.39016  507.1697 6.680552 504.0873 9.403196 
3.082367       11.53472 
1 1 1 0   13 3  o 51.65834 4.933187 27.40420       5.119267  24.02239       
7.328441  30.62709       7.154178  47.94466 7.783500 54.44493 6.596388 
-6.500263      10.20271 
1 1 1 0   13 4  o 368.9993 3.927762 1385.262       29.47285  1476.293       
43.40932  1307.412       40.14376  380.8126 5.605577 358.3772 5.508410 
22.43542       7.859076 
1 1 1 0   13 5  o 453.8269 5.182973 2096.193       47.83223  2159.461       
84.46073  2066.321       58.03601  460.1628 9.025929 450.4716 6.335469 
9.691193       11.02749 
1 1 1 0   13 6  o 312.7412 3.798255 994.9120       24.15576  982.7230       
33.90664  1007.474       34.42200  310.7509 5.365633 314.6392 5.379871 
-3.888306      7.598225 
1 1 1 0   13 7  o 212.8963 4.265479 461.0558       18.46662  488.4674       
32.87553  448.4199       22.32069  219.0354 7.380859 209.9350 5.228432 
9.100479       9.045086 
1 1 1 0   13 8  o 578.8209 5.446077 3408.527       64.10315  3411.514       
90.75741  3405.554       90.55402  578.9025 7.709483 578.3976 7.698920 
0.5048828      10.89539 
1 1 1 0   13 9  o 569.3313 5.441833 3297.462       63.00308  3334.394       
89.92741  3261.859       88.29464  572.3579 7.726325 566.1027 7.669864 
6.255188       10.88682 
1 1 1 0   13 10 o 498.0142 5.063066 2522.985       51.27514  2572.599       
73.50642  2475.963       71.56070  502.7636 7.189688 493.2342 7.134606 
9.529480       10.12888 
1 1 1 0   13 11 o 551.8279 5.483862 3098.374       61.53775  3196.315       
89.15821  3009.265       85.04263  560.2783 7.825393 543.6503 7.692466 
16.62799       10.97319 
1 1 1 0   13 12 o 307.9641 5.323819 965.1620       33.34070  970.8672       
40.51036  953.1846       58.69662  308.8099 6.450947 305.7616 9.440145 
3.048309       11.43377 
1 1 1 0   13 13 o 506.9388 6.142002 2617.164       63.31649  2644.683       
78.39824  2565.545       107.3717  509.3848 7.568484 501.1329 10.53624 
8.251862       12.97283 
1 1 1 0   13 14 o 278.1404 6.685006 788.6290       37.81092  0.000000       
0.000000  788.6290       37.81092  ?        ?        278.1404 6.685006 
0.000000       6.685006 
1 1 1 0   13 15 o 240.2612 4.768701 587.9202       23.29888  590.1962       
33.08498  585.6810       32.81585  240.5215 6.764343 239.6032 6.735033 
0.9183197      9.545523 
1 1 1 0   13 16 o 246.3459 4.807019 618.3074       24.08089  676.0781       
35.09278  566.8956       33.10511  257.3476 6.705732 235.6242 6.909135 
21.72339       9.628240 
1 1 1 0   13 17 o 99.31174 9.278148 102.0350       18.52051  108.5363       
32.20805  98.82340       22.63749  100.7710 16.27168 97.23264 11.68280 
3.538345       20.03136 
1 1 1 0   13 18 o 116.6689 7.553607 139.9268       17.82476  134.7646       
25.32965  144.9910       25.08813  113.7658 11.08979 118.1689 10.55130 
-4.403099      15.30730 
1 1 1 0   13 19 o 113.8303 9.277251 134.1386       21.28798  134.6140       
36.60087  133.8955       26.16977  111.9183 16.58383 113.1823 11.53131 
-1.264023      20.19888 
1 1 1 0   13 20 o 107.0701 9.465135 119.0546       20.39623  103.3591       
28.71341  135.0403       28.97766  98.18176 14.84486 113.1507 12.81997 
-14.96891      19.61432 
1 1 1 0   13 21 o 168.4091 8.181190 292.2307       28.01776  297.2557       
33.69226  280.9659       50.44546  169.0840 9.841443 161.7449 15.52783 
7.339020       18.38389 
1 1 1 0   13 22 o 40.69688 15.97122 12.16789       19.29096  -15.15957      
26.71444  41.94558       27.88636  35.41578 16.26259 60.96161 19.72089 
-25.54583      25.56140 
1 1 1 0   13 23 o 97.24279 11.74009 102.7584       22.74584  86.50156       
27.13561  141.1697       41.71106  86.82555 15.95683 108.6111 19.60686 
-21.78551      25.27943 
1 1 1 0   14 0  o 556.4855 7.130940 3151.269       80.69601  3213.852       
116.0526  3092.685       112.2835  561.7470 10.15927 551.0684 10.01980 
10.67859       14.26910 
1 1 1 0   14 1  o 865.4733 7.345015 7629.767       129.2700  7743.470       
185.3832  7522.152       180.3515  871.0910 10.46539 858.5927 10.32954 
12.49829       14.70455 
1 1 1 0   14 2  o 111.6886 3.076607 126.8780       6.987672  131.0671       
8.164590  115.4079       13.51000  113.5113 3.537071 106.2787 6.278992 
7.232628       7.206706 
1 1 1 0   14 3  o 112.7802 4.744775 129.4394       10.88178  129.4394       
10.88178  0.000000       0.000000  112.7802 4.744775 ?        ?        
0.000000       4.744775 
1 1 1 0   14 4  o 361.6759 3.900814 1330.822       28.68972  1349.669       
40.89019  1312.547       40.26384  364.1188 5.522358 359.0771 5.514117 
5.041687       7.803968 
1 1 1 0   14 5  o 139.1171 4.150262 196.8979       11.74107  178.1229       
19.75763  207.1477       14.59829  132.0275 7.388658 142.6722 5.031659 
-10.64468      8.939231 
1 1 1 0   14 6  o 162.4489 3.695404 268.4275       12.20759  276.1844       
17.39450  260.8989       17.13668  164.7476 5.192081 160.1220 5.262890 
4.625595       7.392951 
1 1 1 0   14 7  o 568.8663 6.175640 3293.322       71.44035  3242.306       
122.4819  3319.627       87.95078  563.9365 10.68047 571.0038 7.574418 
-7.067261      13.09367 
1 1 1 0   14 8  o 368.2386 4.219640 1379.207       31.59774  1434.657       
45.64583  1328.187       43.78420  375.5031 5.977729 361.3018 5.959310 
14.20129       8.440771 
1 1 1 0   14 9  o 207.3706 4.077576 437.3670       17.19494  452.0067       
24.55981  423.2915       24.08186  210.7818 5.729814 203.9750 5.805795 
6.806747       8.157084 
1 1 1 0   14 10 f 101.8908 6.385719 106.0583       13.16426  104.9201       
18.08124  107.3422       19.20355  101.1153 8.883549 102.2355 9.340114 
-1.120178      12.89012 
1 1 1 0   14 11 o 446.6632 4.935373 2029.769       44.82824  2067.808       
64.35345  1993.911       62.48139  450.6885 7.021726 442.5683 6.942549 
8.120178       9.874392 
1 1 1 0   14 12 o 103.7019 8.714445 110.3889       18.20675  108.5550       
21.42295  115.1583       34.54856  102.6208 10.40987 104.6590 16.80155 
-2.038231      19.76506 
1 1 1 0   14 13 o 335.9141 4.704650 1148.469       32.13712  1232.018       
46.87162  1074.348       44.14806  347.7442 6.628246 324.7253 6.685655 
23.01889       9.414437 
1 1 1 0   14 14 o 203.2835 4.979917 420.8116       20.58617  407.9285       
28.52727  434.8104       29.73687  199.9977 7.014292 206.4763 7.082290 
-6.478577      9.967905 
1 1 1 0   14 15 o 101.0251 7.826888 104.8830       15.95391  114.7245       
22.31004  94.58357       22.82318  105.2525 10.56619 95.17976 12.06248 
10.07274       16.03584 
1 1 1 0   14 16 f 234.3737 4.907540 559.7661       23.38967  573.7269       
32.94820  545.5833       33.20933  237.0306 6.835588 231.1096 7.066276 
5.920929       9.831455 
1 1 1 0   14 17 o 223.6139 5.946774 510.3571       27.04155  551.1899       
47.23982  490.4559       32.97940  231.5758 10.03145 218.9813 7.406012 
12.59450       12.46912 
1 1 1 0   14 18 o 184.0384 6.767091 346.3629       25.32573  364.9543       
30.36421  303.8656       45.90771  188.7149 7.912329 170.4885 13.34814 
18.22641       15.51702 
1 1 1 0   14 19 o 224.9418 8.094589 519.1863       37.02682  472.1206       
48.52011  584.8143       57.29461  213.3331 11.22386 237.5013 11.86305 
-24.16814      16.33117 
1 1 1 0   14 20 o 110.1656 9.137422 125.8776       20.28539  130.7849       
28.25289  120.6561       29.14358  111.3134 12.70926 106.5200 13.77711 
4.793427       18.74391 
1 1 1 0   14 21 o 152.9497 7.340810 240.5567       22.83200  168.7066       
31.14624  324.0159       33.56827  126.2829 12.28406 176.6508 9.378222 
-50.36794      15.45475 
1 1 1 0   14 22 f 97.65054 10.53518 101.2218       20.58895  84.88768       
29.48354  116.7685       28.76413  86.29497 17.40194 103.3696 14.04768 
-17.07462      22.36437 
1 1 1 0   14 23 o 60.21594 16.49235 42.58849       20.78947  32.53839       
24.82634  66.17683       38.03436  53.59748 18.61951 71.73696 23.01302 
-18.13948      29.60211 
1 1 1 0   15 1  o 223.6353 3.058351 508.6932       13.90846  546.0259       
20.33652  475.8858       19.06414  231.6556 4.317004 216.2650 4.334905 
15.39059       6.117836 
1 1 1 0   15 2  o 259.3481 3.260527 684.1794       17.19579  686.1095       
19.90564  678.5026       34.13744  259.6953 3.769299 258.1085 6.503950 
1.586792       7.517245 
1 1 1 0   15 3  o 480.3571 4.580920 2348.099       44.74746  2342.122       
51.58799  2366.262       89.92472  479.6780 5.288682 481.5989 9.182104 
-1.920868      10.59628 
1 1 1 0   15 4  o 314.8205 5.198351 1008.770       33.27974  1008.770       
33.27974  0.000000       0.000000  314.8205 5.198351 ?        ?        
0.000000       5.198351 
1 1 1 0   15 5  o 483.3377 5.437622 2377.632       53.44549  2457.872       
67.11866  2238.595       88.35083  491.3004 6.718074 468.5591 9.272458 
22.74130       11.45037 
1 1 1 0   15 6  o 511.6276 5.689297 2663.867       59.19213  2607.466       
71.30411  2788.893       106.1627  506.0747 6.928648 523.0175 9.981696 
-16.94284      12.15074 
1 1 1 0   15 7  o 437.4304 5.224178 1946.722       46.47060  1964.487       
81.33307  1938.111       56.62325  439.1490 9.107598 436.3965 6.380608 
2.752441       11.12027 
1 1 1 0   15 8  o 731.5229 6.521216 5445.372       97.00809  5363.643       
135.3498  5531.703       139.1077  725.7264 9.171348 736.9940 9.281878 
-11.26764      13.04864 
1 1 1 0   15 9  o 629.5295 5.842372 4032.081       74.79228  4107.563       
107.3916  3960.986       104.2240  635.1882 8.314125 623.7614 8.216708 
11.42688       11.68927 
1 1 1 0   15 10 o 511.5979 5.160689 2662.721       53.68931  2794.676       
78.59026  2547.245       73.51944  523.9659 7.375886 500.2450 7.227165 
23.72092       10.32645 
1 1 1 0   15 11 o 551.9659 6.339784 3101.115       71.16036  3087.605       
122.1097  3108.062       87.56625  550.1760 10.91433 552.4304 7.794850 
-2.254333      13.41202 
1 1 1 0   15 12 o 298.6086 5.364419 907.5636       32.57440  924.9715       
39.59047  871.0817       57.31355  301.3884 6.459705 292.2069 9.645292 
9.181488       11.60859 
1 1 1 0   15 13 o 34.18863 13.83732 5.056576       14.93289  -2.893512      
21.12033  13.00360       21.11626  36.01347 15.60967 43.65797 16.82732 
-7.644505      22.95257 
1 1 1 0   15 14 o 36.51463 14.07150 9.076831       14.76409  5.593812       
20.01329  13.23574       21.86907  38.83765 15.90566 44.19380 17.09913 
-5.356144      23.35317 
1 1 1 0   15 15 f 321.4566 5.514645 1053.286       36.04884  1073.412       
44.08080  1012.647       62.63736  324.3245 6.683721 314.3532 9.798602 
9.971252       11.86106 
1 1 1 0   15 16 o 364.5801 5.669983 1355.671       42.03647  1341.255       
50.75270  1387.169       75.01918  362.3698 6.887407 367.5793 10.03621 
-5.209503      12.17218 
1 1 1 0   15 17 o 272.1219 5.735867 755.7083       31.74052  715.5154       
52.94659  778.2559       39.65639  263.8341 9.868605 275.8878 7.068534 
-12.05368      12.13893 
1 1 1 0   15 18 o 25.52500 12.03465 -17.62993      16.23308  9.081985       
22.53691  -46.43089      23.40158  42.11452 17.01527 26.07394 12.80310 
16.04058       21.29410 
1 1 1 0   15 19 o 44.82616 16.57839 17.17258       20.01808  25.39450       
33.73346  12.70349       24.87046  55.82819 21.32987 45.32055 18.02298 
10.50764       27.92474 
1 1 1 0   15 20 o 113.0506 8.894097 132.4557       20.28172  116.8413       
29.33070  146.7625       28.07581  104.6003 14.15257 118.2082 11.83889 
-13.60793      18.45141 
1 1 1 0   15 21 o 100.8722 10.13429 106.8052       20.50700  78.46912       
29.43625  133.5261       28.58502  83.55865 17.86487 111.9314 12.78796 
-28.37273      21.97010 
1 1 1 0   15 22 o 47.50092 17.56912 21.66971       22.48311  -7.058195      
40.46471  34.49915       27.04135  46.14205 20.71969 56.15450 19.43665 
-10.01245      28.40931 
1 1 1 0   15 23 o 88.11371 15.90846 89.76284       27.45619  81.68880       
38.25722  98.33820       39.42704  79.28741 22.61823 87.59721 22.12691 
-8.309799      31.64150 
1 1 1 0   16 0  o 729.3376 8.940396 5417.337       132.5979  5378.588       
186.2997  5457.120       188.7683  726.1391 12.61656 731.4069 12.69166 
-5.267761      17.89569 
1 1 1 0   16 1  o 362.8904 3.779950 1339.759       27.89414  1333.625       
39.36496  1345.945       39.53210  361.9525 5.348189 363.6208 5.346257 
-1.668243      7.562115 
1 1 1 0   16 2  o 64.91786 4.654785 43.10820       6.104116  31.60243       
7.410170  67.39706       10.76648  55.29309 6.729059 81.07742 6.587091 
-25.78433      9.416475 
1 1 1 0   16 3  o 291.3691 3.484331 863.6106       20.64497  876.8581       
24.03983  826.3901       40.29535  293.5715 4.026855 284.8159 6.957276 
8.755615       8.038610 
1 1 1 0   16 4  o 419.0574 4.257786 1786.677       36.28346  1834.736       
52.33730  1742.205       50.34575  424.5167 6.062687 413.6803 5.984757 
10.83640       8.519008 
1 1 1 0   16 5  o 288.8546 4.242367 848.8288       24.91948  832.9311       
30.10445  883.4319       44.41407  286.0983 5.174448 294.5162 7.415834 
-8.417908      9.042650 
1 1 1 0   16 6  o 264.7956 4.237679 713.2537       22.81866  688.2369       
27.63374  766.8735       40.45642  260.0791 5.224957 274.4461 7.249013 
-14.36703      8.935792 
1 1 1 0   16 7  o 503.7363 5.705978 2581.833       58.45003  2535.780       
100.1910  2605.593       71.96552  498.8795 9.876010 505.9610 6.994490 
-7.081512      12.10200 
1 1 1 0   16 8  o 272.1527 3.943192 753.3109       21.82288  756.9360       
30.93037  749.7175       30.79451  272.7668 5.576250 271.4630 5.578421 
1.303802       7.887543 
1 1 1 0   16 9  o 234.1382 4.115058 557.5820       19.59294  592.7840       
28.03176  523.9578       27.39637  241.3793 5.710827 226.9284 5.936804 
14.45090       8.237669 
1 1 1 0   16 10 o 338.4709 4.381791 1165.350       30.15952  1216.403       
43.36670  1117.528       41.97151  345.7304 6.168325 331.3786 6.228432 
14.35184       8.765934 
1 1 1 0   16 11 o 522.4919 6.182353 2778.870       65.68781  2603.118       
107.1655  2884.644       83.13687  505.1759 10.43184 532.1805 7.682158 
-27.00461      12.95526 
1 1 1 0   16 12 o 120.4952 7.902760 148.6212       19.25696  144.0481       
22.61928  160.6657       36.70821  118.4414 9.470467 124.3096 14.81306 
-5.868195      17.58171 
1 1 1 0   16 13 o 201.3634 6.041314 413.0809       24.73793  396.9619       
29.30645  453.0329       46.13855  197.3063 7.304168 210.1462 10.83356 
-12.83992      13.06587 
1 1 1 0   16 14 o 93.84051 8.292931 90.66047       15.66234  93.42607       
21.88352  87.75599       22.42625  94.72385 11.60336 91.61474 12.35249 
3.109116       16.94763 
1 1 1 0   16 15 o 200.2168 5.094569 408.5027       20.74242  451.1771       
30.09876  369.9046       28.62511  210.2010 7.041453 190.2875 7.397508 
19.91354       10.21299 
1 1 1 0   16 16 o 161.8487 5.760538 267.2351       18.95936  269.2812       
26.60741  265.1246       27.02257  162.2069 8.066440 160.7103 8.296894 
1.496582       11.57177 
1 1 1 0   16 17 o 157.5890 7.020272 253.9720       22.49735  285.3310       
38.39570  237.5772       27.76221  165.8660 11.45362 151.8710 9.030023 
13.99506       14.58515 
1 1 1 0   16 18 o 173.2081 6.297849 306.6794       22.18257  365.2502       
31.46668  248.8164       31.27597  188.6754 8.201330 155.0849 9.970053 
33.59042       12.90983 
1 1 1 0   16 19 o 139.2928 8.224925 199.9398       23.19431  136.4433       
39.05169  234.5473       28.83035  112.0729 17.72466 150.5943 9.462446 
-38.52139      20.09232 
1 1 1 0   16 20 o 107.1423 10.62663 120.1427       22.84763  108.1689       
37.65445  127.1199       28.74361  98.43172 19.50130 109.4301 13.18200 
-10.99841      23.53860 
1 1 1 0   16 21 o 166.9935 7.711799 287.5367       26.18826  262.7633       
43.53508  301.5843       32.78287  156.7391 13.79945 170.1620 9.512074 
-13.42287      16.76020 
1 1 1 0   16 22 o 110.1779 10.73117 129.3464       23.73808  56.97669       
43.56955  159.8976       28.30865  68.95801 24.60568 122.1852 11.52959 
-53.22722      27.17299 
1 1 1 0   16 23 o 83.38173 12.92286 77.62939       21.20289  81.79495       
25.64125  68.62227       37.70471  84.02393 15.58039 72.20031 22.88693 
11.82362       27.68682 
1 1 1 0   17 1  o 328.8993 3.597175 1100.477       24.05891  1074.757       
33.53051  1127.770       34.54085  324.9467 5.074306 332.8624 5.102898 
-7.915619      7.196398 
1 1 1 0   17 2  o 444.2403 4.331226 2008.105       39.12733  2003.147       
45.12131  2023.137       78.56390  443.6355 5.001543 445.3922 8.674191 
-1.756744      10.01284 
1 1 1 0   17 3  o 352.2364 4.386475 1262.408       31.41965  1271.308       
38.62044  1244.988       54.03250  353.4127 5.373827 349.5479 7.601458 
3.864807       9.309145 
1 1 1 0   17 4  o 336.2436 4.383931 1150.289       29.97569  1207.492       
53.20441  1123.687       36.28226  344.2823 7.599437 332.2797 5.369565 
12.00266       9.305036 
1 1 1 0   17 5  o 398.3094 4.858864 1614.193       39.35562  1590.429       
47.60279  1665.515       69.95692  395.3021 5.921775 404.3106 8.508719 
-9.008514      10.36657 
1 1 1 0   17 6  o 651.5148 6.792612 4320.696       89.99380  4324.270       
110.3386  4313.594       155.5384  651.6020 8.327098 650.2565 11.76255 
1.345520       14.41173 
1 1 1 0   17 7  o 430.2433 5.218819 1883.178       45.66021  1874.323       
78.77332  1887.658       56.03357  428.9928 9.029791 430.6945 6.397753 
-1.701752      11.06654 
1 1 1 0   17 8  o 273.8546 4.618460 762.8503       25.71987  790.8785       
31.76279  709.4742       43.83241  278.8132 5.602139 263.9854 8.165146 
14.82785       9.902201 
1 1 1 0   17 9  o 146.1857 5.688661 217.4307       16.91089  229.5642       
20.32125  190.1031       30.49707  150.1908 6.653582 136.1130 11.11513 
14.07787       12.95439 
1 1 1 0   17 10 o 207.8108 4.643390 439.3314       19.62251  450.3839       
26.67991  426.3080       28.96109  210.3629 6.236828 204.6386 6.959464 
5.724304       9.345168 
1 1 1 0   17 11 o 474.1261 5.842275 2288.154       56.32838  2324.485       
98.08949  2270.278       68.80420  477.3550 10.10484 472.1400 7.166263 
5.214966       12.38803 
1 1 1 0   17 12 o 403.7357 5.609684 1659.625       46.05608  1676.778       
56.29544  1624.909       80.08973  405.6836 6.823926 398.9189 9.872808 
6.764648       12.00160 
1 1 1 0   17 13 o 147.9698 5.861155 223.0698       17.63631  197.7416       
24.85906  248.7368       25.02477  138.8601 8.849607 155.9230 7.918382 
-17.06291      11.87503 
1 1 1 0   17 14 o 444.1366 5.076182 2009.521       45.84639  1957.021       
63.86811  2065.331       65.85051  437.8761 7.172679 449.8236 7.198889 
-11.94748      10.16225 
1 1 1 0   17 15 o 128.1973 6.504563 168.1725       16.90142  161.4636       
24.53164  174.2344       23.31888  125.1109 9.718551 130.1441 8.863926 
-5.033150      13.15368 
1 1 1 0   17 16 o 187.7404 5.419959 359.4903       20.69213  379.7718       
29.33937  339.4184       29.18740  192.6922 7.487473 182.1092 7.881558 
10.58298       10.87112 
1 1 1 0   17 17 o 84.07481 11.42301 74.29445       19.02415  32.65735       
33.79265  93.61334       23.01830  59.47314 21.61189 94.32916 12.29190 
-34.85602      24.86291 
1 1 1 0   17 18 o 115.1165 11.89749 138.7927       27.44943  139.1687       
39.52751  138.4425       38.14794  113.3375 17.73159 113.2752 17.09272 
0.6223297E-01  24.62865 
1 1 1 0   17 19 f 250.7598 6.277768 643.2519       32.01213  641.9214       
55.18299  643.9267       39.30092  248.9833 10.89892 250.5037 7.715022 
-1.520462      13.35321 
1 1 1 0   17 20 o 71.65500 13.79479 55.70986       19.37136  71.18649       
28.04189  41.58282       26.79136  79.95087 17.71393 61.67858 19.25669 
18.27230       26.16493 
1 1 1 0   17 21 o 131.8460 7.985986 180.2225       21.31051  158.9120       
30.26296  201.1835       30.01381  122.1310 12.35520 138.2740 10.75875 
-16.14304      16.38297 
1 1 1 0   17 22 o 72.12572 15.23153 59.13007       21.63941  28.60741       
39.73759  71.99693       25.80041  56.37729 22.65843 79.08410 16.57325 
-22.70681      28.07271 
1 1 1 0   17 23 o 36.81389 15.21120 7.770964       18.51158  6.797248       
24.85865  8.983106       27.73565  40.32026 17.19646 42.74511 18.19585 
-2.424854      25.03611 
1 1 1 0   18 0  o 369.8604 5.427899 1391.721       40.82451  1392.165       
57.72715  1391.276       57.74201  369.8108 7.676249 369.6925 7.680682 
0.1182861      10.85899 
1 1 1 0   18 1  o 199.8542 3.053506 406.2627       12.40976  390.0915       
17.28577  423.4621       17.82683  195.7996 4.341359 204.0042 4.297182 
-8.204590      6.108451 
1 1 1 0   18 2  o 345.4015 3.735143 1213.657       26.23511  1204.211       
36.86358  1223.353       37.34520  343.9659 5.270244 346.6871 5.297192 
-2.721191      7.472330 
1 1 1 0   18 3  o 761.3704 6.625263 5903.045       102.5771  5725.404       
114.9867  6595.354       227.0002  749.6577 7.542811 802.6982 13.90665 
-53.04053      15.82052 
1 1 1 0   18 4  o 359.7185 4.536886 1316.499       33.18732  1276.014       
39.64671  1411.280       60.66196  354.0916 5.506050 372.1939 8.014855 
-18.10239      9.723913 
1 1 1 0   18 5  o 155.7141 7.604799 246.9174       24.08058  0.000000       
0.000000  246.9174       24.08058  ?        ?        155.7141 7.604799 
0.000000       7.604799 
1 1 1 0   18 6  o 743.6125 9.271857 5633.245       140.2054  5633.245       
140.2054  0.000000       0.000000  743.6125 9.271857 ?        ?        
0.000000       9.271857 
1 1 1 0   18 7  o 382.9311 4.955232 1491.684       38.58656  1564.131       
68.71837  1458.322       46.63226  391.9239 8.622231 378.5786 6.057298 
13.34531       10.53725 
1 1 1 0   18 8  o 418.0736 4.525755 1777.884       38.47647  1834.706       
55.46385  1725.170       53.42151  424.6145 6.423382 411.7466 6.380207 
12.86792       9.053555 
1 1 1 0   18 9  o 246.4494 4.208709 617.7999       21.09250  609.4922       
29.54884  626.4306       30.11789  244.7390 5.937257 248.1154 5.969244 
-3.376404      8.419198 
1 1 1 0   18 10 o 187.9557 4.778063 359.4218       18.26244  383.9453       
25.58048  333.9297       26.08077  194.2112 6.477138 181.0999 7.081915 
13.11122       9.597231 
1 1 1 0   18 11 o 57.33043 14.65762 34.95649       17.15457  75.55117       
28.65656  12.28477       21.41568  84.24831 17.30580 43.55909 16.90209 
40.68922       24.19032 
1 1 1 0   18 12 o 458.6770 5.899974 2142.690       55.03114  2198.055       
67.85730  2036.315       94.05917  464.3781 7.185772 446.3720 10.36222 
18.00610       12.60995 
1 1 1 0   18 13 o 185.4858 6.094127 350.6454       22.98654  391.7627       
41.21881  332.0862       27.69255  195.3458 10.41382 180.3966 7.548892 
14.94919       12.86209 
1 1 1 0   18 14 o 247.8814 4.834649 625.9266       24.37027  620.0329       
34.37072  631.8852       34.55959  246.4782 6.857387 248.8266 6.829994 
-2.348358      9.678459 
1 1 1 0   18 15 o 160.7386 6.645540 263.8186       21.72211  266.8705       
38.60342  262.4045       26.27689  160.4919 11.91327 159.9407 8.105590 
0.5512085      14.40925 
1 1 1 0   18 16 o 222.9718 5.802909 507.3975       26.31159  485.0006       
45.26870  518.8241       32.33421  217.1355 10.25217 225.2665 7.058528 
-8.131012      12.44708 
1 1 1 0   18 17 o 97.27549 9.928960 98.41180       19.36544  118.1828       
35.16307  89.80450       23.20098  104.6375 17.11727 92.20966 12.71098 
12.42782       21.32064 
1 1 1 0   18 18 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 0   18 19 o 81.54220 13.38501 71.21439       21.42453  44.28650       
35.39816  86.78102       26.91390  65.07990 22.25120 89.57877 15.32563 
-24.49887      27.01835 
1 1 1 0   18 20 o 81.76965 11.90652 71.22468       19.21707  45.30293       
27.74680  95.12148       26.64101  63.90368 19.53909 93.84974 14.42079 
-29.94606      24.28447 
1 1 1 0   18 21 o 112.1643 9.270288 131.7265       20.95509  137.1587       
29.80386  126.4157       29.46891  112.8317 13.24116 108.0492 13.72129 
4.782486       19.06835 
1 1 1 0   18 22 f 43.59921 16.87697 16.49418       21.31223  -7.671729      
36.29758  29.20862       26.32842  43.03154 19.44552 52.36106 19.06882 
-9.329514      27.23505 
1 1 1 0   19 1  o 360.1870 5.381500 1320.493       39.41693  1320.493       
39.41693  0.000000       0.000000  360.1870 5.381500 ?        ?        
0.000000       5.381500 
1 1 1 0   19 2  o 90.75026 3.740354 83.77776       6.902589  68.62121       
9.361793  101.8325       10.21774  81.91190 5.654948 99.90501 5.045730 
-17.99311      7.578775 
1 1 1 0   19 3  o 71.84663 5.456356 52.83721       7.912322  53.43218       
10.13258  51.90750       12.66617  72.09789 6.999274 70.79417 9.001820 
1.303726       11.40275 
1 1 1 0   19 4  o 507.0602 5.562477 2616.512       57.35604  2617.232       
70.24273  2615.072       99.35429  507.0185 6.812809 506.4736 9.646691 
0.5448914      11.80987 
1 1 1 0   19 5  o 183.4108 4.206728 342.1862       15.68992  334.8498       
18.85324  358.7141       28.29789  181.4149 5.110478 187.7010 7.413718 
-6.286011      9.004455 
1 1 1 0   19 6  o 164.8199 4.408860 276.3269       14.77704  261.1489       
18.01340  307.5580       25.83933  160.2101 5.529099 173.8210 7.310174 
-13.61087      9.165673 
1 1 1 0   19 7  o 430.9234 4.545222 1888.872       39.82966  1894.864       
56.40231  1882.912       56.25328  431.5166 6.427588 430.1534 6.430921 
1.363220       9.092339 
1 1 1 0   19 8  o 945.2325 8.110960 9096.942       155.9058  9022.839       
218.8301  9173.329       222.1762  940.7363 11.43899 948.5309 11.51847 
-7.794617      16.23347 
1 1 1 0   19 9  o 641.9896 5.976960 4194.257       78.02967  4417.313       
115.3094  4005.831       105.9810  658.5318 8.610664 627.1491 8.310094 
31.38269       11.96667 
1 1 1 0   19 10 o 297.4053 4.422846 899.8613       26.74866  868.2230       
36.86909  935.0205       38.86651  292.0465 6.208105 303.0671 6.306455 
-11.02063      8.849403 
1 1 1 0   19 11 f 303.5109 5.287477 937.6677       32.63429  869.6819       
54.02789  976.7206       40.94827  291.9854 9.099249 309.6795 6.502370 
-17.69412      11.18379 
1 1 1 0   19 12 o 335.0980 6.816833 1144.548       46.45216  1176.821       
64.65001  1110.104       66.78872  339.4193 9.366570 329.5569 9.966007 
9.862366       13.67677 
1 1 1 0   19 13 o 190.3446 5.936323 369.2831       22.97786  302.8253       
38.94246  404.7786       28.46016  171.4742 11.22997 199.1857 7.026316 
-27.71153      13.24694 
1 1 1 0   19 14 o 291.0783 4.701594 863.1095       27.82957  921.7065       
40.75248  811.9039       38.09562  300.5085 6.668771 282.0457 6.642082 
18.46286       9.412213 
1 1 1 0   19 15 f 88.39072 8.822763 80.84462       15.64664  75.43325       
22.13295  86.25085       22.12244  84.39900 13.33915 90.61270 12.32569 
-6.213699      18.16192 
1 1 1 0   19 16 o 272.2849 4.867053 755.9216       26.94890  815.6370       
39.42028  703.5267       36.92498  282.4478 6.863255 262.3066 6.922445 
20.14111       9.748052 
1 1 1 0   19 17 o 83.56351 10.74981 73.24361       17.84349  87.76743       
26.45910  61.12855       24.16558  90.46655 14.90149 74.83126 16.33853 
15.63529       22.11339 
1 1 1 0   19 18 o 186.9752 6.717217 357.9082       25.54024  344.4624       
32.60950  379.2444       41.07790  182.9905 8.763227 191.2150 10.60573 
-8.224472      13.75775 
1 1 1 0   19 19 o 157.7329 8.045778 256.3972       25.72146  199.2185       
43.92741  286.2303       31.72981  136.1496 16.18297 166.2761 9.422704 
-30.12648      18.72635 
1 1 1 0   19 20 o 48.47494 15.87211 24.56639       18.03844  56.93024       
26.34546  -3.995538      24.74967  71.04631 18.16478 37.80766 16.63149 
33.23865       24.62855 
1 1 1 0   19 21 o 87.11278 11.39678 81.27794       19.70494  81.82826       
28.02627  80.73995       27.71039  85.06465 16.79791 84.52376 16.71396 
0.5408936      23.69655 
1 1 1 0   19 22 o 78.27299 14.25328 69.22697       21.85122  50.26397       
37.93362  78.64405       26.73186  64.14478 22.95161 82.20334 16.56387 
-18.05856      28.30439 
1 1 1 0   20 0  o 469.4865 6.349716 2242.684       60.62180  2252.890       
86.12224  2232.661       85.34737  470.3892 9.003399 468.2755 8.962667 
2.113708       12.70396 
1 1 1 0   20 1  o 368.5432 3.866158 1381.710       28.97474  1449.598       
42.31570  1321.784       39.75684  377.3904 5.513904 360.3748 5.425078 
17.01559       7.735283 
1 1 1 0   20 2  o 487.3529 4.635307 2416.602       45.93815  2353.567       
63.66410  2485.073       66.35194  480.7951 6.511532 494.0352 6.604566 
-13.24008      9.274715 
1 1 1 0   20 3  o 359.8805 3.903036 1317.445       28.56356  1349.182       
33.54153  1233.690       54.48857  364.1612 4.529370 348.0281 7.699094 
16.13303       8.932594 
1 1 1 0   20 4  o 303.6234 4.223508 937.7733       26.07714  921.8467       
31.73154  970.9066       45.76791  300.9979 5.184136 308.7958 7.288503 
-7.797913      8.944134 
1 1 1 0   20 5  o 515.8770 7.004322 2709.009       73.47908  2709.009       
73.47908  0.000000       0.000000  515.8770 7.004322 ?        ?        
0.000000       7.004322 
1 1 1 0   20 6  o 404.6209 4.998095 1665.510       41.12484  1623.498       
49.69683  1756.778       73.24825  399.4324 6.118345 415.3389 8.672477 
-15.90652      10.61348 
1 1 1 0   20 7  o 248.7287 4.454727 629.2917       22.53193  630.1995       
27.78654  627.5488       38.50335  248.8814 5.490232 248.2853 7.625987 
0.5961304      9.396719 
1 1 1 0   20 8  o 406.1994 5.175914 1678.654       42.75410  1702.637       
53.17481  1634.799       71.90519  409.0261 6.392982 400.6284 8.826063 
8.397644       10.89815 
1 1 1 0   20 9  o 158.2327 6.861348 254.8961       22.07788  239.4550       
33.28237  267.0300       29.50369  152.8474 10.77694 161.6311 9.012218 
-8.783722      14.04858 
1 1 1 0   20 10 o 345.4301 5.282865 1214.365       37.10915  1197.826       
63.49343  1222.946       45.73331  342.7527 9.109542 346.5656 6.489268 
-3.812988      11.18456 
1 1 1 0   20 11 o 115.7584 8.088737 137.3031       18.92109  93.44459       
31.23252  162.7325       23.78197  93.87365 16.98640 125.9234 9.354123 
-32.04971      19.39169 
1 1 1 0   20 12 o 145.2639 6.800136 215.1367       20.08754  203.6643       
24.44615  238.9858       35.24673  140.9690 8.568407 152.3037 11.46447 
-11.33466      14.31264 
1 1 1 0   20 13 o 101.1682 9.088111 105.5414       18.49742  62.07432       
32.24638  126.8586       22.58217  75.67162 20.46334 110.8194 10.13285 
-35.14781      22.83468 
1 1 1 0   20 14 o 38.36831 14.11592 12.21097       14.48025  36.93213       
20.31371  -13.32733      20.64670  58.68578 16.39146 31.54471 14.41503 
27.14107       21.82826 
1 1 1 0   20 15 o 132.0147 6.456879 177.9969       17.33390  177.2134       
24.29993  178.8085       24.73351  131.1145 9.171638 131.6815 9.296263 
-0.5670166     13.05907 
1 1 1 0   20 16 f 127.0774 6.879204 165.6353       17.71078  162.9195       
25.10017  168.3282       24.99380  125.4400 9.920821 127.5649 9.707818 
-2.124908      13.88036 
1 1 1 0   20 17 o 318.8048 5.052040 1037.195       32.75240  1009.156       
46.05779  1065.878       46.58447  313.8705 7.216076 322.6088 7.100902 
-8.738281      10.12396 
1 1 1 0   20 18 o 170.1210 6.984500 296.5504       24.16265  263.0774       
30.18749  356.2316       40.30865  159.4848 9.348845 185.1866 10.75004 
-25.70175      14.24655 
1 1 1 0   20 19 o 159.9184 7.968185 262.9973       25.91250  223.5217       
44.01823  283.9318       32.05531  144.6006 15.19699 165.4879 9.566180 
-20.88725      17.95718 
1 1 1 0   20 20 o 74.36749 13.25648 60.03675       19.31253  26.19305       
27.35750  93.65646       27.26682  52.63225 19.39671 92.62167 14.98880 
-39.98942      24.51319 
1 1 1 0   20 21 f 109.1320 9.025534 125.0100       19.85003  97.51634       
27.77027  153.7327       28.38415  93.66949 15.09186 119.8336 11.80098 
-26.16412      19.15796 
1 1 1 0   20 22 o 130.6342 9.170040 180.9527       24.20577  174.4552       
41.15975  184.3879       29.92826  122.4666 16.98462 130.4408 11.39724 
-7.974182      20.45420 
1 1 1 0   21 1  o 253.5849 3.308699 654.0542       17.06208  641.3947       
23.91728  667.1730       24.34731  251.0764 4.684405 256.0726 4.675591 
-4.996155      6.618520 
1 1 1 0   21 2  o 428.0429 4.261212 1863.920       37.09128  1868.671       
52.62498  1859.230       52.28663  428.4730 6.039723 427.3911 6.016083 
1.081909       8.524758 
1 1 1 0   21 3  o 110.5797 3.842725 124.3793       8.641046  122.7673       
10.20740  128.4563       16.23299  109.8516 4.569381 112.0943 7.158740 
-2.242638      8.492750 
1 1 1 0   21 4  o 415.6577 4.290515 1757.477       36.26575  1749.161       
41.81339  1782.728       72.86022  414.6416 4.958966 418.3506 8.564434 
-3.708954      9.896508 
1 1 1 0   21 5  o 252.7505 4.322598 649.8110       22.21715  695.3795       
39.90332  629.3384       26.74626  261.3524 7.508118 248.7113 5.288300 
12.64110       9.183570 
1 1 1 0   21 6  o 474.5314 5.500754 2291.029       53.08094  2317.614       
93.47603  2278.376       64.48687  476.9594 9.637567 473.1455 6.702320 
3.813934       11.73899 
1 1 1 0   21 7  o 206.7265 8.347602 435.1856       35.09209  435.1856       
35.09209  0.000000       0.000000  206.7265 8.347602 ?        ?        
0.000000       8.347602 
1 1 1 0   21 8  o 432.6445 4.674391 1904.225       41.12516  1899.796       
58.08408  1908.678       58.23575  432.0244 6.611461 433.0330 6.613285 
-1.008606      9.351307 
1 1 1 0   21 9  o 96.06584 7.197115 94.50484       13.95761  100.6885       
20.34558  89.00729       19.18372  98.82868 10.27377 92.84573 10.33604 
5.982956       14.57340 
1 1 1 0   21 10 o 290.8620 4.492181 860.8459       26.57025  858.8314       
37.35041  862.9097       37.80573  290.4131 6.324522 291.0975 6.386570 
-0.6844177     8.988207 
1 1 1 0   21 11 o 330.4166 4.639256 1111.245       31.17178  1108.723       
43.93245  1113.802       44.23622  329.8663 6.549317 330.6177 6.579616 
-0.7513428     9.283582 
1 1 1 0   21 12 f 416.7109 5.654250 1769.275       47.91387  1873.515       
61.05799  1602.200       77.30025  428.5724 7.005948 395.7725 9.604700 
32.79987       11.88838 
1 1 1 0   21 13 o 255.1903 5.620120 663.8531       29.16495  573.5599       
47.96785  716.8089       36.73495  236.5468 9.971988 265.0123 6.816507 
-28.46552      12.07913 
1 1 1 0   21 14 o 164.4240 6.271852 275.9550       20.97068  251.3691       
25.58376  326.3003       36.61008  156.5268 8.064974 177.9549 10.15884 
-21.42810      12.97096 
1 1 1 0   21 15 o 48.74154 15.10171 24.76862       16.51279  22.54777       
20.76434  28.58957       27.23603  48.74016 17.02284 55.00186 19.47255 
-6.261703      25.86421 
1 1 1 0   21 16 o 228.5213 5.730345 533.2770       26.62925  544.8707       
33.75927  514.1832       43.32406  230.7051 7.195891 223.5428 9.530530 
7.162247       11.94202 
1 1 1 0   21 17 o 38.17146 15.33852 7.837117       18.20625  -6.515589      
22.80099  33.08666       30.24221  35.62615 15.80319 58.09026 20.52410 
-22.46412      25.90327 
1 1 1 0   21 18 o 68.36758 14.64354 50.94869       19.74519  54.10722       
25.55640  46.27105       31.10077  69.81061 17.91334 65.26563 20.79659 
4.544975       27.44787 
1 1 1 0   21 19 o 203.9742 8.100635 428.3460       33.60049  484.0293       
50.97955  385.5777       44.67808  215.0908 11.69928 192.0033 11.49573 
23.08754       16.40198 
1 1 1 0   21 20 o 91.82185 12.22872 90.26998       22.26609  87.62597       
29.10474  94.00133       34.57515  88.59347 16.76923 90.61987 19.35079 
-2.026398      25.60586 
1 1 1 0   21 21 o 121.4569 9.423369 155.4588       23.09226  131.1169       
28.53037  201.6969       39.32148  109.7273 13.04159 135.3707 14.51030 
-25.64339      19.50979 
1 1 1 0   21 22 o 48.30795 17.03054 25.87058       20.81197  3.316538       
26.16141  64.74744       34.34745  39.81265 17.31468 70.57564 21.76604 
-30.76299      27.81292 
1 1 1 0   22 0  o 664.3773 11.76192 4496.973       158.9075  0.000000       
0.000000  4496.973       158.9075  ?        ?        664.3773 11.76192 
0.000000       11.76192 
1 1 1 0   22 1  o 147.4510 3.738320 221.1518       11.20923  248.0753       
20.04498  208.9019       13.52089  156.1111 6.314229 143.2937 4.640096 
12.81746       7.835814 
1 1 1 0   22 2  o 124.2369 3.948945 157.0027       9.976615  147.6436       
17.15009  161.7897       12.26553  120.2158 7.046196 126.1042 4.783053 
-5.888420      8.516247 
1 1 1 0   22 3  o 604.1226 7.744660 3716.445       95.14345  3593.089       
130.7327  3855.354       138.7294  593.5840 10.83055 614.8207 11.09606 
-21.23669      15.50559 
1 1 1 0   22 4  o 426.0023 6.139894 1846.829       53.18929  1846.829       
53.18929  0.000000       0.000000  426.0023 6.139894 ?        ?        
0.000000       6.139894 
1 1 1 0   22 5  o 280.5430 4.334798 800.5712       24.72975  821.8484       
30.98105  763.2080       41.05452  284.2155 5.360398 273.8110 7.373244 
10.40448       9.115843 
1 1 1 0   22 6  o 250.9068 4.519637 640.3858       23.06043  677.4511       
41.56506  623.9035       27.71748  257.9457 7.924076 247.6300 5.504263 
10.31577       9.648206 
1 1 1 0   22 7  o 244.8643 5.699442 610.1058       28.37980  610.1058       
28.37980  0.000000       0.000000  244.8643 5.699442 ?        ?        
0.000000       5.699442 
1 1 1 0   22 8  o 736.6942 6.612494 5524.827       99.06129  5494.216       
139.4728  5555.990       140.7232  734.2109 9.341515 738.3210 9.372793 
-4.110046      13.23303 
1 1 1 0   22 9  o 298.4229 4.372888 906.0739       26.53701  908.8099       
37.55393  903.3451       37.50412  298.7779 6.180954 297.8776 6.191413 
0.9003296      8.748588 
1 1 1 0   22 10 o 174.0827 5.121600 308.4740       18.13062  286.1976       
25.48352  331.3080       25.80057  167.5732 7.478309 180.3212 7.036082 
-12.74805      10.26799 
1 1 1 0   22 11 o 143.5032 8.293748 210.8835       24.09951  210.8835       
24.09951  0.000000       0.000000  143.5032 8.293748 ?        ?        
0.000000       8.293748 
1 1 1 0   22 12 o 227.7143 5.457269 528.3648       25.27069  551.5721       
32.48805  492.8130       40.21078  232.5157 6.871002 219.5144 9.007992 
13.00122       11.32937 
1 1 1 0   22 13 o 161.1400 6.505374 265.0114       21.31704  264.0400       
37.47436  265.4761       25.91908  159.7826 11.61269 161.1362 7.909972 
-1.353653      14.05070 
1 1 1 0   22 14 o 145.3601 5.970391 215.6498       17.64816  210.7590       
24.74488  220.7130       25.17726  143.1724 8.537968 146.5361 8.485452 
-3.363770      12.03743 
1 1 1 0   22 15 o 161.3627 8.413658 267.7314       27.51267  0.000000       
0.000000  267.7314       27.51267  ?        ?        161.3627 8.413658 
0.000000       8.413658 
1 1 1 0   22 16 o 200.7840 5.386601 411.5710       21.99355  405.2473       
30.50763  418.4141       31.73587  198.8480 7.544592 202.0137 7.725348 
-3.165710      10.79823 
1 1 1 0   22 17 o 109.5881 8.395030 124.1777       18.56615  130.1614       
26.21528  118.1562       26.29792  111.3471 11.75546 105.8254 12.45891 
5.521690       17.12937 
1 1 1 0   22 18 o 245.5550 6.126991 617.0903       30.59479  581.4088       
37.69840  685.9370       52.36513  237.8732 7.793380 257.5032 10.00019 
-19.62996      12.67835 
1 1 1 0   22 19 o 124.6854 9.399620 161.7949       23.65767  179.0507       
43.01091  154.3097       28.32782  128.0825 16.92824 121.0057 11.65632 
7.076790       20.55323 
1 1 1 0   22 20 o 92.85633 10.77209 91.49491       19.96270  69.56474       
28.90191  111.5021       27.60571  77.79388 18.53371 101.3922 13.74301 
-23.59827      23.07312 
1 1 1 0   22 21 f 85.44276 16.67394 84.14471       27.93110  84.14471       
27.93110  0.000000       0.000000  85.44276 16.67394 ?        ?        
0.000000       16.67394 
1 1 1 0   22 22 o 77.85117 12.28068 67.75676       18.79742  78.46371       
27.16280  57.91677       26.03987  80.74021 17.07712 68.30468 18.35442 
12.43553       25.07016 
1 1 1 0   23 1  o 264.5618 3.396604 711.8800       18.27357  713.1451       
25.94490  710.6346       25.74176  264.7563 4.818972 264.2908 4.789661 
0.4654236      6.794361 
1 1 1 0   23 2  o 326.8190 4.281992 1086.518       28.45802  1048.745       
48.51632  1106.331       35.13763  320.9386 7.433860 329.7475 5.240100 
-8.808929      9.095104 
1 1 1 0   23 3  o 552.0042 7.246367 3102.068       81.34185  3164.627       
117.0487  3043.637       113.1213  557.1818 10.33043 546.4470 10.17993 
10.73474       14.50340 
1 1 1 0   23 4  o 83.79156 9.932572 72.54697       16.59492  72.54697       
16.59492  0.000000       0.000000  83.79156 9.932572 ?        ?        
0.000000       9.932572 
1 1 1 0   23 5  o 471.9056 6.611148 2266.518       63.44297  2207.466       
88.18036  2329.888       91.34723  465.4918 9.315547 478.2175 9.393306 
-12.72571      13.22927 
1 1 1 0   23 6  o 198.6610 5.667680 401.5808       22.89651  0.000000       
0.000000  401.5808       22.89651  ?        ?        198.6610 5.667680 
0.000000       5.667680 
1 1 1 0   23 7  o 431.1564 5.325813 1891.529       46.69519  1794.321       
77.54498  1946.830       58.48827  419.6343 9.087224 437.3286 6.576722 
-17.69421      11.21744 
1 1 1 0   23 8  o 357.5150 4.448384 1300.395       32.34060  1375.353       
47.13337  1233.708       44.45691  367.5616 6.305898 348.1218 6.279956 
19.43973       8.899562 
1 1 1 0   23 9  o 240.7064 4.426169 589.5469       21.66541  626.5228       
31.32343  555.6329       29.99854  248.0511 6.209789 233.5908 6.315285 
14.46024       8.856878 
1 1 1 0   23 10 o 648.5811 6.111009 4284.886       80.59880  4326.206       
115.0692  4245.090       112.9288  651.0965 8.690848 644.9856 8.610003 
6.110901       12.23368 
1 1 1 0   23 11 o 351.7070 4.643018 1259.427       33.20724  1260.938       
46.94144  1257.912       46.98286  351.6800 6.563831 351.2557 6.577558 
0.4242249      9.292370 
1 1 1 0   23 12 o 314.4293 5.266932 1007.455       33.67690  1035.641       
42.54980  960.1914       55.09896  318.6027 6.567449 306.3514 8.844475 
12.25125       11.01618 
1 1 1 0   23 13 o 103.5652 8.723423 110.6219       18.20075  130.0564       
32.42945  101.6851       21.99082  111.0300 14.72645 98.80831 11.13887 
12.22168       18.46464 
1 1 1 0   23 14 o 100.4166 7.975304 103.9005       16.15151  79.67928       
22.13867  131.4628       23.61623  86.81063 12.93591 112.5507 10.43711 
-25.74002      16.62140 
1 1 1 0   23 15 o 161.5008 5.877445 266.3878       19.30255  239.4439       
26.44423  297.1155       28.24003  152.5006 8.561862 170.2092 8.158883 
-17.70859      11.82679 
1 1 1 0   23 16 o 52.04851 14.30666 29.28802       15.61146  56.87327       
21.88153  0.6896300      22.27974  72.25116 15.36568 38.00983 16.24725 
34.24133       22.36241 
1 1 1 0   23 17 o 147.0844 6.823353 221.6845       20.40872  234.5620       
28.77028  208.6410       28.95518  150.4790 9.449904 141.6945 10.11545 
8.784485       13.84280 
1 1 1 0   23 18 o 240.3313 6.197155 591.4220       30.28685  583.7244       
38.51554  603.8938       49.02563  238.2235 7.950602 241.5059 9.982607 
-3.282455      12.76184 
1 1 1 0   23 19 o 52.12010 17.47392 28.41102       21.82583  -16.49659      
38.44227  49.77272       26.51349  43.55276 19.81181 66.38827 18.79152 
-22.83551      27.30621 
1 1 1 0   23 20 o 134.0868 7.942795 186.8228       21.56111  175.5619       
31.42206  196.8425       29.63995  128.1119 12.20901 136.4422 10.77017 
-8.330322      16.28056 
1 1 1 0   23 21 o 131.9669 7.768178 182.1481       20.75467  195.7851       
29.96609  169.5751       28.77331  134.9805 11.01309 125.3174 11.41608 
9.663101       15.86238 
1 1 1 0   23 22 o 63.52270 14.25514 47.21895       17.96178  37.79924       
25.63028  56.31009       25.17932  55.42141 18.93396 67.12484 18.05332 
-11.70343      26.16137 
1 1 1 0   24 0  o 601.8235 7.692307 3685.358       94.14065  3754.287       
135.2508  3620.579       131.1155  607.1957 10.95367 596.2965 10.81285 
10.89923       15.39157 
1 1 1 0   24 1  o 482.3717 4.626549 2367.089       45.38271  2339.741       
63.70654  2395.267       64.66589  479.4511 6.534137 485.1052 6.555229 
-5.654053      9.255592 
1 1 1 0   24 2  o 355.9861 3.885239 1288.979       28.12563  1313.736       
40.28387  1265.432       39.28619  359.3222 5.513098 352.6561 5.478189 
6.666077       7.772053 
1 1 1 0   24 3  o 296.2542 4.199478 892.7507       25.29946  904.4259       
31.32012  870.8290       42.91700  298.1534 5.165737 292.4761 7.215851 
5.677277       8.874308 
1 1 1 0   24 4  o 176.6965 4.278118 317.5866       15.37207  317.5866       
15.37207  0.000000       0.000000  176.6965 4.278118 ?        ?        
0.000000       4.278118 
1 1 1 0   24 5  o 33.62191 11.82874 10.08661       10.03500  -0.7246817     
12.98643  26.10979       15.80976  28.93069 12.38628 50.09588 14.61504 
-21.16519      19.15775 
1 1 1 0   24 6  o 549.8430 7.463464 3078.348       83.45081  0.000000       
0.000000  3078.348       83.45081  ?        ?        549.8430 7.463464 
0.000000       7.463464 
1 1 1 0   24 7  o 125.4067 5.346563 160.0399       13.63474  133.2973       
18.62269  190.9390       20.01766  114.1046 8.078005 136.7414 7.224469 
-22.63682      10.83730 
1 1 1 0   24 8  f 162.3398 4.925535 268.1880       16.26034  252.2202       
22.84527  284.5830       23.14893  157.3595 7.139242 167.1638 6.809847 
-9.804337      9.866245 
1 1 1 0   24 9  o 334.0903 4.462634 1135.855       30.31842  1141.251       
42.85074  1130.445       42.90274  334.7405 6.295042 333.1485 6.332799 
1.592010       8.929273 
1 1 1 0   24 10 o 409.8786 4.816785 1710.375       40.14800  1691.991       
56.78123  1728.755       56.77446  407.4012 6.853795 411.8151 6.779527 
-4.413879      9.640358 
1 1 1 0   24 11 o 138.5632 6.045498 195.7242       17.03458  189.7797       
24.17882  201.5826       24.00320  135.9675 8.791845 140.1964 8.459011 
-4.228867      12.20047 
1 1 1 0   24 12 o 370.0388 5.470071 1395.911       41.16154  1445.488       
52.35386  1315.659       66.60990  376.2738 6.842161 358.4024 9.139374 
17.87140       11.41680 
1 1 1 0   24 13 o 316.3503 6.616710 1022.251       42.56589  0.000000       
0.000000  1022.251       42.56589  ?        ?        316.3503 6.616710 
0.000000       6.616710 
1 1 1 0   24 14 o 383.6552 5.582856 1502.258       43.55610  1459.384       
73.29491  1525.665       54.15576  376.7678 9.566402 386.2502 6.894846 
-9.482391      11.79216 
1 1 1 0   24 15 o 32.85479 14.03209 0.2011511      16.59377  -21.54049      
28.39025  11.48277       20.45073  35.73324 16.53578 41.85097 16.43785 
-6.117729      23.31598 
1 1 1 0   24 16 o 110.5396 9.077726 126.6809       20.22526  141.4605       
32.59828  117.4307       25.78915  115.3327 14.19911 105.5602 12.24116 
9.772545       18.74728 
1 1 1 0   24 17 o 54.45313 16.13811 32.12166       19.14501  3.253485       
31.98632  48.23682       23.89857  45.69684 19.49851 65.93328 17.52418 
-20.23644      26.21619 
1 1 1 0   24 18 f 39.69342 16.30670 6.954867       21.11682  -21.06472      
35.14920  22.77978       26.41528  40.49617 18.61710 50.78031 18.99164 
-10.28414      26.59472 
1 1 1 0   24 19 f 159.8871 8.251342 264.8568       26.73660  311.7532       
50.64657  246.7382       31.48064  170.1369 14.78564 153.5777 10.13709 
16.55919       17.92696 
1 1 1 0   24 20 o 127.2431 12.39841 174.1977       31.67374  174.1977       
31.67374  0.000000       0.000000  127.2431 12.39841 ?        ?        
0.000000       12.39841 
1 1 1 0   24 21 o 34.50593 14.59478 4.054653       17.65267  -7.132123      
25.75668  13.96395       24.24146  36.18842 16.36432 43.32439 17.59685 
-7.135963      24.02998 
1 1 1 0   25 1  o 689.2301 6.080556 4834.358       85.22342  4867.452       
121.3985  4802.202       119.6683  691.2705 8.636027 686.6309 8.570465 
4.639648       12.16692 
1 1 1 0   25 2  o 34.76528 9.933110 12.60552       7.372492  17.65388       
9.240919  3.765688       12.22818  40.90345 10.90917 30.77748 12.49890 
10.12598       16.59014 
1 1 1 0   25 3  o 156.2036 4.112240 248.1875       13.06234  261.3085       
16.23797  224.1270       21.98879  160.2642 4.982461 148.3746 7.287698 
11.88963       8.828107 
1 1 1 0   25 4  o 571.6197 6.151278 3325.353       71.50295  3325.353       
71.50295  0.000000       0.000000  571.6197 6.151278 ?        ?        
0.000000       6.151278 
1 1 1 0   25 5  o 302.7171 3.932306 932.1135       24.20670  912.3138       
28.03203  990.1724       48.00203  299.4625 4.603208 311.8338 7.569810 
-12.37128      8.859546 
1 1 1 0   25 6  o 370.1902 4.905539 1394.352       36.92862  1367.911       
45.01451  1448.772       64.57959  366.5980 6.038248 377.0908 8.421665 
-10.49274      10.36267 
1 1 1 0   25 7  o 215.8661 4.282486 474.0847       18.79888  430.5883       
25.59983  524.9916       27.69484  205.6597 6.121198 227.0938 5.997113 
-21.43405      8.569389 
1 1 1 0   25 8  o 331.6636 4.342435 1119.293       29.28752  1090.435       
40.72296  1150.211       42.15158  327.2389 6.119600 336.0847 6.167565 
-8.845764      8.688404 
1 1 1 0   25 9  o 297.9161 4.407605 903.2964       26.70227  888.4210       
37.26474  918.9944       38.28119  295.3125 6.205328 300.3450 6.267778 
-5.032501      8.819928 
1 1 1 0   25 10 o 182.8816 5.657633 340.7553       21.04051  347.6130       
35.41956  337.0158       26.15553  184.1338 9.491571 181.7714 7.075978 
2.362350       11.83889 
1 1 1 0   25 11 o 114.9657 6.848331 135.3639       15.93792  158.2124       
23.07061  114.5042       22.04369  123.9863 9.216157 105.1591 10.44653 
18.82716       13.93081 
1 1 1 0   25 12 o 37.39048 14.26625 10.19009       15.07781  7.430177       
19.53935  14.25261       23.70611  39.24440 15.84766 45.70345 17.76935 
-6.459053      23.80963 
1 1 1 0   25 13 f 214.1724 5.714128 468.1303       24.88656  429.4982       
42.45300  488.3570       30.71824  204.0538 10.26362 218.5623 6.911458 
-14.50847      12.37377 
1 1 1 0   25 14 o 42.47095 14.29851 17.74341       14.61468  13.71487       
19.86353  22.49804       21.57950  42.76470 16.36078 48.96176 17.33305 
-6.197060      23.83505 
1 1 1 0   25 15 o 100.0585 8.294542 103.5225       16.72492  101.6286       
24.54067  105.1650       22.85445  98.07820 12.59552 100.1195 11.43025 
-2.041321      17.00875 
1 1 1 0   25 16 o 28.64365 13.01097 -9.115788      16.50375  0.4686100      
23.35565  -18.67426      23.32404  38.66321 16.58353 32.10240 14.90220 
6.560810       22.29549 
1 1 1 0   25 17 o 180.6252 6.059208 333.9915       22.25593  327.7288       
31.57733  340.1735       31.37293  178.2798 8.710073 181.6960 8.490993 
-3.416153      12.16398 
1 1 1 0   25 18 o 262.8785 5.496134 707.0907       29.38081  682.4804       
40.60641  734.1313       42.56417  257.4608 7.755897 266.9895 7.839685 
-9.528656      11.02790 
1 1 1 0   25 19 o 43.01620 16.11678 16.19807       19.04002  -14.12481      
27.50375  44.10308       26.38443  36.40915 16.63774 62.37038 19.05050 
-25.96122      25.29300 
1 1 1 0   25 20 o 144.0972 7.473828 215.9044       21.82511  257.4121       
32.24706  180.8196       29.64730  155.9076 10.22787 129.9623 11.33139 
25.94530       15.26466 
1 1 1 0   25 21 o 24.69293 11.82072 -20.36225      16.88646  -33.11398      
23.93621  -7.727356      23.82630  28.04565 13.58674 34.39878 15.62824 
-6.353130      20.70848 
1 1 1 0   26 0  o 782.3017 9.569899 6229.652       152.2415  6210.286       
214.7755  6249.210       215.8324  780.6419 13.52949 783.0814 13.55371 
-2.439453      19.15072 
1 1 1 0   26 1  o 76.75720 4.785825 60.17127       7.432914  66.51253       
10.44569  53.66706       10.57904  80.58275 6.427942 72.23605 7.302065 
8.346703       9.728237 
1 1 1 0   26 2  o 431.2158 5.016543 1891.839       43.98966  1895.179       
53.97103  1885.230       75.92599  431.5279 6.150358 430.1921 8.679137 
1.335754       10.63740 
1 1 1 0   26 3  o 502.6452 5.602237 2570.939       57.26305  2570.939       
57.26305  0.000000       0.000000  502.6452 5.602237 ?        ?        
0.000000       5.602237 
1 1 1 0   26 4  o 330.4495 3.960297 1110.742       26.61242  1093.703       
30.65993  1162.798       53.59064  327.8813 4.598361 337.9011 7.799162 
-10.01974      9.053831 
1 1 1 0   26 5  f 361.1252 4.157520 1326.646       30.53118  1303.229       
35.11122  1399.252       61.82477  357.8926 4.824383 370.6064 8.203481 
-12.71375      9.516920 
1 1 1 0   26 6  o 207.9167 4.704886 439.8611       19.89253  436.8222       
25.12314  444.9681       32.56909  207.1517 5.963951 208.9950 7.663344 
-1.843292      9.710589 
1 1 1 0   26 7  o 315.6359 4.247854 1013.662       27.26512  1017.981       
38.52312  1009.327       38.59439  316.2001 5.991120 314.8505 6.027931 
1.349579       8.498793 
1 1 1 0   26 8  o 403.7165 4.627861 1658.834       37.99341  1642.137       
53.23844  1676.162       54.23706  401.4846 6.520862 405.6159 6.575515 
-4.131287      9.260617 
1 1 1 0   26 9  o 85.83848 8.124275 75.86873       14.01266  55.48327       
19.56684  97.33055       20.07677  72.30051 13.81211 97.00089 10.33736 
-24.70038      17.25211 
1 1 1 0   26 10 f 84.12595 9.528340 73.34092       16.01297  63.34158       
26.30235  79.22974       20.18473  76.63737 17.28873 87.08838 11.69292 
-10.45101      20.87162 
1 1 1 0   26 11 o 225.5019 4.703331 518.0571       21.56786  523.0460       
30.53921  513.0928       30.46405  226.3646 6.634343 224.1942 6.682083 
2.170425       9.416195 
1 1 1 0   26 12 o 175.3403 5.186228 313.4948       18.49204  344.7759       
26.68443  284.5927       25.64964  183.6443 7.145440 166.7937 7.562237 
16.85062       10.40407 
1 1 1 0   26 13 o 77.87214 11.24234 63.84554       17.28729  57.82453       
29.80374  66.89838       21.22209  72.46751 19.70495 79.14920 13.68016 
-6.681694      23.98816 
1 1 1 0   26 14 o 153.5087 5.780116 240.7240       18.04351  221.8139       
25.12663  260.8579       25.92694  146.7297 8.456849 159.2571 8.031603 
-12.52748      11.66297 
1 1 1 0   26 15 o 101.8930 8.090738 107.3194       16.62629  97.10872       
22.62190  119.3141       24.51872  95.97983 11.84146 106.6263 11.48935 
-10.64651      16.49925 
1 1 1 0   26 16 o 158.2088 7.303468 256.9496       23.49693  225.6543       
38.20566  275.9876       29.79886  146.2418 12.98207 163.3228 9.007070 
-17.08107      15.80068 
1 1 1 0   26 17 o 107.5509 9.019916 120.2864       19.54514  147.3455       
27.36154  92.09294       27.92920  118.3341 11.51641 91.94501 15.48800 
26.38911       19.30041 
1 1 1 0   26 18 o 87.48619 11.15462 81.18553       19.39319  74.37071       
26.92006  88.53801       27.96182  81.67166 16.77041 89.64860 15.92129 
-7.976936      23.12432 
1 1 1 0   26 19 o 42.41844 16.06565 15.46006       19.03280  1.189040       
26.89111  29.78500       26.94186  40.77855 17.64431 53.80869 19.33313 
-13.03014      26.17425 
1 1 1 0   26 20 o 43.50703 16.01642 18.49327       18.64593  14.58537       
27.24538  21.93606       25.57269  45.53938 18.59371 48.24178 18.53815 
-2.702400      26.25622 
1 1 1 0   26 21 o 87.29980 10.66970 83.40839       18.54740  99.89221       
26.52061  67.62779       25.94872  93.06456 14.48466 74.24270 17.47737 
18.82186       22.69942 
1 1 1 0   27 1  o 135.1656 4.191290 185.8473       11.52034  179.4066       
14.01751  199.2511       20.22180  132.7863 5.191183 139.7110 7.141535 
-6.924713      8.828924 
1 1 1 0   27 2  o 248.9316 4.063594 630.3403       20.57035  649.5156       
25.44335  594.1542       34.95221  252.6622 4.952021 241.5696 7.115099 
11.09265       8.668745 
1 1 1 0   27 3  o 195.2763 5.384814 388.0371       21.38315  388.0371       
21.38315  0.000000       0.000000  195.2763 5.384814 ?        ?        
0.000000       5.384814 
1 1 1 0   27 4  o 155.1497 4.660537 244.9101       14.70409  265.8453       
19.12790  214.6667       22.99025  161.6154 5.820136 144.9580 7.828222 
16.65733       9.754745 
1 1 1 0   27 5  f 277.1212 4.519307 781.3670       25.46789  755.9491       
31.26158  831.5276       43.91592  272.5251 5.640959 285.7042 7.558818 
-13.17905      9.431657 
1 1 1 0   27 6  o 305.0339 7.865089 948.2633       48.78690  0.000000       
0.000000  948.2633       48.78690  ?        ?        305.0339 7.865089 
0.000000       7.865089 
1 1 1 0   27 7  o 200.4255 6.188488 409.1295       25.22255  409.1295       
25.22255  0.000000       0.000000  200.4255 6.188488 ?        ?        
0.000000       6.188488 
1 1 1 0   27 8  o 235.6166 4.373541 565.0412       20.95514  570.4557       
29.49642  559.5237       29.77563  236.6255 6.129942 234.3380 6.248372 
2.287521       8.753190 
1 1 1 0   27 9  o 216.3294 4.506395 476.4756       19.82423  454.0054       
27.78126  499.7883       28.29724  211.0149 6.474217 221.4169 6.284662 
-10.40193      9.022886 
1 1 1 0   27 10 f 135.6187 6.519153 187.6640       17.97885  169.2122       
29.94164  198.0682       22.48334  127.7787 11.65109 138.9796 7.988941 
-11.20082      14.12697 
1 1 1 0   27 11 f 256.6436 5.556354 671.7615       28.99825  684.3099       
34.39853  640.9407       53.91005  258.8777 6.534222 249.6746 10.61803 
9.203064       12.46750 
1 1 1 0   27 12 o 101.2175 7.441435 105.3983       15.20924  94.81424       
21.12539  116.7878       21.91455  95.26200 11.11414 106.0372 10.29268 
-10.77517      15.14804 
1 1 1 0   27 13 o 210.7944 5.816921 453.8362       24.93467  409.5781       
42.82377  476.5374       30.66991  198.9388 10.62400 215.7867 6.989346 
-16.84789      12.71693 
1 1 1 0   27 14 o 108.7624 7.571799 121.8921       16.64226  114.6866       
23.31352  129.3790       23.76436  104.6726 11.12320 111.3754 10.62138 
-6.702774      15.37983 
1 1 1 0   27 15 o 179.0143 5.558345 327.5740       20.23414  318.7207       
27.80592  337.5389       29.49995  176.1346 7.763204 181.2006 8.005904 
-5.065918      11.15176 
1 1 1 0   27 16 o 160.8214 7.222076 265.6068       23.61878  314.9771       
39.16924  237.3996       29.60687  173.6114 11.15373 151.1535 9.683056 
22.45787       14.77048 
1 1 1 0   27 17 o 96.84433 9.864445 98.23818       19.15545  122.0747       
26.23471  71.01884       28.03457  107.2759 12.24546 79.59598 17.76991 
27.67993       21.58057 
1 1 1 0   27 18 o 150.5140 7.134175 233.2478       21.83595  213.8730       
30.80351  252.8180       30.95847  142.6585 10.69606 155.5434 9.838294 
-12.88487      14.53265 
1 1 1 0   27 19 o 48.77089 16.03058 25.74587       18.39389  46.69952       
25.97235  4.660875       26.05363  63.37680 18.79981 41.33525 17.61653 
22.04155       25.76383 
1 1 1 0   27 20 o 155.6883 6.936724 251.8004       21.96149  280.3064       
31.30373  224.1714       30.81842  162.5088 9.514056 144.5684 10.55597 
17.94043       14.21076 
1 1 1 0   27 21 o 54.66362 18.56928 37.20148       24.65110  0.000000       
0.000000  37.20148       24.65110  ?        ?        54.66362 18.56928 
0.000000       18.56928 
1 1 1 0   28 0  o 495.3101 9.512203 2497.745       95.80976  2497.745       
95.80976  0.000000       0.000000  495.3101 9.512203 ?        ?        
0.000000       9.512203 
1 1 1 0   28 1  o 232.1959 4.027264 548.4505       19.01586  578.6271       
23.59163  492.4807       32.12914  238.4722 4.864843 219.9149 7.184442 
18.55724       8.676572 
1 1 1 0   28 2  o 386.7999 4.761561 1522.272       37.45304  1548.416       
46.29516  1472.748       63.71721  390.0399 5.836803 380.1957 8.241344 
9.844208       10.09891 
1 1 1 0   28 3  o 225.3413 4.346736 516.6129       19.91845  516.6129       
19.91845  0.000000       0.000000  225.3413 4.346736 ?        ?        
0.000000       4.346736 
1 1 1 0   28 4  o 465.8962 5.424293 2209.226       51.39060  2127.790       
61.65456  2394.587       93.01768  457.1140 6.632683 484.5497 9.440082 
-27.43573      11.53723 
1 1 1 0   28 5  o 254.2163 3.920235 657.4810       20.26595  665.5520       
23.96846  637.2412       37.95584  255.7432 4.608766 250.0802 7.463593 
5.662979       8.771883 
1 1 1 0   28 6  o 454.8807 5.401812 2106.540       49.96759  2176.137       
62.87681  1987.254       82.31687  462.1769 6.690072 441.2850 9.173145 
20.89194       11.35357 
1 1 1 0   28 7  o 232.0212 4.144715 547.8505       19.55572  567.5426       
23.42352  502.5486       35.52748  236.1140 4.878419 221.9649 7.870977 
14.14906       9.260197 
1 1 1 0   28 8  o 55.22458 11.71605 32.44670       12.74971  42.37827       
18.39285  23.26037       17.68934  62.90035 14.65197 48.26460 15.71362 
14.63575       21.48484 
1 1 1 0   28 9  o 140.9543 5.520003 202.4877       15.82228  206.7525       
22.42440  198.2595       22.32808  142.0548 7.792468 139.0787 7.927598 
2.976044       11.11618 
1 1 1 0   28 10 o 55.00969 13.58782 32.51855       15.11053  20.08665       
24.09093  40.58159       19.40145  49.06328 18.17863 61.32043 15.53945 
-12.25716      23.91521 
1 1 1 0   28 11 o 36.31422 14.57848 6.787644       16.42981  14.38803       
18.58982  -20.33501      35.11750  42.46083 15.92188 41.29869 18.84409 
1.162140       24.66994 
1 1 1 0   28 12 o 80.37631 9.281908 67.26388       14.89213  71.56721       
20.47571  62.43109       21.69876  82.15977 12.66221 76.15100 14.54263 
6.008774       19.28262 
1 1 1 0   28 13 o 287.5270 5.517049 844.2824       32.25797  813.6997       
54.95392  860.3602       39.84497  281.0182 9.616406 289.9338 6.758079 
-8.915619      11.75359 
1 1 1 0   28 14 o 159.1789 5.822096 259.0603       18.84588  243.6113       
25.83659  276.6264       27.55005  153.7062 8.296674 163.8180 8.297135 
-10.11183      11.73359 
1 1 1 0   28 15 o 33.88297 13.89013 4.750679       15.28128  3.889782       
21.73263  5.592566       21.49137  38.77876 16.28644 39.37660 16.33963 
-0.5978394     23.07014 
1 1 1 0   28 16 o 307.5125 5.851479 968.2100       36.59146  869.0056       
58.28511  1032.746       47.01014  289.4681 9.901603 316.9880 7.292850 
-27.51990      12.29745 
1 1 1 0   28 17 o 82.02702 11.67079 71.76776       18.91843  62.59675       
25.73408  82.55310       27.90726  74.64359 17.29280 86.28458 16.50640 
-11.64098      23.90611 
1 1 1 0   28 18 o 143.3232 7.432935 212.5498       21.58910  220.3936       
29.94320  204.0576       31.15611  144.8419 10.23188 138.9406 11.12032 
5.901337       15.11135 
1 1 1 0   28 19 o 102.2557 9.930305 111.0061       20.38873  95.34919       
28.59153  127.2057       29.08280  91.76912 15.89694 107.6507 13.58786 
-15.88154      20.91274 
1 1 1 0   28 20 o 40.09103 15.51757 14.27538       18.01593  10.12000       
25.58056  18.36502       25.37741  42.04393 17.66426 45.59631 18.18268 
-3.552376      25.35027 
1 1 1 0   28 21 o 33.15550 14.24836 3.408801       17.30028  -20.24645      
24.97441  25.23229       23.98797  31.11514 14.74720 47.30350 18.00729 
-16.18836      23.27536 
1 1 1 0   29 1  o 144.2399 5.312675 211.7414       15.58296  211.7414       
15.58296  0.000000       0.000000  144.2399 5.312675 ?        ?        
0.000000       5.312675 
1 1 1 0   29 2  f 99.06932 5.472345 100.2016       10.98188  113.4587       
13.23391  70.88375       19.68019  105.3821 6.202822 82.42188 12.10224 
22.96018       13.59924 
1 1 1 0   29 3  o 121.7779 4.564335 150.9010       11.30310  152.7097       
13.42229  146.4910       20.95887  122.4870 5.388712 119.5527 8.680175 
2.934265       10.21683 
1 1 1 0   29 4  o 142.5818 5.066236 206.9166       14.68930  201.0604       
19.08689  215.4239       23.00507  140.4965 6.680642 145.1711 7.821632 
-4.674606      10.28635 
1 1 1 0   29 5  o 381.1005 4.953734 1478.345       38.39050  1489.482       
47.89341  1458.327       64.21051  382.4192 6.158638 378.1309 8.350501 
4.288269       10.37592 
1 1 1 0   29 6  o 165.7501 4.453443 279.6213       15.01070  262.1233       
17.81437  322.4621       27.87438  160.4392 5.460200 177.8149 7.708782 
-17.37569      9.446645 
1 1 1 0   29 7  o 354.0556 4.277895 1275.995       30.80016  1273.556       
35.96392  1282.707       59.65761  353.6448 5.000902 354.4437 8.276889 
-0.7989502     9.670362 
1 1 1 0   29 8  o 105.0909 6.455708 113.0577       13.72944  105.4046       
19.28149  120.9288       19.55411  101.0455 9.495018 108.3749 8.952907 
-7.329330      13.05028 
1 1 1 0   29 9  o 74.52000 8.807687 57.62711       13.08898  52.83359       
18.70167  62.22964       18.32530  70.37305 13.56017 76.83329 12.13134 
-6.460243      18.19472 
1 1 1 0   29 10 o 45.93485 14.14069 21.93295       14.50452  -2.948616      
23.62974  36.97565       18.37312  37.87833 16.46448 58.51823 15.27595 
-20.63990      22.45960 
1 1 1 0   29 11 o 77.64930 11.64635 63.63178       17.82272  83.53664       
20.06937  -10.63973      38.76729  89.26588 11.30962 46.22506 20.55062 
43.04082       23.45710 
1 1 1 0   29 12 o 89.40113 8.342787 82.74776       14.99196  74.47596       
20.49643  92.26509       21.98546  83.84586 12.39472 93.65620 11.80610 
-9.810333      17.11763 
1 1 1 0   29 13 o 235.7885 4.859430 567.3823       23.30019  512.3555       
31.29977  635.7787       34.89561  223.6477 6.882170 249.1317 6.887957 
-25.48399      9.736951 
1 1 1 0   29 14 o 191.8623 5.289255 376.1475       20.63647  358.8793       
28.55087  395.0381       29.86203  186.9364 7.510589 196.1339 7.487129 
-9.197464      10.60500 
1 1 1 0   29 15 o 114.8441 7.503612 136.1664       17.42756  111.9858       
24.12582  162.5522       25.20196  102.9328 11.73575 124.8209 10.01306 
-21.88811      15.42690 
1 1 1 0   29 16 o 238.6076 6.188585 583.6776       30.02805  582.8102       
51.12643  584.1344       37.10152  236.5430 10.62879 238.1808 7.660082 
-1.637848      13.10145 
1 1 1 0   29 17 f 172.5257 8.319823 307.7491       29.18900  305.7371       
32.69996  315.6379       64.75111  171.3187 9.422444 167.9228 19.31382 
3.395828       21.48967 
1 1 1 0   29 18 o 98.35237 9.848328 102.1574       19.43224  122.2068       
27.59450  82.43369       27.36955  106.2554 13.04485 85.50880 16.33568 
20.74664       20.90508 
1 1 1 0   29 19 o 99.19423 10.12984 105.1394       20.14666  113.4344       
27.49368  95.52026       29.60691  101.1260 13.72416 90.95908 16.61887 
10.16692       21.55318 
1 1 1 0   29 20 o 99.79269 9.223244 106.9091       18.50516  121.0601       
27.38195  95.01235       25.10637  103.4295 13.32889 91.01517 14.01468 
12.41433       19.34090 
1 1 1 0   30 0  o 30.59585 13.14481 -1.221481      14.71712  -1.221481      
14.71712  0.000000       0.000000  30.59585 13.14481 ?        ?        
0.000000       13.14481 
1 1 1 0   30 1  o 181.7110 4.227643 335.9605       15.62179  336.4539       
18.84866  334.8780       27.91883  181.8155 5.097982 181.2779 7.573577 
0.5376282      9.129539 
1 1 1 0   30 2  o 365.0217 4.680287 1355.954       34.74103  1361.335       
42.56069  1345.211       60.13992  365.6647 5.723665 363.2458 8.141619 
2.418854       9.952201 
1 1 1 0   30 3  f 413.1438 4.424525 1736.960       37.17229  1700.988       
42.64553  1850.739       75.84388  408.7841 5.130127 425.9377 8.756349 
-17.15363      10.14849 
1 1 1 0   30 4  o 309.4366 4.008804 974.2985       25.22539  968.9618       
29.48616  988.8659       48.71610  308.5444 4.699473 311.4267 7.692459 
-2.882294      9.014376 
1 1 1 0   30 5  o 321.9823 7.932885 1057.592       51.94151  0.000000       
0.000000  1057.592       51.94151  ?        ?        321.9823 7.932885 
0.000000       7.932885 
1 1 1 0   30 6  o 107.6116 5.701465 118.3066       12.43213  100.5070       
14.95922  158.0502       22.35307  98.97429 7.487912 124.0608 8.919893 
-25.08649      11.64617 
1 1 1 0   30 7  o 223.8566 4.104477 510.1365       18.68440  519.9287       
22.33604  487.3145       34.09896  225.9400 4.861405 218.4628 7.675601 
7.477203       9.085599 
1 1 1 0   30 8  o 311.6821 4.183380 989.2277       26.51493  992.2294       
31.00155  981.0499       51.17036  312.0696 4.885179 309.7488 8.123766 
2.320801       9.479481 
1 1 1 0   30 9  o 172.1024 4.906756 301.8936       17.17247  276.4939       
23.70599  329.9384       24.90979  164.4861 7.087246 179.7154 6.816057 
-15.22935      9.832991 
1 1 1 0   30 10 o 68.55922 10.04959 49.34927       13.59495  42.39120       
19.13320  56.44423       19.32050  62.50743 15.19930 72.60916 13.58441 
-10.10173      20.38517 
1 1 1 0   30 11 o 69.34081 14.54153 52.05405       19.84969  52.05405       
19.84969  0.000000       0.000000  69.34081 14.54153 ?        ?        
0.000000       14.54153 
1 1 1 0   30 12 o 208.2871 4.882507 442.7122       20.68030  480.0690       
29.01687  404.1498       29.48137  216.5754 6.588554 198.5652 7.301179 
18.01013       9.834442 
1 1 1 0   30 13 o 73.34307 10.44085 56.76081       15.13247  39.01770       
20.61225  77.50393       22.28679  59.62146 16.46012 85.10200 13.31467 
-25.48054      21.17111 
1 1 1 0   30 14 o 129.3049 6.628366 171.8830       17.37043  150.6226       
23.67345  196.6798       25.56664  120.2336 9.766847 137.6713 9.184995 
-17.43771      13.40729 
1 1 1 0   30 15 o 60.03056 13.46723 39.45487       16.03538  52.49193       
22.29391  25.48041       23.08150  68.66359 16.22397 50.76249 17.93088 
17.90110       24.18127 
1 1 1 0   30 16 o 118.1986 8.989875 145.4877       21.44617  188.8502       
38.02588  125.2610       25.97073  132.5132 14.34010 108.6260 11.95495 
23.88721       18.66974 
1 1 1 0   30 17 o 146.7540 9.899104 225.6470       29.36917  225.6470       
29.36917  0.000000       0.000000  146.7540 9.899104 ?        ?        
0.000000       9.899104 
1 1 1 0   30 18 o 184.1586 6.237657 349.3898       23.35958  342.7956       
32.42464  356.5054       33.68209  181.2465 8.797397 184.7440 8.965559 
-3.497528      12.56087 
1 1 1 0   30 19 o 82.74642 11.43405 74.91155       18.72574  67.00933       
26.05628  83.35243       26.92971  74.88563 17.43614 84.54390 16.25423 
-9.658272      23.83734 
1 1 1 0   30 20 o 56.08440 14.67748 37.64844       16.93390  54.61497       
25.00918  23.28397       23.01165  65.43827 18.15563 46.33245 17.63718 
19.10582       25.31199 
1 1 1 0   31 1  o 479.4236 5.430485 2340.182       52.94311  2401.219       
66.08892  2230.848       88.45300  485.4645 6.694525 467.4771 9.304667 
17.98737       11.46270 
1 1 1 0   31 2  o 105.1052 4.803231 112.4473       10.26618  134.2941       
14.25032  88.87424       14.80258  114.6596 6.133943 93.02149 7.900065 
21.63810       10.00181 
1 1 1 0   31 3  o 241.6494 7.345461 595.3627       36.09576  0.000000       
0.000000  595.3627       36.09576  ?        ?        241.6494 7.345461 
0.000000       7.345461 
1 1 1 0   31 4  o 199.1277 4.614005 403.6442       18.68362  427.1031       
24.37563  370.2325       29.09049  204.7585 5.854130 190.5226 7.508501 
14.23595       9.520947 
1 1 1 0   31 5  o 456.9359 5.452727 2126.875       50.66645  2095.556       
61.99533  2189.868       87.92202  453.3391 6.724878 462.8194 9.341889 
-9.480286      11.51064 
1 1 1 0   31 6  o 323.7119 4.152231 1066.793       27.33327  1063.982       
31.92049  1074.520       52.92104  323.2110 4.856596 324.3302 8.023975 
-1.119171      9.379270 
1 1 1 0   31 7  o 30.88074 11.84281 6.637561       10.42340  6.371026       
13.09893  7.097694       17.21077  33.20981 13.11988 37.24720 14.93227 
-4.037392      19.87722 
1 1 1 0   31 8  o 294.3584 4.147223 882.5005       24.82477  883.9654       
29.01590  878.4999       47.95134  294.5111 4.844879 293.0009 8.047861 
1.510254       9.393663 
1 1 1 0   31 9  o 71.80228 8.996184 53.71133       12.84720  64.18982       
18.42928  43.80526       17.91884  77.94843 12.01240 63.69972 14.19601 
14.24870       18.59636 
1 1 1 0   31 10 o 264.3321 4.486315 712.3243       24.11522  681.0522       
32.97114  748.2970       35.36242  258.1354 6.281090 270.5459 6.427610 
-12.41055      8.987005 
1 1 1 0   31 11 o 208.8976 6.786672 446.7531       28.82980  446.7531       
28.82980  0.000000       0.000000  208.8976 6.786672 ?        ?        
0.000000       6.786672 
1 1 1 0   31 12 o 154.6575 5.627593 244.4822       17.69885  245.0239       
24.57882  243.8989       25.50687  154.2501 7.861894 153.8135 8.184208 
0.4366608      11.34860 
1 1 1 0   31 13 o 185.8409 5.327096 353.0217       20.13183  375.0551       
27.88726  329.0427       29.09238  191.1428 7.174581 178.8272 8.000079 
12.31558       10.74597 
1 1 1 0   31 14 o 88.55458 9.268279 82.00095       16.44294  67.95934       
22.45230  98.24339       24.14782  78.93008 14.52353 95.94649 12.68771 
-17.01640      19.28499 
1 1 1 0   31 15 o 60.66026 13.92128 40.51004       16.80866  26.62133       
23.62521  54.74706       23.91961  51.51426 18.14681 69.80050 17.00779 
-18.28624      24.87110 
1 1 1 0   31 16 o 287.1951 5.202003 844.3000       30.38078  815.5003       
42.27793  875.0507       43.68652  281.2955 7.390937 291.3948 7.372489 
-10.09933      10.43933 
1 1 1 0   31 17 o 61.31063 18.87870 42.96910       25.85089  42.96910       
25.85089  0.000000       0.000000  61.31063 18.87870 ?        ?        
0.000000       18.87870 
1 1 1 0   31 18 o 100.2640 9.532580 106.6117       19.20215  115.9578       
26.96335  96.99368       27.35271  102.7460 13.21103 92.87907 14.99270 
9.866920       19.98280 
1 1 1 0   31 19 o 47.55844 15.79514 25.82919       17.84057  13.11244       
24.84233  39.37275       25.63720  42.81433 17.64920 56.81145 18.93770 
-13.99712      25.88688 
1 1 1 0   31 20 o 51.97669 15.16506 33.02868       17.02147  40.01501       
24.95139  26.94725       23.27947  55.47958 18.68284 47.85410 17.84223 
7.625484       25.83396 
1 1 1 0   32 0  o 160.4118 5.422635 261.8420       17.68879  287.2266       
24.86007  235.8116       25.17434  167.9541 7.278810 151.9335 8.178148 
16.02061       10.94820 
1 1 1 0   32 1  o 46.12962 9.503369 22.53832       8.618077  9.738071       
11.70541  37.68987       12.73521  34.55073 12.69454 59.77774 10.87719 
-25.22701      16.71720 
1 1 1 0   32 2  o 268.7220 3.749744 734.8105       20.49068  725.8882       
28.70039  744.0869       29.26422  266.9802 5.286367 270.3032 5.323956 
-3.322937      7.502678 
1 1 1 0   32 3  o 622.3688 6.621800 3948.892       83.80604  3990.049       
104.0297  3872.797       141.4536  625.1649 8.182973 614.7734 11.31482 
10.39154       13.96374 
1 1 1 0   32 4  o 180.5392 4.140108 331.7896       15.19969  331.9068       
18.19062  331.5183       27.66742  180.5264 4.955134 180.2255 7.549201 
0.3009186      9.030161 
1 1 1 0   32 5  o 235.8660 7.549270 568.0767       36.20944  0.000000       
0.000000  568.0767       36.20944  ?        ?        235.8660 7.549270 
0.000000       7.549270 
1 1 1 0   32 6  o 139.6917 4.749024 198.7935       13.49045  194.8831       
16.25580  207.4449       24.17928  138.2466 5.782326 142.1631 8.401139 
-3.916489      10.19875 
1 1 1 0   32 7  o 118.6285 5.211083 143.4713       12.57096  148.5484       
15.28359  132.8528       22.10297  120.4771 6.259917 113.3815 9.679167 
7.095612       11.52705 
1 1 1 0   32 8  o 36.76180 12.30006 13.20061       10.81424  18.34710       
13.30148  3.166390       18.57319  42.46944 13.60774 36.20129 15.11980 
6.268150       20.34155 
1 1 1 0   32 9  o 67.14330 8.819971 47.07173       11.75127  35.21663       
14.13000  73.66322       21.16221  57.20374 12.49652 83.30247 12.91032 
-26.09873      17.96773 
1 1 1 0   32 10 o 108.3418 6.697817 120.5869       14.68405  117.6854       
20.33965  123.7453       21.22114  106.4738 9.493561 109.1618 9.659468 
-2.688004      13.54374 
1 1 1 0   32 11 o 39.36395 15.45816 10.22582       18.08251  10.22582       
18.08251  0.000000       0.000000  39.36395 15.45816 ?        ?        
0.000000       15.45816 
1 1 1 0   32 12 o 144.0838 8.048825 214.2161       23.48873  214.2161       
23.48873  0.000000       0.000000  144.0838 8.048825 ?        ?        
0.000000       8.048825 
1 1 1 0   32 13 o 208.4519 5.108245 444.1658       21.65355  437.9265       
29.24013  451.7426       32.22206  206.5129 6.962749 209.5608 7.561220 
-3.047943      10.27871 
1 1 1 0   32 14 o 169.2586 5.965798 293.6375       20.53386  287.8337       
27.93181  300.4624       30.28985  166.9766 8.226064 170.2078 8.781094 
-3.231186      12.03228 
1 1 1 0   32 15 o 51.40944 15.13295 28.98260       16.88296  44.59998       
23.62806  12.69172       24.13215  62.87534 17.71941 44.15565 17.68881 
18.71968       25.03741 
1 1 1 0   32 16 o 42.93381 15.44023 17.59860       17.18805  21.97259       
24.02849  13.01533       24.59662  48.67179 18.13096 44.38695 17.83107 
4.284840       25.42988 
1 1 1 0   32 17 f 61.17080 18.80314 43.34064       25.65700  43.34064       
25.65700  0.000000       0.000000  61.17080 18.80314 ?        ?        
0.000000       18.80314 
1 1 1 0   32 18 o 116.2219 8.428154 142.2491       19.78381  157.6694       
29.02168  128.8624       27.04035  120.3175 12.02253 108.3895 12.49693 
11.92798       17.34112 
1 1 1 0   32 19 o 49.18378 15.45195 28.63430       17.22015  38.57160       
25.01357  19.68159       23.74209  55.64474 18.70626 44.93764 17.69179 
10.70710       25.74730 
1 1 1 0   32 20 o 65.49225 13.60349 51.24147       17.52505  65.66692       
26.17480  39.52047       23.59397  70.39544 18.16354 54.65210 18.16498 
15.74334       25.68814 
1 1 1 0   33 1  o 222.5651 3.669621 504.1058       16.60847  519.1144       
23.41297  488.9035       23.56360  225.7605 5.099847 219.0785 5.289207 
6.681976       7.347391 
1 1 1 0   33 2  o 219.1134 4.298445 488.7776       19.15277  466.7310       
32.36254  500.6619       23.76066  213.8435 7.442093 221.6903 5.270605 
-7.846771      9.119431 
1 1 1 0   33 3  o 65.90431 9.084113 45.25154       11.85085  37.93735       
15.94944  54.26685       17.70731  59.52989 13.48757 71.61652 12.61980 
-12.08662      18.47089 
1 1 1 0   33 4  o 169.0696 4.956711 291.2115       17.04161  300.9454       
22.48257  278.0661       26.12688  171.7560 6.436985 164.9714 7.788029 
6.784683       10.10387 
1 1 1 0   33 5  o 413.1118 4.504143 1738.379       37.83826  1718.727       
43.68943  1797.360       75.68921  410.6402 5.231949 418.9657 8.883908 
-8.325531      10.31005 
1 1 1 0   33 6  f 433.8706 4.625685 1918.145       40.81198  1952.646       
48.06962  1829.060       77.24223  437.5832 5.402050 422.4091 8.992288 
15.17416       10.49016 
1 1 1 0   33 7  o 170.1675 4.362113 295.0677       15.09472  297.8169       
18.00782  288.5717       27.68075  170.8819 5.182193 167.8354 8.110408 
3.046448       9.624648 
1 1 1 0   33 8  o 186.4324 4.322462 354.2576       16.38717  345.3564       
19.16368  378.4739       31.60886  183.9852 5.122059 192.1166 8.090818 
-8.131454      9.575847 
1 1 1 0   33 9  o 55.90040 11.35847 33.49409       12.47146  22.11297       
15.31277  55.91748       21.49374  46.13814 14.58108 71.68722 15.21486 
-25.54908      21.07368 
1 1 1 0   33 10 o 79.82492 8.465691 66.25361       13.53234  65.37235       
18.52021  67.26302       19.82121  78.43361 11.99263 79.38489 12.70697 
-0.9512787     17.47256 
1 1 1 0   33 11 o 110.3850 9.528419 126.8011       21.17896  126.8011       
21.17896  0.000000       0.000000  110.3850 9.528419 ?        ?        
0.000000       9.528419 
1 1 1 0   33 12 o 41.70949 13.97184 17.50791       13.95383  26.01642       
19.78677  9.090086       19.68106  50.09137 16.63428 39.71015 15.95090 
10.38122       23.04627 
1 1 1 0   33 13 o 129.5054 6.634365 172.6436       17.41319  186.2663       
23.64346  156.4953       25.74211  133.9437 8.728032 122.1616 10.46332 
11.78210       13.62570 
1 1 1 0   33 14 o 42.12251 14.94110 17.03220       16.04207  17.69859       
22.47035  16.33950       22.90986  45.80194 17.43011 45.29962 17.50849 
0.5023232      24.70538 
1 1 1 0   33 15 o 136.2338 7.158796 191.7524       19.76292  209.6813       
27.72221  173.2245       28.18143  141.5638 9.688196 128.1127 10.92161 
13.45114       14.59941 
1 1 1 0   33 16 o 121.2621 8.085781 153.0864       19.82445  159.4730       
27.70131  146.3815       28.38313  122.4693 11.24872 116.8887 12.11689 
5.580627       16.53338 
1 1 1 0   33 17 o 119.4562 11.43386 153.3825       27.43563  153.3825       
27.43563  0.000000       0.000000  119.4562 11.43386 ?        ?        
0.000000       11.43386 
1 1 1 0   33 18 o 29.27309 13.35001 -7.971294      17.59642  -2.155047      
26.36182  -12.64519      23.63162  38.00259 16.91786 32.81229 15.14970 
5.190300       22.70963 
1 1 1 0   33 19 o 91.97235 9.633917 92.25768       17.75080  74.79263       
26.07179  107.3492       24.23553  77.41959 17.02368 97.09290 12.56984 
-19.67331      21.16145 
1 1 1 0   34 0  o 83.46437 7.998443 71.65805       13.40931  51.93056       
17.68731  98.32244       20.56324  70.15231 12.87286 97.56231 10.53178 
-27.41000      16.63216 
1 1 1 0   34 1  o 208.0077 3.700340 440.4098       15.65210  430.2566       
21.70078  451.4192       22.59724  205.4868 5.193259 210.4721 5.279703 
-4.985260      7.405754 
1 1 1 0   34 2  o 106.5067 5.595485 115.9559       12.07651  104.3594       
20.13556  122.4708       15.09225  100.4102 9.994105 109.3285 6.822495 
-8.918327      12.10077 
1 1 1 0   34 3  o 154.8641 4.261095 244.2415       13.41910  255.4703       
16.26241  220.2824       23.75488  158.3326 5.050835 146.5613 8.000690 
11.77126       9.461605 
1 1 1 0   34 4  o 233.6184 4.594952 556.0515       21.82928  560.7455       
28.05420  548.8480       34.75298  234.4507 5.884301 231.7311 7.374902 
2.719574       9.434732 
1 1 1 0   34 5  o 31.70216 11.66773 8.258535       9.894365  14.68577       
12.24705  -3.820464      16.78939  38.87815 13.08916 31.28790 13.73234 
7.590248       18.97112 
1 1 1 0   34 6  o 171.1268 4.318093 298.4091       15.02663  311.1028       
18.13121  270.5656       26.85304  174.6524 5.105060 162.2900 8.162787 
12.36237       9.627707 
1 1 1 0   34 7  o 107.4635 5.446520 118.1795       11.86343  124.7199       
14.32291  103.8872       21.17300  110.2704 6.415073 99.80895 10.59380 
10.46145       12.38474 
1 1 1 0   34 8  o 45.24440 11.59567 22.02546       10.71780  11.90922       
12.85171  45.13034       19.42241  36.83704 13.33681 64.31553 15.10731 
-27.47849      20.15196 
1 1 1 0   34 9  f 232.0845 4.714929 549.6590       22.25219  573.8555       
27.67110  505.3713       37.43618  236.9298 5.743218 221.6939 8.303980 
15.23584       10.09657 
1 1 1 0   34 10 o 160.3498 4.772115 262.5027       15.56075  257.1955       
18.15974  277.1660       30.18499  158.5936 5.630832 163.6456 9.106637 
-5.052002      10.70687 
1 1 1 0   34 11 o 150.1516 5.692603 230.7086       17.38170  253.0168       
23.95341  205.8973       25.26161  156.8733 7.508735 140.9451 8.858793 
15.92824       11.61289 
1 1 1 0   34 12 o 69.00138 12.64142 51.52428       17.08434  63.90369       
30.23458  45.71761       20.70704  74.79408 19.63062 64.07280 15.95379 
10.72128       25.29595 
1 1 1 0   34 13 o 63.03175 12.30112 43.18242       15.20125  28.68085       
20.90728  59.44655       22.14141  51.89854 17.09230 73.17780 15.36808 
-21.27927      22.98531 
1 1 1 0   34 14 o 135.5158 7.009595 189.6210       19.25067  184.1830       
26.46809  195.7283       28.04983  132.5566 9.890266 136.5514 10.17443 
-3.994843      14.18931 
1 1 1 0   34 15 o 88.40925 10.53711 83.02884       18.57074  64.55003       
25.58580  103.6022       26.99696  75.28721 17.10134 97.41232 14.03350 
-22.12511      22.12227 
1 1 1 0   34 16 o 103.5193 8.945031 112.6549       18.64520  104.3511       
25.99339  121.4557       26.75989  97.63314 13.44921 105.8326 12.68694 
-8.199493      18.48891 
1 1 1 0   34 17 o 69.05112 17.51861 56.75243       24.63828  56.75243       
24.63828  0.000000       0.000000  69.05112 17.51861 ?        ?        
0.000000       17.51861 
1 1 1 0   34 18 o 88.24445 10.95230 85.64043       19.23115  93.93832       
28.66369  78.84746       25.93455  88.53129 16.52941 81.11629 16.28820 
7.415001       23.20618 
1 1 1 0   34 19 o 70.67560 12.25307 57.76773       16.97202  83.26587       
25.44325  37.32652       22.78094  82.10784 15.81197 53.53301 17.85195 
28.57483       23.84765 
1 1 1 0   35 1  o 95.56815 5.955769 93.53971       11.51695  103.7131       
19.32839  87.93929       14.34078  100.1023 9.613346 92.42042 7.700597 
7.681915       12.31729 
1 1 1 0   35 2  o 181.8852 4.384152 337.0160       16.21565  339.5108       
28.03514  335.7617       19.87821  182.2115 7.566158 181.4577 5.387043 
0.7538605      9.288002 
1 1 1 0   35 3  o 41.94819 12.24733 18.52199       11.09843  31.98288       
15.15872  2.969803       16.29377  54.49910 13.69464 34.09274 14.19377 
20.40635       19.72324 
1 1 1 0   35 4  o 147.6885 7.995561 224.0316       23.92360  0.000000       
0.000000  224.0316       23.92360  ?        ?        147.6885 7.995561 
0.000000       7.995561 
1 1 1 0   35 5  o 92.80910 5.895807 88.30798       11.06945  79.19347       
13.47568  107.2176       19.40999  87.61095 7.640279 101.6926 9.495975 
-14.08163      12.18800 
1 1 1 0   35 6  o 314.4271 4.110679 1007.541       26.28361  1019.467       
30.91598  976.4479       49.91946  316.1483 4.808844 308.5630 7.955629 
7.585266       9.296075 
1 1 1 0   35 7  o 138.9438 4.735333 196.9551       13.37954  200.8023       
15.99820  188.0029       24.40415  140.1988 5.611456 134.8805 8.948206 
5.318283       10.56214 
1 1 1 0   35 8  o 202.7688 4.283357 419.3220       17.66187  415.7315       
20.74562  428.7785       33.66787  201.7780 5.055931 204.2415 8.106256 
-2.463440      9.553733 
1 1 1 0   35 9  o 104.7662 6.534393 112.8925       13.85184  125.7598       
17.37724  90.46735       22.94059  110.3399 7.794707 92.24205 12.55621 
18.09785       14.77890 
1 1 1 0   35 10 o 126.9800 5.508092 164.9317       14.22290  163.5702       
16.77326  168.4160       26.83185  126.1303 6.562192 126.9148 10.49054 
-0.7845383     12.37391 
1 1 1 0   35 11 o 81.90709 9.005728 70.21096       14.75231  82.99690       
20.20753  55.62043       21.58651  88.39743 11.51480 70.90108 15.41176 
17.49635       19.23832 
1 1 1 0   35 12 o 103.5872 9.116863 112.1050       19.00883  135.8428       
33.42311  100.7558       23.11042  111.6990 15.10170 97.22790 11.93958 
14.47110       19.25137 
1 1 1 0   35 13 o 81.70079 9.913944 70.56349       16.13378  60.56422       
22.08105  82.01573       23.63094  73.77349 15.22362 86.71952 13.86749 
-12.94603      20.59286 
1 1 1 0   35 14 o 52.02556 14.57386 30.05951       16.03385  23.50627       
22.68553  36.60092       22.66505  48.92294 17.71824 57.16257 17.68973 
-8.239632      25.03722 
1 1 1 0   35 15 o 43.44530 16.13404 17.38784       18.99805  67.83990       
32.09232  -9.831461      23.57220  75.48243 20.41533 34.39003 15.59359 
41.09240       25.68940 
1 1 1 0   35 16 o 71.91969 12.45008 57.00377       17.54907  73.15000       
24.76586  40.72050       24.87074  80.01302 15.78163 59.02818 18.57397 
20.98483       24.37319 
1 1 1 0   35 17 o 78.87331 13.62004 70.43564       21.05564  96.68288       
25.80347  18.13215       36.42517  92.28670 14.20511 49.91985 21.03138 
42.36685       25.37921 
1 1 1 0   35 18 o 68.63630 14.40297 55.94226       19.46183  74.84449       
35.53215  47.84122       23.26137  72.79528 22.07950 61.26257 17.68624 
11.53271       28.28970 
1 1 1 0   35 19 o 56.17127 14.56387 39.36709       16.77461  66.85126       
25.02190  16.93156       22.60722  71.00257 17.45317 41.41329 16.92637 
29.58928       24.31286 
1 1 1 0   36 0  o 318.6008 5.591258 1033.937       36.22495  921.6085       
48.97575  1169.619       53.82681  300.5131 8.014313 338.5719 7.818011 
-38.05887      11.19600 
1 1 1 0   36 1  o 217.5633 4.279884 482.2962       18.93517  471.5742       
32.59285  487.7588       23.26383  214.6672 7.466295 218.6775 5.231494 
-4.010269      9.116693 
1 1 1 0   36 2  o 189.2369 4.432470 364.9650       17.05702  344.8401       
30.77196  373.8910       20.49347  183.4170 8.250195 191.4450 5.264051 
-8.028030      9.786518 
1 1 1 0   36 3  o 133.1337 5.382150 180.8732       14.57120  186.7970       
19.69297  173.7065       21.66089  134.9145 7.204019 129.8986 8.242822 
5.015900       10.94724 
1 1 1 0   36 4  o 71.95598 6.958940 53.47013       10.05551  45.14338       
12.50964  68.67378       16.90367  65.54624 9.676209 80.93965 10.51856 
-15.39341      14.29228 
1 1 1 0   36 5  o 105.3290 5.339150 113.5537       11.39855  114.1273       
13.76823  112.3040       20.32214  105.4354 6.452608 103.9531 9.726534 
1.482300       11.67226 
1 1 1 0   36 6  f 184.3721 4.132841 346.5573       15.49514  331.2384       
18.20764  386.7901       29.50741  180.1437 4.970306 194.1922 7.472192 
-14.04848      8.974275 
1 1 1 0   36 7  o 34.21445 11.86738 11.06001       10.08334  8.553886       
12.23899  16.35534       17.79063  33.75540 12.85946 42.92513 15.66850 
-9.169731      20.26987 
1 1 1 0   36 8  o 142.8237 4.820314 208.3034       13.99997  206.1618       
16.66661  213.4361       25.80235  141.9548 5.773587 143.5719 8.881293 
-1.617050      10.59300 
1 1 1 0   36 9  o 206.3899 4.832162 435.1497       20.28063  455.9634       
25.33305  398.0032       33.84321  211.0247 5.903407 196.4317 8.472442 
14.59308       10.32630 
1 1 1 0   36 10 o 170.6238 9.057968 302.1538       31.31578  0.000000       
0.000000  302.1538       31.31578  ?        ?        170.6238 9.057968 
0.000000       9.057968 
1 1 1 0   36 11 o 40.76206 12.85258 17.46977       11.90276  12.26957       
14.10749  30.31715       22.17416  37.61726 13.91633 53.28040 17.60521 
-15.66315      22.44120 
1 1 1 0   36 12 o 89.21455 10.22793 84.16263       18.22040  20.07374       
31.33059  116.9146       22.39731  51.04335 20.25084 105.1804 10.61681 
-54.13700      22.86510 
1 1 1 0   36 13 o 117.0397 7.401639 141.9978       17.52547  130.0812       
23.96635  155.6934       25.69317  110.8149 10.77149 121.4300 10.50854 
-10.61512      15.04840 
1 1 1 0   36 14 o 92.58892 9.713836 90.57714       18.01698  83.55370       
24.97139  98.20326       26.02073  86.86546 14.65831 94.67034 13.93288 
-7.804886      20.22353 
1 1 1 0   36 15 o 45.83667 16.42624 21.22452       19.43719  42.80834       
32.32055  8.995522       24.32820  61.07901 21.24325 41.85672 17.37800 
19.22229       27.44578 
1 1 1 0   36 16 o 56.03127 14.80085 36.21307       17.11588  51.28611       
24.07850  20.81775       24.33455  65.48258 17.67223 46.91432 18.06930 
18.56826       25.27464 
1 1 1 0   36 17 o 37.33673 15.31933 9.244986       18.60797  25.04706       
23.56666  -16.91843      30.32411  47.92087 17.93522 35.97207 16.79606 
11.94880       24.57193 
1 1 1 0   36 18 o 37.33949 15.31534 10.98349       18.59053  -9.667525      
33.47734  20.19124       22.35409  38.25320 17.78950 43.60684 17.16718 
-5.353638      24.72202 
1 1 1 0   36 19 o 46.10052 15.34391 27.24655       16.83249  40.66137       
25.03001  16.17079       22.74340  53.34295 18.68641 40.46593 16.80167 
12.87702       25.12922 
1 1 1 0   37 1  o 117.6847 6.285501 141.9782       14.98778  0.000000       
0.000000  141.9782       14.98778  ?        ?        117.6847 6.285501 
0.000000       6.285501 
1 1 1 0   37 2  o 128.7866 4.796107 169.1867       12.56062  167.3749       
21.72017  170.0971       15.39614  127.3959 8.431776 129.0293 5.867756 
-1.633438      10.27256 
1 1 1 0   37 3  f 130.3816 5.378092 173.5787       14.25922  175.6521       
18.97237  170.8870       21.61654  130.7526 7.162671 128.7314 8.301789 
2.021225       10.96465 
1 1 1 0   37 4  o 139.5666 4.414191 198.6548       12.52806  196.5496       
15.11001  203.2852       22.40893  138.7261 5.356182 140.5069 7.874537 
-1.780807      9.523499 
1 1 1 0   37 5  o 65.72583 7.759425 44.95901       10.17091  39.59630       
12.42731  55.83867       17.70077  61.05598 10.38075 72.21642 12.50622 
-11.16044      16.25317 
1 1 1 0   37 6  o 96.83905 5.808800 96.26410       11.38616  106.5112       
13.88786  75.25316       19.88645  101.7171 6.752516 84.19022 11.95116 
17.52685       13.72686 
1 1 1 0   37 7  o 77.98512 6.987863 62.90334       10.96420  59.86260       
13.28044  69.41263       19.43077  75.68272 8.792953 80.63974 12.23320 
-4.957016      15.06543 
1 1 1 0   37 8  o 308.3551 4.236588 970.3651       26.56555  963.6949       
30.78224  989.8314       52.58656  307.0923 4.929237 309.7834 8.347669 
-2.691071      9.694377 
1 1 1 0   37 9  o 26.66206 11.43756 -0.1922812     11.11257  1.620358       
13.39788  -4.188452      19.89310  30.20135 12.74119 33.66823 14.85627 
-3.466879      19.57158 
1 1 1 0   37 10 o 199.6338 5.410324 408.1214       21.96387  401.3079       
27.10582  421.1486       37.48009  197.5708 6.746653 201.4673 9.148388 
-3.896500      11.36707 
1 1 1 0   37 11 o 122.8295 5.793697 154.7826       14.47138  153.3045       
16.98664  158.6949       27.63506  121.8314 6.884594 122.4165 11.22624 
-0.5850906     13.16913 
1 1 1 0   37 12 o 68.21599 13.80095 51.47504       18.48714  23.75084       
32.25968  65.03241       22.55892  52.76192 20.66878 76.37650 15.05992 
-23.61457      25.57342 
1 1 1 0   37 13 o 81.54819 10.18938 70.74654       16.52837  75.62177       
22.92665  65.47071       23.84996  82.77699 14.12709 76.13081 15.91768 
6.646187       21.28255 
1 1 1 0   37 14 o 57.18050 14.24243 36.83113       16.49886  65.89687       
23.81079  9.987066       22.88269  76.14146 15.89160 41.50992 17.00478 
34.63155       23.27457 
1 1 1 0   37 15 o 74.40105 13.59375 61.92656       19.80906  38.17456       
33.09893  75.18174       24.72616  58.27207 21.35629 81.10915 15.55713 
-22.83708      26.42187 
1 1 1 0   37 16 o 47.24056 15.23011 25.42505       16.64275  -6.925431      
23.24475  59.45170       23.83933  34.25620 15.51319 70.38293 16.87484 
-36.12673      22.92203 
1 1 1 0   37 17 o 97.12514 14.19191 110.1257       27.20287  110.1257       
27.20287  0.000000       0.000000  97.12514 14.19191 ?        ?        
0.000000       14.19191 
1 1 1 0   37 18 o 56.24231 15.57646 40.53150       18.42558  66.77643       
34.21124  29.80804       21.86823  65.63000 21.87638 48.11849 17.40085 
17.51151       27.95292 
1 1 1 0   38 0  o 185.9388 7.442319 353.0778       28.14036  0.000000       
0.000000  353.0778       28.14036  ?        ?        185.9388 7.442319 
0.000000       7.442319 
1 1 1 0   38 1  o 273.9657 4.368822 765.4937       24.33951  798.6816       
44.20292  751.0529       29.15790  278.9140 7.793440 271.1769 5.287521 
7.737091       9.417833 
1 1 1 0   38 2  o 138.9080 4.671080 196.8932       13.19459  203.2437       
22.69304  193.6498       16.21773  140.4304 7.979515 137.6267 5.794767 
2.803696       9.861643 
1 1 1 0   38 3  o 67.63036 8.736049 47.85948       11.73372  40.66316       
15.86990  56.53741       17.42717  61.24152 13.13690 72.73355 12.21564 
-11.49203      17.93879 
1 1 1 0   38 4  o 85.17125 5.979363 74.58809       10.29054  66.51962       
12.41653  92.28699       18.38983  80.09898 7.718464 93.99111 9.763916 
-13.89213      12.44623 
1 1 1 0   38 5  o 148.3276 4.436086 224.5363       13.38053  211.6187       
15.89680  255.9298       24.78214  143.8637 5.433842 157.7616 7.724778 
-13.89787      9.444513 
1 1 1 0   38 6  o 125.1215 4.956817 159.9697       12.61207  161.1389       
15.09739  157.2689       22.94475  125.4461 5.918246 122.9819 9.242263 
2.464218       10.97475 
1 1 1 0   38 7  o 95.25371 5.989702 93.32455       11.54307  95.99008       
13.87706  87.33841       20.79601  96.38194 7.130896 90.72920 11.53204 
5.652740       13.55867 
1 1 1 0   38 8  o 102.8461 5.944291 108.7765       12.37894  97.97182       
14.56728  136.8543       23.48311  97.27248 7.420378 114.2252 10.21770 
-16.95276      12.62788 
1 1 1 0   38 9  o 40.48850 12.63875 17.31429       11.54145  6.801856       
13.73989  42.50904       21.27094  33.57786 13.38252 61.49740 16.61560 
-27.91954      21.33471 
1 1 1 0   38 10 o 152.8131 7.585382 241.1551       23.57163  241.1551       
23.57163  0.000000       0.000000  152.8131 7.585382 ?        ?        
0.000000       7.585382 
1 1 1 0   38 11 o 76.08896 8.399206 60.77152       12.77942  58.95622       
15.14703  65.25532       23.80544  74.35613 10.29359 76.12385 15.89142 
-1.767715      18.93397 
1 1 1 0   38 12 o 162.5100 10.13054 278.1786       33.31173  0.000000       
0.000000  278.1786       33.31173  ?        ?        162.5100 10.13054 
0.000000       10.13054 
1 1 1 0   38 13 o 33.81898 14.00389 4.825568       15.73849  16.42210       
22.45300  -6.375853      22.06719  44.48989 17.29450 34.24655 15.34488 
10.24334       23.12067 
1 1 1 0   38 14 o 36.37013 14.57431 8.727749       16.38770  27.40644       
24.14614  -7.223343      22.31361  50.89104 18.30070 33.96782 15.30748 
16.92322       23.85863 
1 1 1 0   38 15 o 117.0843 9.072149 145.4310       21.43168  132.8226       
36.96613  151.8149       26.30354  105.9838 17.78175 118.4805 11.04461 
-12.49676      20.93260 
1 1 1 0   38 16 o 36.48981 14.48243 10.66165       16.02947  15.05335       
23.63227  6.919465       21.81483  42.73047 17.36708 38.10316 16.17628 
4.627304       23.73368 
1 1 1 0   38 17 o 53.32032 14.73496 35.03364       16.50858  55.15756       
25.71148  20.91838       21.53353  63.99306 18.62908 43.68689 16.94941 
20.30618       25.18581 
1 1 1 0   38 18 o 33.10790 14.50174 3.960156       18.63986  43.52624       
35.44862  -11.16040      21.91400  52.97353 21.36185 30.13457 14.13710 
22.83896       25.61613 
1 1 1 0   39 1  o 145.7118 4.568723 216.7174       13.53758  260.1346       
23.93276  196.2895       16.41625  159.1441 7.395213 138.5065 5.828443 
20.63766       9.415939 
1 1 1 0   39 2  o 143.0784 4.645517 208.9999       13.51636  204.9675       
23.57204  210.9752       16.49803  140.8371 8.266784 143.6127 5.649209 
-2.775604      10.01266 
1 1 1 0   39 3  o 148.4672 4.281992 224.9275       12.92790  231.7278       
15.56117  209.7776       23.22647  150.5847 5.081713 142.5165 8.047225 
8.068192       9.517439 
1 1 1 0   39 4  o 193.2918 4.022367 381.1402       15.81054  386.5526       
18.73845  367.7652       29.45668  194.5353 4.736786 189.0514 7.662182 
5.483841       9.008118 
1 1 1 0   39 5  f 108.9725 5.207498 121.4448       11.53977  120.3276       
14.01748  123.7943       20.32755  108.1255 6.403678 108.9706 9.261040 
-0.8450089     11.25939 
1 1 1 0   39 6  o 171.1330 4.296428 299.0208       14.95178  310.4006       
17.96438  273.3658       26.97302  174.2166 5.070740 162.5428 8.186637 
11.67374       9.629820 
1 1 1 0   39 7  f 50.22858 10.46134 27.24783       10.33833  21.25096       
12.49627  40.25532       18.40410  44.35889 13.00850 60.16301 15.07396 
-15.80412      19.91094 
1 1 1 0   39 8  o 71.70107 14.67259 56.90836       20.67282  0.000000       
0.000000  56.90836       20.67282  ?        ?        71.70107 14.67259 
0.000000       14.67259 
1 1 1 0   39 9  o 65.22169 9.400811 45.15218       12.10824  55.24377       
14.54521  22.37400       21.85242  72.01883 10.21823 47.95633 17.38652 
24.06250       20.16689 
1 1 1 0   39 10 o 60.87084 15.51243 41.88039       19.25760  41.88039       
19.25760  0.000000       0.000000  60.87084 15.51243 ?        ?        
0.000000       15.51243 
1 1 1 0   39 11 o 93.18793 7.329692 90.35401       13.77772  94.83434       
16.60730  80.46205       24.67662  95.05584 8.687539 85.00585 14.81378 
10.04999       17.17328 
1 1 1 0   39 12 o 36.21335 14.17475 9.665980       15.16335  13.72332       
19.97925  4.153844       23.28727  41.66833 16.28159 39.18067 16.67561 
2.487656       23.30593 
1 1 1 0   39 13 o 60.59517 11.82580 40.43983       14.04896  40.20288       
17.61983  40.85340       23.27787  59.43940 14.66714 59.22260 17.85056 
0.2168045      23.10340 
1 1 1 0   39 14 o 127.4023 7.249732 169.2999       18.70473  194.0922       
27.76151  148.6885       25.31272  134.8228 10.20129 117.6330 10.69873 
17.18980       14.78273 
1 1 1 0   39 15 o 97.64378 9.435170 102.3513       18.50121  87.73282       
27.04536  115.2094       25.36476  86.26752 16.00612 101.6930 12.53067 
-15.42543      20.32766 
1 1 1 0   39 16 o 87.60284 11.81099 86.59828       20.50418  48.03022       
25.16620  162.7543       35.36354  60.59870 18.62162 116.9749 15.22759 
-56.37622      24.05502 
1 1 1 0   39 17 o 24.96675 11.76653 -12.10735      15.48829  -6.292244      
22.54248  -17.30708      21.31639  32.29760 14.87065 28.39442 13.50598 
3.903177       20.08850 
1 1 1 0   39 18 f 28.99238 13.30702 -4.309597      17.85905  -48.55344      
31.27755  17.09270       21.75387  28.46305 14.12683 39.68255 16.45058 
-11.21950      21.68384 
1 1 1 0   40 0  o 182.4653 5.309605 339.5316       19.70126  331.9564       
27.21779  347.8688       28.55377  180.1610 7.429175 184.4014 7.614614 
-4.240326      10.63837 
1 1 1 0   40 1  f 261.0011 3.741406 694.7087       19.85768  718.8218       
28.48264  671.9029       27.69973  265.0994 5.283480 256.2926 5.314813 
8.806793       7.494157 
1 1 1 0   40 2  o 42.85622 9.661843 19.78273       8.219079  27.85273       
11.39043  11.01659       11.87156  50.68380 11.33547 35.25668 12.80994 
15.42712       17.10519 
1 1 1 0   40 3  f 84.89461 5.855669 74.18305       10.04718  82.21534       
12.12061  56.54229       17.96236  89.22589 6.729612 72.33629 12.67301 
16.88960       14.34897 
1 1 1 0   40 4  f 153.5919 4.295032 240.8835       13.41486  233.2828       
15.90920  259.5834       24.95422  151.0034 5.180961 158.6883 7.732994 
-7.684921      9.308144 
1 1 1 0   40 5  o 132.8280 4.644462 180.3249       12.54517  186.1925       
15.08749  167.1799       22.58220  134.8308 5.502707 126.7550 8.815781 
8.075836       10.39220 
1 1 1 0   40 6  o 90.42216 6.027211 84.26109       11.01913  95.82876       
13.49261  61.09471       19.09422  96.25389 6.939836 74.98165 12.99341 
21.27224       14.73058 
1 1 1 0   40 7  o 201.6599 4.214611 415.4673       17.28337  410.0756       
20.30743  429.6351       32.91906  200.1556 4.989256 203.8332 7.941839 
-3.677612      9.378992 
1 1 1 0   40 8  o 48.75863 12.18134 26.15741       12.04324  26.71253       
15.26867  25.24345       19.59180  49.21470 14.36413 48.93470 16.55476 
0.2799988      21.91776 
1 1 1 0   40 9  o 123.1781 5.619273 155.7903       14.07554  159.5793       
16.67508  146.3995       26.25172  124.2630 6.622839 117.2812 11.14101 
6.981827       12.96087 
1 1 1 0   40 10 o 84.67917 9.313894 75.83121       15.77325  75.83121       
15.77325  0.000000       0.000000  84.67917 9.313894 ?        ?        
0.000000       9.313894 
1 1 1 0   40 11 f 96.22535 7.071981 96.29374       13.74132  96.32122       
16.35095  96.22767       25.35447  95.77544 8.483089 93.42047 13.75828 
2.354973       16.16332 
1 1 1 0   40 12 o 120.6178 7.418303 151.5087       18.10743  164.7677       
23.19803  130.8337       28.96807  125.0302 9.188359 109.2202 13.31845 
15.80998       16.18046 
1 1 1 0   40 13 o 79.45748 9.386881 67.37754       14.87431  67.46414       
18.34038  67.21112       25.42500  78.44654 11.86781 75.66299 16.94561 
2.783546       20.68812 
1 1 1 0   40 14 o 51.55253 14.97383 30.93674       16.62823  8.554020       
24.40912  50.31863       22.71400  40.79109 17.20257 64.60503 17.04306 
-23.81395      24.21559 
1 1 1 0   40 15 o 33.83129 14.07111 6.280747       15.99096  25.51251       
24.37491  -8.250555      21.18780  47.94178 18.17541 31.79493 14.55678 
16.14686       23.28616 
1 1 1 0   40 16 o 46.61729 16.11355 26.82484       18.58216  14.86401       
23.61746  46.26141       30.10666  41.17242 17.11044 57.12163 20.44623 
-15.94921      26.66113 
1 1 1 0   40 17 o 60.14632 13.38319 44.89973       15.94690  54.77225       
23.90608  36.98472       21.40524  61.96592 17.94135 51.40194 17.30439 
10.56398       24.92657 
1 1 1 0   41 1  o 33.87556 10.47334 11.98315       7.946964  17.62337       
10.74486  5.172103       11.80756  40.59936 12.10315 30.77936 12.35798 
9.819996       17.29757 
1 1 1 0   41 2  o 84.22098 5.333971 72.91035       9.088115  71.34606       
12.44379  74.69848       13.30440  82.87946 7.463424 84.73654 7.808852 
-1.857086      10.80189 
1 1 1 0   41 3  o 80.94473 6.175830 67.63824       10.08894  70.54707       
12.28447  61.61073       17.68341  82.41017 7.409544 75.69698 11.87881 
6.713196       14.00026 
1 1 1 0   41 4  o 176.4407 4.114699 317.9275       14.76346  308.9535       
17.52132  339.8956       27.41387  173.7604 4.958662 181.5383 7.425927 
-7.777863      8.929317 
1 1 1 0   41 5  o 194.0217 4.103795 384.5050       16.19151  402.2264       
19.55530  345.8679       28.87477  198.2635 4.850319 182.9462 7.761463 
15.31723       9.152371 
1 1 1 0   41 6  o 106.1635 5.493968 115.8852       11.82016  125.1666       
14.51399  97.60548       20.36878  110.1012 6.511465 95.91663 10.62115 
14.18457       12.45825 
1 1 1 0   41 7  o 57.84877 9.721572 35.86663       11.03057  44.41648       
13.40751  17.95773       19.40453  64.23697 10.63604 44.06099 16.31700 
20.17598       19.47742 
1 1 1 0   41 8  o 120.2472 5.974243 148.7197       14.60862  148.5922       
18.14610  148.9546       24.62683  119.5810 7.500217 118.6070 10.31315 
0.9739609      12.75203 
1 1 1 0   41 9  o 87.40505 7.418336 79.68787       13.06091  67.29548       
15.45933  110.5925       24.41322  79.51941 9.765413 101.1522 12.10928 
-21.63279      15.55629 
1 1 1 0   41 10 o 99.94712 8.348964 104.8201       16.81355  104.8201       
16.81355  0.000000       0.000000  99.94712 8.348964 ?        ?        
0.000000       8.348964 
1 1 1 0   41 11 o 114.9631 6.488780 136.9674       15.10757  145.8913       
18.29057  117.8079       26.80049  118.2332 7.648378 103.6812 12.99694 
14.55200       15.08039 
1 1 1 0   41 12 o 53.34467 13.21041 32.17542       14.25521  28.49594       
17.52777  39.36417       24.49965  50.10886 15.56445 57.83094 18.46131 
-7.722073      24.14688 
1 1 1 0   41 13 o 46.84827 14.06238 24.97089       14.46834  -4.809791      
17.46630  90.08623       25.82708  30.39317 13.63269 88.70583 14.84201 
-58.31266      20.15281 
1 1 1 0   41 14 o 61.46838 11.89451 42.69172       14.33041  45.71227       
18.18188  37.73802       23.28415  62.21734 14.61853 55.34346 18.02861 
6.873878       23.21061 
1 1 1 0   41 15 o 49.23606 14.46057 29.37741       15.43142  33.70649       
22.83834  25.74065       20.93263  51.55648 17.86141 46.60223 16.99814 
4.954254       24.65698 
1 1 1 0   41 16 o 45.99331 16.38943 27.21181       19.32420  35.35900       
23.89673  11.81746       32.84845  50.61975 18.20564 42.22466 18.83468 
8.395084       26.19524 
1 1 1 0   41 17 o 35.25142 14.04693 13.13418       15.13551  20.98918       
23.24625  7.353823       19.94147  41.37259 17.06596 34.41711 15.03927 
6.955479       22.74702 
1 1 1 0   42 0  o 228.9735 5.254853 535.0842       24.46793  551.1368       
34.80920  519.4067       34.40018  231.9606 7.379524 225.1541 7.513279 
6.806503       10.53123 
1 1 1 0   42 1  o 176.2448 3.807132 317.0833       13.64475  333.8368       
19.35781  300.5402       19.23595  180.5136 5.273450 171.2120 5.524948 
9.301682       7.637691 
1 1 1 0   42 2  o 18.96490 8.680968 -4.983200      7.529787  -9.159242      
10.25445  -0.9687523E-01 11.09229  21.00618 9.794426 26.59903 11.41928 
-5.592842      15.04429 
1 1 1 0   42 3  o 75.57050 6.600825 59.21476       10.04203  50.04721       
12.30011  77.53925       17.38995  68.82754 9.003978 85.52247 10.20050 
-16.69493      13.60595 
1 1 1 0   42 4  o 74.32004 6.729370 57.35226       10.05995  67.39044       
12.33412  37.40472       17.38704  80.38359 7.637271 57.75971 14.75077 
22.62388       16.61064 
1 1 1 0   42 5  o 223.5535 4.058271 510.7016       18.44905  513.9592       
21.96900  502.9080       33.98039  224.0342 4.822192 220.4706 7.579253 
3.563644       8.983240 
1 1 1 0   42 6  o 74.21257 7.266409 57.46358       10.82532  59.16298       
13.31870  54.15546       18.58250  74.83883 8.927729 69.92356 13.55796 
4.915268       16.23338 
1 1 1 0   42 7  o 221.7441 4.227179 502.9968       19.06137  518.4995       
22.55666  464.2753       35.64895  224.8892 4.932359 211.2191 8.299696 
13.67017       9.654695 
1 1 1 0   42 8  o 40.31451 12.95898 17.34160       12.05601  26.94349       
15.18689  0.9793056      19.82497  49.05846 14.32764 35.19452 15.18905 
13.86394       20.88034 
1 1 1 0   42 9  o 29.10197 12.67759 -1.019983      14.07316  -11.07397      
18.70738  12.08778       21.36033  29.54996 13.58376 41.37650 16.61845 
-11.82655      21.46372 
1 1 1 0   42 10 o 40.34518 14.56604 15.96716       15.31434  15.96716       
15.31434  0.000000       0.000000  40.34518 14.56604 ?        ?        
0.000000       14.56604 
1 1 1 0   42 11 o 29.19452 12.48334 1.107225       13.16053  -4.326310      
15.90361  12.91135       23.44074  29.29340 13.08313 42.66687 17.31289 
-13.37347      21.70033 
1 1 1 0   42 12 o 101.1944 7.511682 107.4503       15.34742  113.8168       
18.76289  94.57866       26.67884  103.4776 9.006470 90.91013 14.95112 
12.56748       17.45430 
1 1 1 0   42 13 o 50.58887 13.85362 29.80617       14.67039  19.22945       
17.81245  52.10933       25.86613  42.82712 15.67121 64.33097 18.67283 
-21.50385      24.37747 
1 1 1 0   42 14 o 36.49616 14.03360 12.47851       14.66067  6.679126       
17.16616  28.11008       28.18277  34.61895 14.50363 49.49139 19.33771 
-14.87245      24.17235 
1 1 1 0   42 15 o 26.22522 11.68161 -1.705168      12.58831  -3.961247      
16.24708  1.683496       19.91188  28.55583 12.94725 33.44413 14.80492 
-4.888294      19.66766 
1 1 1 0   42 16 o 91.61220 10.96272 97.81487       20.01751  118.4946       
25.19977  62.45250       32.95298  98.66233 12.86637 60.44022 21.41670 
38.22211       24.98436 
1 1 1 0   43 1  o 47.98024 9.037859 24.72908       8.494682  25.25508       
11.56508  24.11282       12.51802  47.88544 11.92260 46.75046 12.79482 
1.134987       17.48874 
1 1 1 0   43 2  o 61.65107 6.676125 39.62347       8.236120  40.57909       
11.12002  38.46222       12.25826  61.76081 9.129162 59.69445 10.48053 
2.066364       13.89903 
1 1 1 0   43 3  o 44.56938 10.52182 21.71047       9.383302  19.92806       
11.63106  25.03288       15.87970  42.73915 12.55482 47.76598 14.81103 
-5.026833      19.41623 
1 1 1 0   43 4  o 91.26803 5.880618 86.00859       10.85614  79.55315       
13.09019  100.2300       19.42919  87.35670 7.439701 97.23972 9.966404 
-9.883018      12.43698 
1 1 1 0   43 5  o 66.60977 7.848031 46.66298       10.42640  28.93637       
12.82841  81.16193       17.89629  51.02815 12.46869 87.22810 10.28704 
-36.19995      16.16451 
1 1 1 0   43 6  o 72.79370 7.727322 55.61853       11.26373  55.25092       
13.75847  56.36565       19.61448  71.93701 9.648307 70.90378 14.10006 
1.033234       17.08512 
1 1 1 0   43 7  o 120.7773 5.883480 150.2775       14.45010  145.2784       
18.03366  159.2445       24.15264  118.0294 7.553113 122.5871 9.769891 
-4.557632      12.34910 
1 1 1 0   43 8  o 93.95168 6.654790 91.77229       12.63197  105.7900       
15.52599  64.32391       21.72597  100.5600 7.649828 75.31122 14.71390 
25.24882       16.58369 
1 1 1 0   43 9  o 81.90974 9.447578 71.58057       15.44793  81.16752       
20.69681  59.52164       23.21228  86.03584 12.16918 71.43905 16.33390 
14.59679       20.36873 
1 1 1 0   43 10 o 61.94939 10.99326 42.11662       13.34170  48.02535       
16.43006  30.67774       22.86040  65.47780 12.79815 52.08420 17.87992 
13.39360       21.98828 
1 1 1 0   43 11 o 29.30301 12.56681 1.099722       13.40818  6.353661       
16.97408  -7.618655      21.86561  35.09953 14.53942 33.07453 15.00532 
2.024994       20.89388 
1 1 1 0   43 12 o 100.5628 7.650998 106.6864       15.52876  127.0239       
19.13376  67.43948       26.57997  109.2234 8.686320 73.96782 17.87078 
35.25562       19.87000 
1 1 1 0   43 13 o 37.46273 14.01161 13.92941       14.37861  6.515340       
17.38765  29.96538       25.57174  34.79323 14.58780 50.24676 18.70681 
-15.45353      23.72232 
1 1 1 0   43 14 o 91.12502 9.744498 91.80233       17.77721  81.63133       
21.39034  114.5157       31.96513  83.35831 13.04665 94.57366 17.25678 
-11.21535      21.63358 
1 1 1 0   43 15 o 34.99575 13.65261 12.54050       14.03093  0.3350085      
15.87695  56.06209       29.98071  29.56706 13.14787 59.50903 20.47327 
-29.94197      24.33149 
1 1 1 0   43 16 o 53.99818 15.59970 40.96319       18.09103  70.47677       
23.93382  1.624308       27.63199  69.93058 16.99653 35.32557 16.33527 
34.60501       23.57378 
1 1 1 0   44 0  o 89.92850 7.520971 83.60110       13.62753  90.50788       
18.71459  75.80506       19.88291  93.01785 10.05371 84.54330 11.89398 
8.474541       15.57381 
1 1 1 0   44 1  o 72.60387 6.282467 54.72678       9.184178  64.73687       
12.78673  44.05934       13.19990  78.49828 8.128051 63.85291 10.53304 
14.64536       13.30452 
1 1 1 0   44 2  o 141.2479 3.922810 203.9654       11.26758  227.4346       
15.77015  179.4901       16.10464  148.8437 5.210196 132.0223 5.998633 
16.82140       7.945423 
1 1 1 0   44 3  o 101.3469 5.428994 105.8461       11.14809  101.8207       
13.70938  113.7038       19.15404  99.00402 6.851602 103.8061 9.167953 
-4.802094      11.44534 
1 1 1 0   44 4  o 22.73917 10.08517 -2.629877      9.282532  -1.056957      
11.54702  -5.503228      15.60670  26.39989 11.49235 28.63397 12.86208 
-2.234083      17.24840 
1 1 1 0   44 5  o 64.43000 8.224382 43.96056       10.52981  29.18255       
12.71040  76.29333       18.80065  51.11079 12.36378 83.91765 11.30477 
-32.80686      16.75294 
1 1 1 0   44 6  o 50.40107 10.69075 27.94431       10.61762  30.35184       
12.93566  22.97321       18.58787  52.06547 12.39591 46.39799 16.11156 
5.667480       20.32833 
1 1 1 0   44 7  o 172.6975 5.082907 306.5668       17.85046  320.8555       
22.43694  281.9266       29.46382  176.1824 6.262525 163.5798 8.890830 
12.60269       10.87502 
1 1 1 0   44 8  o 138.0185 5.344236 196.1243       14.99942  208.7421       
18.18162  169.2391       26.53981  142.0475 6.294304 125.6330 10.48403 
16.41445       12.22838 
1 1 1 0   44 9  o 80.71515 9.948918 70.13200       15.98421  81.29008       
21.17507  55.35231       24.37040  85.68285 12.52255 67.90201 17.52929 
17.78085       21.54276 
1 1 1 0   44 10 o 62.91990 10.81235 43.55629       13.33580  46.08949       
16.41125  38.63189       22.88148  63.72896 13.10122 56.72837 17.81006 
7.000591       22.10973 
1 1 1 0   44 11 o 155.4107 6.516606 251.3381       20.59462  267.4300       
26.58632  227.1946       32.56521  159.0259 8.249608 144.2289 11.19088 
14.79701       13.90294 
1 1 1 0   44 12 o 92.89675 8.358356 92.34321       15.62061  87.62997       
18.92324  102.4238       27.67439  89.12898 10.65161 93.00004 15.15532 
-3.871056      18.52406 
1 1 1 0   44 13 o 98.81538 7.946239 104.7734       15.83252  98.01149       
18.64237  122.2712       29.98874  94.23845 9.874624 100.4371 15.15435 
-6.198692      18.08763 
1 1 1 0   44 14 o 28.04811 12.67697 -2.880786      15.43473  -13.13216      
18.45081  21.01505       28.16991  27.07671 12.78582 43.88645 18.49267 
-16.80974      22.48235 
1 1 1 0   44 15 o 50.90813 13.38258 33.41917       14.03685  26.01028       
15.97824  58.47090       29.38131  43.98722 14.94997 58.78537 20.26511 
-14.79815      25.18286 
1 1 1 0   45 1  o 38.04031 10.64714 15.83698       8.561447  24.96835       
11.83402  5.809150       12.40132  47.29122 12.21843 31.37337 12.64074 
15.91785       17.58063 
1 1 1 0   45 2  o 100.4712 4.865307 103.6183       9.940384  104.3218       
13.82010  102.8643       14.30826  100.1346 6.827698 99.32731 7.131270 
0.8072662      9.872815 
1 1 1 0   45 3  o 66.47448 7.811996 46.63795       10.35874  55.68832       
12.82168  29.62800       17.57776  72.34467 8.903292 51.00292 15.54299 
21.34174       17.91237 
1 1 1 0   45 4  o 177.5109 4.631918 323.2975       16.72005  330.2165       
20.97972  311.2525       27.68087  178.9583 5.764961 172.7043 7.881793 
6.253952       9.765113 
1 1 1 0   45 5  o 54.61162 9.816248 32.44108       10.50064  30.16380       
12.87364  36.96810       18.15094  51.79706 12.38886 56.44156 15.39029 
-4.644493      19.75714 
1 1 1 0   45 6  o 45.30989 11.72642 22.97576       10.88800  19.80671       
13.41129  29.10299       18.64827  42.48071 13.66931 50.43615 16.10714 
-7.955444      21.12558 
1 1 1 0   45 7  o 141.2090 5.586499 205.7032       16.04181  193.2376       
20.35191  226.1539       26.06765  135.9476 7.389525 146.2738 8.804652 
-10.32619      11.49465 
1 1 1 0   45 8  o 86.54390 7.481113 78.74819       13.03655  64.14526       
15.76449  110.3362       23.18576  76.88157 10.34604 100.4400 11.56281 
-23.55840      15.51577 
1 1 1 0   45 9  o 77.65022 14.02396 68.95851       21.32952  68.95851       
21.32952  0.000000       0.000000  77.65022 14.02396 ?        ?        
0.000000       14.02396 
1 1 1 0   45 10 f 50.20137 13.57329 29.27255       14.18867  33.83714       
17.26819  19.78645       24.89370  53.39480 15.18338 45.65524 18.07071 
7.739555       23.60266 
1 1 1 0   45 11 o 33.32473 13.94406 5.681860       15.83820  17.26166       
20.87612  -10.02273      24.31154  42.31014 16.61121 33.45195 15.41735 
8.858196       22.66334 
1 1 1 0   45 12 o 111.4344 7.258757 131.8624       16.35897  123.6480       
19.27534  153.0157       30.93159  106.7164 8.965251 114.3823 13.56237 
-7.665833      16.25773 
1 1 1 0   45 13 o 37.39905 13.86534 15.45461       14.01920  11.29123       
16.50982  26.21611       26.54335  35.74687 14.52089 46.16438 18.53097 
-10.41751      23.54258 
1 1 1 0   45 14 o 64.55771 12.33478 50.98877       15.60272  38.33016       
18.12544  87.20680       30.65900  52.77914 15.71634 75.12929 19.79169 
-22.35015      25.27279 
1 1 1 0   45 15 o 25.72796 12.24586 -11.67209      17.58310  -15.90079      
21.39456  -2.871954      30.86347  27.27016 13.11973 34.65032 16.41439 
-7.380159      21.01332 
1 1 1 0   46 0  o 147.7955 5.879796 223.8214       17.67157  214.4877       
25.12072  232.9654       24.86399  143.7985 8.630584 150.0322 8.180457 
-6.233719      11.89146 
1 1 1 0   46 1  o 117.4109 4.646110 141.5281       11.09300  145.0866       
15.75449  138.0292       15.62210  118.1330 6.584335 115.1708 6.699250 
2.962196       9.393264 
1 1 1 0   46 2  f 97.50223 5.705973 98.41455       11.26415  119.2680       
13.78786  56.56475       19.53234  107.1453 6.356498 70.45787 14.12425 
36.68746       15.48869 
1 1 1 0   46 3  o 61.03339 8.518701 39.81715       10.28465  31.96376       
12.75463  54.41449       17.38906  53.36013 12.04049 69.71040 12.73600 
-16.35026      17.52652 
1 1 1 0   46 4  o 82.60548 6.732440 71.30769       11.21085  65.73193       
13.54930  83.41086       19.96249  78.61319 8.616794 87.25618 11.53301 
-8.642990      14.39651 
1 1 1 0   46 5  o 42.80790 11.96319 20.54977       10.81740  34.35298       
13.34619  -5.883582      18.46900  55.21498 12.21047 30.85686 13.91404 
24.35812       18.51206 
1 1 1 0   46 6  o 68.11669 8.538539 49.56251       11.56750  44.69949       
14.44831  58.24477       19.30547  63.37568 11.63990 71.44066 13.78818 
-8.064983      18.04443 
1 1 1 0   46 7  o 28.52575 12.02211 2.443869       11.90878  8.583125       
15.59185  -6.152133      18.44965  35.23536 14.18191 30.65047 13.85592 
4.584881       19.82708 
1 1 1 0   46 8  o 89.12288 7.493747 83.74894       13.45519  75.45147       
16.07026  103.2045       24.60778  83.60024 9.628832 95.85365 12.95647 
-12.25340      16.14263 
1 1 1 0   46 9  o 69.44731 12.72187 54.92266       17.30417  54.92266       
17.30417  0.000000       0.000000  69.44731 12.72187 ?        ?        
0.000000       12.72187 
1 1 1 0   46 10 o 45.17462 13.96662 23.88970       14.13233  34.94882       
17.12097  0.2425056      25.03559  53.75200 15.06064 37.09549 16.50219 
16.65651       22.34156 
1 1 1 0   46 11 o 137.3694 7.018872 199.6112       19.54144  197.6795       
24.04043  203.3734       33.54971  135.2283 8.789968 133.2117 12.53229 
2.016541       15.30758 
1 1 1 0   46 12 o 44.48186 13.95113 24.34929       14.04413  23.80744       
16.59207  25.71840       26.37444  43.92163 15.22373 46.08556 18.48159 
-2.163929      23.94433 
1 1 1 0   46 13 o 33.77152 13.42576 11.26650       13.79675  9.003593       
16.11964  17.46493       26.67861  33.56963 14.05876 41.05654 17.66969 
-7.486912      22.58023 
1 1 1 0   46 14 o 63.60759 12.39853 51.00104       15.46099  47.74361       
17.79286  61.04265       31.23992  58.83605 14.86573 56.98832 20.76877 
1.847733       25.54079 
1 1 1 0   47 1  o 99.54985 5.232383 102.4265       10.55517  108.7031       
15.01057  96.28734       14.84534  101.7957 7.299778 95.61024 7.700729 
6.185410       10.61075 
1 1 1 0   47 2  o 37.07062 11.54261 15.01089       9.633184  16.84576       
11.82192  11.38495       16.61866  39.34283 12.84770 37.58015 14.79959 
1.762684       19.59825 
1 1 1 0   47 3  o 25.84828 10.86743 1.891360       9.693144  2.132605       
11.83791  1.400517       16.88564  28.26499 11.95320 32.44407 14.00993 
-4.179075      18.41622 
1 1 1 0   47 4  o 110.9779 5.637491 127.6289       12.68076  118.6728       
15.54312  145.4555       21.92868  106.3576 7.229432 116.6490 9.322310 
-10.29140      11.79704 
1 1 1 0   47 5  o 115.9747 5.606685 139.0627       13.22272  137.4664       
16.08320  142.3920       23.22715  114.6133 6.933219 114.9065 10.04115 
-0.2932053     12.20223 
1 1 1 0   47 6  o 63.04773 9.499547 43.21447       11.80131  49.45261       
14.71391  31.96479       19.75924  66.72252 11.24414 51.86504 16.58174 
14.85748       20.03459 
1 1 1 0   47 7  o 94.93272 7.461685 95.10636       14.28862  105.5430       
18.17872  78.23569       23.11265  99.16859 9.116498 82.15121 14.35785 
17.01739       17.00760 
1 1 1 0   47 8  o 41.00207 13.49895 18.87192       13.04098  9.923175       
16.23192  35.16482       21.90222  36.04742 14.48370 53.46598 17.48876 
-17.41856      22.70758 
1 1 1 0   47 9  o 55.09501 15.10047 36.96033       17.42125  36.96033       
17.42125  0.000000       0.000000  55.09501 15.10047 ?        ?        
0.000000       15.10047 
1 1 1 0   47 10 o 91.40565 8.458188 90.35863       15.54356  99.93526       
18.73389  69.20092       27.84555  95.20253 9.817604 71.71040 18.84768 
23.49213       21.25136 
1 1 1 0   47 11 o 101.8054 14.76772 127.6576       29.68051  0.000000       
0.000000  127.6576       29.68051  ?        ?        101.8054 14.76772 
0.000000       14.76772 
1 1 1 0   47 12 o 115.0409 6.919603 142.2615       16.11239  139.5483       
18.77406  149.8473       31.39155  112.6661 8.251731 108.7855 14.55513 
3.880585       16.73149 
1 1 1 0   47 13 o 33.07471 13.25066 11.47205       13.54273  15.20821       
15.51241  -0.5014078     27.77002  36.01519 14.26183 34.48742 16.09288 
1.527775       21.50303 
1 1 1 0   47 14 o 56.02089 12.37888 41.03347       13.72641  45.15738       
15.43366  25.42576       30.02505  57.69855 13.40900 40.54525 18.05205 
17.15330       22.48728 
1 1 1 0   48 0  o 90.55268 8.295371 85.64532       15.10549  81.66052       
20.46204  90.41772       22.39310  87.22205 11.84265 91.65865 12.32654 
-4.436600      17.09362 
1 1 1 0   48 1  o 32.77959 11.40851 10.90611       9.322462  31.14779       
12.93153  -10.99699      13.45176  52.21006 12.36972 23.86254 11.15680 
28.34753       16.65785 
1 1 1 0   48 2  o 87.47789 6.654599 80.17841       11.74904  74.18574       
14.14893  93.48811       21.08617  83.37000 8.463002 91.94157 11.53175 
-8.571571      14.30398 
1 1 1 0   48 3  o 57.77407 9.499447 36.46482       10.77248  34.27291       
13.23134  40.77444       18.55292  54.85984 12.17802 58.41116 15.40017 
-3.551327      19.63337 
1 1 1 0   48 4  o 20.32871 9.605609 -10.71015      10.44447  -15.71454      
13.02563  -1.698703      17.47914  21.78720 10.41688 31.36332 13.87806 
-9.576120      17.35258 
1 1 1 0   48 5  o 52.29309 11.37150 30.91945       11.74788  31.69509       
14.57151  29.47901       19.85738  52.06512 13.61022 49.84617 16.66755 
2.218952       21.51848 
1 1 1 0   48 6  o 47.59401 12.12038 26.04375       11.76226  12.85573       
14.68222  49.67292       19.65288  36.99973 14.08722 64.30287 15.25890 
-27.30314      20.76737 
1 1 1 0   48 7  o 62.78810 10.12082 43.65438       12.48313  51.79433       
15.10685  26.13177       22.16474  67.83397 11.35273 47.54581 17.46858 
20.28815       20.83353 
1 1 1 0   48 8  o 49.79289 14.54395 30.02436       15.64805  43.93311       
21.13537  13.15126       23.27896  58.78724 16.82584 40.83872 16.98087 
17.94852       23.90520 
1 1 1 0   48 9  o 29.74656 13.20786 -0.9222290     15.96421  -0.9222290     
15.96421  0.000000       0.000000  29.74656 13.20786 ?        ?        
0.000000       13.20786 
1 1 1 0   48 10 o 22.67086 10.78213 -13.22137      13.57674  -7.740293      
16.21901  -26.05432      24.81729  27.01036 12.49890 28.83368 13.93597 
-1.823324      18.71988 
1 1 1 0   48 11 o 89.36720 9.444549 90.05198       16.90365  83.94785       
20.51514  102.9585       29.83095  83.37762 12.48369 86.14660 17.62263 
-2.768974      21.59628 
1 1 1 0   48 12 f 56.30959 12.31611 39.91195       13.71029  30.63858       
15.48160  73.62305       29.51778  47.16811 14.62396 65.76266 20.16061 
-18.59454      24.90602 
1 1 1 0   48 13 f 59.57637 14.92541 50.97160       18.04449  81.24866       
22.87145  1.055942       29.36671  75.19502 15.47335 34.06403 16.09913 
41.13100       22.32950 
1 1 1 0   49 1  o 87.37881 6.244069 79.88667       11.02186  77.81687       
15.41909  82.04929       15.76106  84.93064 9.067951 87.26007 9.011949 
-2.329430      12.78448 
1 1 1 0   49 2  o 40.93338 12.13661 19.05810       10.82617  20.00974       
13.00583  16.91090       19.53608  41.94611 13.45730 41.70412 16.15421 
0.2419968      21.02516 
1 1 1 0   49 3  o 95.43589 6.437707 95.44996       12.42078  98.12215       
15.35981  90.40081       21.11356  96.03724 7.936031 89.79139 11.85284 
6.245850       14.26431 
1 1 1 0   49 4  o 45.54307 12.08883 23.92277       11.38239  27.23722       
13.88766  17.13982       19.86700  48.10232 13.59472 41.81421 16.26428 
6.288113       21.19772 
1 1 1 0   49 5  o 108.9952 6.150010 124.2692       13.57555  117.9136       
16.57363  137.2277       23.66550  105.2743 7.797274 111.6285 10.55039 
-6.354187      13.11901 
1 1 1 0   49 6  o 65.59537 10.23641 47.89972       13.20849  43.17760       
16.77854  55.59520       21.41922  60.07021 13.99523 66.96497 15.95603 
-6.894760      21.22408 
1 1 1 0   49 7  o 92.05441 7.475293 90.43645       13.87257  79.97473       
16.59082  114.7501       25.29244  85.14161 9.758610 99.55191 12.78943 
-14.41030      16.08726 
1 1 1 0   49 8  o 43.81361 15.09639 23.30388       16.30397  22.40858       
21.15764  24.61276       25.58186  43.89108 16.86310 45.86541 18.26654 
-1.974323      24.86022 
1 1 1 0   49 9  o 23.63552 11.11693 -10.46315      13.70054  -8.762160      
15.99897  -15.14047      26.53012  26.37704 12.27701 32.13799 15.22260 
-5.760954      19.55639 
1 1 1 0   49 10 o 52.78801 13.35662 35.29676       14.34924  30.52399       
16.80062  48.16625       27.58803  47.68498 15.29472 55.16773 19.59083 
-7.482750      24.85415 
1 1 1 0   49 11 o 85.63741 9.636936 84.84641       16.49080  77.26991       
19.66050  102.8273       30.28767  78.32552 12.78466 82.13647 18.56934 
-3.810959      22.54480 
1 1 1 0   49 12 o 38.67300 13.57419 20.54702       13.21111  21.01065       
14.71571  18.62125       29.99160  38.76434 14.23496 38.61644 17.54042 
0.1478958      22.58983 
1 1 1 0   49 13 o 44.72062 14.56995 30.86101       15.20710  42.45188       
17.71050  -1.666474      29.66867  51.50380 15.58065 32.19962 15.48085 
19.30418       21.96391 
1 1 1 0   50 0  o 38.63292 14.20960 13.76523       14.67174  1.694940       
19.64881  28.97606       22.05738  35.41075 15.20020 51.55738 17.56498 
-16.14664      23.22874 
1 1 1 0   50 1  o 124.2201 5.013141 159.6741       12.66349  159.8024       
17.86785  159.5446       17.95019  122.9660 7.176728 122.8401 7.217547 
0.1259308      10.17833 
1 1 1 0   50 2  o 99.09900 6.469720 103.2319       12.96631  97.68586       
15.51040  116.1024       23.62810  95.53458 8.059062 101.5814 11.64892 
-6.046844      14.16495 
1 1 1 0   50 3  o 69.82751 8.627966 52.91720       11.99082  49.29271       
14.90059  59.57717       20.19836  65.78215 11.56088 70.37885 14.59204 
-4.596695      18.61670 
1 1 1 0   50 4  o 39.36551 12.50976 17.78789       11.25926  21.13858       
14.09017  11.86874       18.72747  42.50238 14.03333 37.93298 15.44351 
4.569405       20.86711 
1 1 1 0   50 5  o 25.06949 11.10879 -1.573437      11.23809  -9.318108      
13.94555  12.77176       18.97962  24.60303 11.45492 38.34023 15.57113 
-13.73720      19.33068 
1 1 1 0   50 6  o 78.09941 9.021292 67.01690       14.06381  84.12538       
18.15241  41.32665       22.24400  86.48291 10.53974 55.60874 17.57392 
30.87417       20.49217 
1 1 1 0   50 7  o 73.21461 9.257339 59.57499       13.47474  57.29151       
16.17538  64.75278       24.35724  70.03181 11.77607 69.47821 17.30468 
0.5535965      20.93150 
1 1 1 0   50 8  o 27.74139 13.16846 -14.75924      20.06415  -14.75924      
20.06415  0.000000       0.000000  27.74139 13.16846 ?        ?        
0.000000       13.16846 
1 1 1 0   50 9  o 89.04038 8.075775 87.50706       14.46345  78.36133       
16.74972  114.3171       28.67789  82.34320 10.22289 92.69622 15.77897 
-10.35302      18.80115 
1 1 1 0   50 10 o 19.49871 9.605444 -22.82181      13.52336  -32.66307      
15.68817  5.638883       26.67901  19.60758 9.776150 35.57351 16.30430 
-15.96593      19.01061 
1 1 1 0   50 11 o 22.84641 10.77195 -7.685463      13.00660  -13.61007      
14.68058  13.93963       28.04738  22.50374 10.83698 36.83508 16.82031 
-14.33134      20.00907 
1 1 1 0   50 12 o 37.00851 13.38864 19.76431       12.94820  19.20550       
14.48377  21.98843       28.89534  36.31868 13.95261 37.46783 17.09504 
-1.149151      22.06617 
1 1 1 0   51 1  o 63.54915 8.654904 44.21399       10.89376  35.67212       
15.12402  53.42425       15.70459  54.22686 13.70798 68.05956 11.77323 
-13.83270      18.06980 
1 1 1 0   51 2  o 66.26637 9.424327 48.66951       12.34190  45.82135       
14.81458  55.13035       22.31266  62.69397 12.05802 65.23929 16.73667 
-2.545319      20.62794 
1 1 1 0   51 3  o 36.21951 12.67553 14.54352       11.51572  15.54071       
14.18680  12.61735       19.71715  37.82594 13.96297 38.31249 15.75025 
-0.4865456     21.04840 
1 1 1 0   51 4  o 64.48000 9.780650 46.64508       12.42214  46.67327       
15.31147  46.59081       21.24767  62.78258 12.43277 59.28859 16.83634 
3.493988       20.92931 
1 1 1 0   51 5  o 93.52219 7.045227 93.59747       13.30024  89.54630       
16.38619  101.4201       22.77007  90.01803 9.075356 92.85687 12.36611 
-2.838844      15.33893 
1 1 1 0   51 6  o 124.1652 6.408199 163.8038       16.12517  177.2066       
20.36231  141.2621       26.40722  127.7753 7.874988 109.5396 12.05445 
18.23574       14.39879 
1 1 1 0   51 7  o 43.91936 13.38477 24.43159       13.03499  18.82781       
15.60645  37.35947       23.70430  39.36644 14.62237 50.41434 18.13215 
-11.04790      23.29354 
1 1 1 0   51 8  o 53.72749 14.65775 38.91496       16.45923  38.91496       
16.45923  0.000000       0.000000  53.72749 14.65775 ?        ?        
0.000000       14.65775 
1 1 1 0   51 9  o 27.94998 12.24725 3.139188       13.30615  4.454739       
15.62444  -0.3336794     25.38603  30.02349 13.21068 33.11779 15.43125 
-3.094296      20.31368 
1 1 1 0   51 10 o 54.44211 15.86317 45.81538       18.63577  45.81538       
18.63577  0.000000       0.000000  54.44211 15.86317 ?        ?        
0.000000       15.86317 
1 1 1 0   51 11 o 74.61427 11.04148 71.31268       16.24745  71.31268       
16.24745  0.000000       0.000000  74.61427 11.04148 ?        ?        
0.000000       11.04148 
1 1 1 0   52 0  o 52.78708 14.24107 32.19739       15.63944  36.95135       
22.32911  27.61947       21.91180  55.70712 17.60778 49.67850 17.47894 
6.028614       24.81023 
1 1 1 0   52 1  o 108.2172 5.676488 123.1246       12.44829  126.7898       
17.78116  119.6014       17.43308  107.9635 8.159241 104.7687 8.249333 
3.194885       11.60279 
1 1 1 0   52 2  o 90.79873 7.022693 88.39138       12.86604  90.78965       
15.47718  83.02716       23.14711  90.99152 8.461436 81.68714 14.46387 
9.304375       16.75707 
1 1 1 0   52 3  o 51.30997 11.70809 31.47430       11.94657  45.44843       
14.69842  4.274207       20.50660  61.61069 12.16348 34.23989 15.09733 
27.37080       19.38762 
1 1 1 0   52 4  o 48.56774 12.18133 28.78662       12.00963  33.68594       
14.94835  19.86693       20.16973  51.37118 13.94966 41.05768 16.26123 
10.31350       21.42476 
1 1 1 0   52 5  o 37.07340 13.43094 16.30322       13.03678  24.20446       
16.56206  3.433559       21.13734  43.05323 15.19094 33.73735 15.07438 
9.315880       21.40097 
1 1 1 0   52 6  o 21.75533 10.28190 -9.634490      11.97853  -6.678720      
14.68444  -15.51285      20.70857  25.39312 11.79997 27.45546 13.12907 
-2.062340      17.65253 
1 1 1 0   52 7  o 42.88881 15.22514 25.68767       16.66101  24.19378       
21.68808  27.83873       26.02482  41.64040 16.73804 43.35282 17.98435 
-1.712421      24.56825 
1 1 1 0   52 8  o 21.01492 10.31736 -22.01842      15.17816  -22.01842      
15.17816  0.000000       0.000000  21.01492 10.31736 ?        ?        
0.000000       10.31736 
1 1 1 0   52 9  o 76.82221 9.220702 70.04571       14.11684  62.57135       
16.57985  89.74682       26.91777  69.03532 12.25928 73.03972 18.19141 
-4.004402      21.93667 
1 1 1 0   52 10 o 74.50552 10.81450 71.10155       15.90630  60.73790       
19.10548  94.51131       28.71443  62.48331 15.18513 69.59489 19.50589 
-7.111588      24.71979 
1 1 1 0   52 11 o 33.02942 13.09310 16.19346       13.08676  9.647854       
14.80079  39.64571       28.01576  29.52851 12.92842 40.22482 17.69483 
-10.69631      21.91463 
1 1 1 0   53 1  o 26.78263 11.27658 3.846118       10.46128  -7.234228      
14.46859  15.98417       15.14343  25.15379 11.69679 37.19220 14.27187 
-12.03841      18.45267 
1 1 1 0   53 2  o 89.90105 7.226789 87.84930       13.10015  95.13418       
15.76050  71.56644       23.56266  92.48151 8.474629 72.07074 16.44099 
20.41077       18.49664 
1 1 1 0   53 3  o 49.44545 12.13148 30.41325       12.10636  28.89223       
14.44914  33.99649       22.17751  46.76326 14.05670 47.90766 17.49294 
-1.144402      22.44089 
1 1 1 0   53 4  f 31.85331 13.37496 8.244370       14.65184  8.244370       
14.65184  0.000000       0.000000  31.85331 13.37496 ?        ?        
0.000000       13.37496 
1 1 1 0   53 5  o 35.55122 14.58790 14.03323       16.87514  14.03323       
16.87514  0.000000       0.000000  35.55122 14.58790 ?        ?        
0.000000       14.58790 
1 1 1 0   53 6  o 24.20253 11.07916 -2.914452      12.26752  -1.398321      
15.04945  -5.916883      21.17818  27.02007 12.33166 29.35976 13.81320 
-2.339693      18.51687 
1 1 1 0   53 7  o 31.69916 13.56695 9.644442       15.57065  -14.19979      
20.78307  40.15209       23.50836  26.55789 12.81575 47.20702 17.86078 
-20.64913      21.98297 
1 1 1 0   53 8  o 22.24047 10.70667 -11.83861      14.30166  -11.83861      
14.30166  0.000000       0.000000  22.24047 10.70667 ?        ?        
0.000000       10.70667 
1 1 1 0   53 9  f 40.97963 13.29787 25.54948       12.67233  27.19357       
14.52637  20.31384       25.92264  41.02150 14.24309 35.42160 16.17323 
5.599899       21.55085 
1 1 1 0   53 10 o 31.61202 13.27350 14.51163       14.43011  17.15960       
17.61817  9.115011       25.15156  32.95818 14.27112 31.10366 14.75845 
1.854525       20.52990 
1 1 1 0   54 0  o 61.77356 17.70470 49.47353       23.38634  49.47353       
23.38634  0.000000       0.000000  61.77356 17.70470 ?        ?        
0.000000       17.70470 
1 1 1 0   54 1  o 32.96022 13.16477 11.72605       13.32327  11.72605       
13.32327  0.000000       0.000000  32.96022 13.16477 ?        ?        
0.000000       13.16477 
1 1 1 0   54 2  f 38.12164 12.87394 18.89164       11.84798  20.96388       
14.01072  13.69027       22.19725  39.49472 13.96803 36.54205 15.92013 
2.952667       21.17915 
1 1 1 0   54 3  o 42.68238 12.50369 23.97344       11.55061  29.93357       
14.01772  11.36752       20.38623  46.59298 13.80914 34.82429 15.21192 
11.76868       20.54494 
1 1 1 0   54 4  o 58.47488 11.29145 42.81900       12.94056  25.69895       
15.66013  79.67727       22.97790  41.99993 14.77666 74.14628 15.72689 
-32.14635      21.57973 
1 1 1 0   54 5  o 50.50945 13.00578 34.93741       13.43889  41.30005       
17.43857  25.63282       21.08827  51.96704 15.40229 40.20048 16.37977 
11.76656       22.48394 
1 1 1 0   54 6  o 40.80742 13.15422 23.96740       12.41542  15.75186       
15.33523  39.59639       21.15133  34.24318 13.96196 46.68489 17.07781 
-12.44170      22.05874 
1 1 1 0   54 7  o 17.58613 8.874830 -37.25138      14.99645  -27.61287      
20.22257  -49.02823      22.35354  22.78721 11.31819 21.18866 10.70968 
1.598558       15.58200 
1 1 1 0   54 8  o 32.89565 14.38770 16.06396       18.28841  16.06396       
18.28841  0.000000       0.000000  32.89565 14.38770 ?        ?        
0.000000       14.38770 
1 1 1 0   54 9  o 21.25403 10.20215 -7.682153      12.77001  -18.51148      
15.02016  20.55890       24.25572  20.25576 10.00568 33.33931 15.37739 
-13.08355      18.34606 
1 1 1 0   55 1  o 25.39427 10.75215 4.380395       9.597014  -2.468300      
13.20234  12.05423       13.97505  24.72597 11.38294 32.29781 13.26673 
-7.571836      17.48077 
1 1 1 0   55 2  o 89.50749 7.014165 89.43400       12.66477  85.53561       
15.06586  98.82503       23.38339  85.40928 8.800389 83.77045 14.23611 
1.638824       16.73660 
1 1 1 0   55 3  o 55.58220 11.05630 39.61754       12.05697  38.38382       
14.57558  42.29128       21.45738  51.59189 13.67287 48.17796 17.25945 
3.413929       22.01900 
1 1 1 0   55 4  f 42.13212 14.15664 27.48131       14.32583  0.6746143      
18.73038  65.26699       22.23764  28.54505 13.28531 61.53192 17.13729 
-32.98686      21.68378 
1 1 1 0   55 5  o 59.53315 13.97574 52.99445       16.62968  48.85942       
24.37329  56.59598       22.74670  47.52273 18.13688 53.64657 17.83608 
-6.123844      25.43762 
1 1 1 0   55 6  o 36.17810 13.10623 20.32933       12.41390  21.07953       
15.18674  18.81874       21.55019  35.74720 14.12538 34.03657 15.21355 
1.710625       20.76003 
1 1 1 0   55 7  o 22.81236 11.31526 -21.36029      19.94533  -21.36029      
19.94533  0.000000       0.000000  22.81236 11.31526 ?        ?        
0.000000       11.31526 
1 1 1 0   55 8  o 35.11211 13.13764 21.11315       12.64328  24.49985       
15.20765  13.53307       22.75157  36.02148 14.16641 30.49877 14.33889 
5.522709       20.15667 
1 1 1 0   56 0  o 29.64597 13.67776 -5.088468      19.21033  0.000000       
0.000000  -5.088468      19.21033  ?        ?        29.64597 13.67776 
0.000000       13.67776 
1 1 1 0   56 1  o 32.22942 14.51254 12.63643       20.00986  0.000000       
0.000000  12.63643       20.00986  ?        ?        32.22942 14.51254 
0.000000       14.51254 
1 1 1 0   56 2  o 24.01061 11.13313 -1.491119      12.96333  16.14051       
17.83664  -21.23129      18.87306  33.18817 14.36502 22.76330 11.23897 
10.42487       18.23920 
1 1 1 0   56 3  o 26.28697 11.49307 5.621871       11.66047  3.435417       
14.49993  9.624005       19.61741  26.63771 12.13669 30.56993 13.99998 
-3.932226      18.52832 
1 1 1 0   56 4  o 17.55824 8.686535 -17.96801      11.47455  -34.48538      
14.37499  11.03851       19.04956  17.14866 8.658199 30.49303 13.90014 
-13.34437      16.37615 
1 1 1 0   56 5  o 29.04971 12.50179 11.06655       13.35419  27.42781       
17.41053  -12.31453      20.81306  37.30418 14.99621 24.64780 12.09704 
12.65638       19.26719 
1 1 1 0   56 6  o 19.85495 9.602518 -8.912224      11.83056  -14.58201      
14.66956  1.635650       20.00857  20.51625 10.08680 26.84737 12.85605 
-6.331116      16.34079 
1 1 1 0   56 7  o 17.40115 8.797396 -33.27350      15.13730  -33.27350      
15.13730  0.000000       0.000000  17.40115 8.797396 ?        ?        
0.000000       8.797396 
1 1 1 0   57 1  o 36.99576 12.48596 21.91448       11.14454  23.09712       
13.96129  19.83739       18.50235  35.99771 13.72954 32.85706 14.41858 
3.140659       19.90969 
1 1 1 0   57 2  o 45.57021 12.04573 31.39097       11.33185  36.16844       
14.28471  23.28068       18.61191  45.56318 14.03427 34.08150 14.71284 
11.48167       20.33294 
1 1 1 0   57 3  o 60.72978 9.926793 49.24802       11.83556  39.00068       
14.54912  69.29726       20.35072  47.07289 14.09521 59.75219 16.29756 
-12.67930      21.54728 
1 1 1 0   57 4  o 27.40662 12.01407 9.905911       12.81589  9.802647       
16.68510  10.05450       20.01465  27.96354 12.84492 28.48857 13.41093 
-0.5250282     18.57000 
1 1 1 0   57 5  o 30.43773 12.26025 15.66795       11.66237  1.395044       
14.16399  45.71487       20.55084  23.97371 11.28442 41.73052 16.45010 
-17.75681      19.94854 
1 1 1 0   58 0  o 36.47265 13.81610 18.31609       14.07744  62.19733       
25.54702  -0.8183166     16.86974  58.17345 18.88114 27.87346 12.84500 
30.29998       22.83618 
1 1 1 0   58 1  o 31.44159 11.95938 16.93619       10.57533  23.52720       
13.36222  5.886749       17.30105  34.49733 13.36073 25.99463 12.30699 
8.502701       18.16511 
1 1 1 0   58 2  o 18.04614 8.796144 -9.303259      10.45502  -17.36954      
13.26002  3.951352       16.99773  18.32299 9.111569 25.23943 12.02074 
-6.916435      15.08373 
1 1 1 0   58 3  o 20.20125 9.654526 -3.751907      11.16434  -13.83374      
14.03650  13.60935       18.41958  19.45031 9.619897 27.99318 13.07723 
-8.542875      16.23442 
1 1 1 1   0  0  o ?        ?        -1.250451      0.2543584 -1.250451      
0.2543584 -1.250451      0.2543584 ?        ?        ?        ?        
0.000000       0.000000 
1 1 1 1   0  1  o 625.9612 7.797823 3987.145       99.22484  3987.145       
99.22484  3987.145       99.22484  625.9612 7.797823 625.9612 7.797823 
0.000000       0.000000 
1 1 1 1   0  2  o 165.1841 3.921198 277.9267       13.15483  277.9267       
13.15483  277.9267       13.15483  165.1841 3.921198 165.1841 3.921198 
0.000000       0.000000 
1 1 1 1   0  3  o 714.6447 8.797642 5197.915       127.8084  5197.915       
127.8084  5197.915       127.8084  714.6447 8.797642 714.6447 8.797642 
0.000000       0.000000 
1 1 1 1   0  4  o 75.53446 5.263371 58.86629       7.994482  58.86629       
7.994482  58.86629       7.994482  75.53446 5.263371 75.53446 5.263371 
0.000000       0.000000 
1 1 1 1   0  5  o 518.4174 9.789639 2739.231       103.1212  2739.231       
103.1212  2739.231       103.1212  518.4174 9.789639 518.4174 9.789639 
0.000000       0.000000 
1 1 1 1   0  6  o 480.9085 6.635625 2354.788       64.86485  2354.788       
64.86485  2354.788       64.86485  480.9085 6.635625 480.9085 6.635625 
0.000000       0.000000 
1 1 1 1   0  7  o 249.2067 5.187664 632.5669       26.26383  632.5669       
26.26383  632.5669       26.26383  249.2067 5.187664 249.2067 5.187664 
0.000000       0.000000 
1 1 1 1   0  8  o 232.4986 5.286979 550.6824       24.96733  550.6824       
24.96733  550.6824       24.96733  232.4986 5.286979 232.4986 5.286979 
0.000000       0.000000 
1 1 1 1   0  9  o 68.98460 11.55779 52.33773       14.84565  52.33773       
14.84565  52.33773       14.84565  68.98460 11.55779 68.98460 11.55779 
0.000000       0.000000 
1 1 1 1   0  10 o 221.6948 6.099130 501.0433       27.44927  501.0433       
27.44927  501.0433       27.44927  221.6948 6.099130 221.6948 6.099130 
0.000000       0.000000 
1 1 1 1   0  11 o 354.9299 6.399164 1282.718       46.15288  1282.718       
46.15288  1282.718       46.15288  354.9299 6.399164 354.9299 6.399164 
0.000000       0.000000 
1 1 1 1   0  12 o 175.2581 7.331887 314.1990       26.02638  314.1990       
26.02638  314.1990       26.02638  175.2581 7.331887 175.2581 7.331887 
0.000000       0.000000 
1 1 1 1   0  13 o 239.0712 9.380832 584.9618       45.44631  584.9618       
45.44631  584.9618       45.44631  239.0712 9.380832 239.0712 9.380832 
0.000000       0.000000 
1 1 1 1   0  14 o 107.7748 10.26631 121.6914       22.03103  121.6914       
22.03103  121.6914       22.03103  107.7748 10.26631 107.7748 10.26631 
0.000000       0.000000 
1 1 1 1   0  15 o 142.8996 8.432239 210.4895       24.30803  210.4895       
24.30803  210.4895       24.30803  142.8996 8.432239 142.8996 8.432239 
0.000000       0.000000 
1 1 1 1   0  16 o 250.3444 6.604397 640.3420       33.56902  640.3420       
33.56902  640.3420       33.56902  250.3444 6.604397 250.3444 6.604397 
0.000000       0.000000 
1 1 1 1   0  17 o 264.2332 10.02876 718.7161       53.71103  718.7161       
53.71103  718.7161       53.71103  264.2332 10.02876 264.2332 10.02876 
0.000000       0.000000 
1 1 1 1   0  18 o 120.5085 10.39736 152.5147       25.04323  152.5147       
25.04323  152.5147       25.04323  120.5085 10.39736 120.5085 10.39736 
0.000000       0.000000 
1 1 1 1   0  19 o 94.66666 14.45484 99.36024       25.90083  99.36024       
25.90083  99.36024       25.90083  94.66666 14.45484 94.66666 14.45484 
0.000000       0.000000 
1 1 1 1   0  20 o 58.15567 24.01570 51.22960       28.17674  51.22960       
28.17674  51.22960       28.17674  58.15567 24.01570 58.15567 24.01570 
0.000000       0.000000 
1 1 1 1   0  21 o 22.80843 15.83730 -19.40045      25.75471  -19.40045      
25.75471  -19.40045      25.75471  22.80843 15.83730 22.80843 15.83730 
0.000000       0.000000 
1 1 1 1   0  22 o 105.9209 14.07948 126.6880       28.82866  126.6880       
28.82866  126.6880       28.82866  105.9209 14.07948 105.9209 14.07948 
0.000000       0.000000 
1 1 1 1   0  23 o 32.55969 20.15748 16.50082       26.47585  16.50082       
26.47585  16.50082       26.47585  32.55969 20.15748 32.55969 20.15748 
0.000000       0.000000 
1 1 1 1   1  0  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 1   1  1  o 281.8354 3.204072 807.7202       18.36323  800.1953       
25.83263  815.4067       26.10863  280.5039 4.528750 283.1573 4.534243 
-2.653473      6.408505 
1 1 1 1   1  2  o 231.1727 3.012033 543.4263       14.15949  541.8511       
20.02838  545.0002       20.02071  230.8251 4.266890 231.4951 4.252912 
-0.6699371     6.024417 
1 1 1 1   1  3  f 303.7078 3.447510 937.9999       21.29182  927.3752       
29.93988  948.8713       30.28547  301.9586 4.875860 305.4382 4.875953 
-3.479584      6.895573 
1 1 1 1   1  4  o 272.8580 3.378749 757.1516       18.74753  776.6683       
26.88741  738.6853       26.15384  276.3242 4.784964 269.4829 4.772574 
6.841217       6.758205 
1 1 1 1   1  5  o 286.2661 4.972518 833.7752       28.94662  881.6328       
42.14225  791.0273       39.82901  294.2692 7.042413 278.7391 7.026680 
15.53006       9.948358 
1 1 1 1   1  6  o 501.9003 4.825483 2563.345       49.25039  2640.770       
71.23256  2492.435       68.16951  509.2117 6.879055 494.7156 6.776151 
14.49603       9.655963 
1 1 1 1   1  7  o 202.3166 4.164012 416.4077       17.13148  434.6053       
29.82997  407.4517       20.92671  206.5838 7.100765 200.1007 5.142814 
6.483093       8.767520 
1 1 1 1   1  8  o 571.2394 5.378314 3320.156       62.47637  3375.020       
89.49673  3268.006       87.25575  575.7365 7.644198 566.5426 7.573734 
9.193909       10.76082 
1 1 1 1   1  9  o 721.4481 6.497602 5296.231       95.32560  5400.405       
137.1631  5198.910       132.5755  728.2187 9.262410 714.5208 9.124243 
13.69788       13.00169 
1 1 1 1   1  10 f 373.1043 4.473972 1415.863       33.94493  1446.931       
48.58406  1386.232       47.44691  377.1149 6.335323 369.1206 6.321036 
7.994293       8.949403 
1 1 1 1   1  11 o 91.44626 7.417422 85.66854       13.67451  72.88001       
19.31315  98.52493       19.36432  83.76391 11.65394 97.85973 9.865349 
-14.09583      15.26891 
1 1 1 1   1  12 o 90.84012 8.261334 84.72601       15.09406  96.33342       
21.31246  73.04475       21.38015  96.57651 11.05096 83.61942 12.99531 
12.95709       17.05877 
1 1 1 1   1  13 o 270.5145 6.477457 745.0481       35.63251  728.3271       
50.80991  761.2299       49.98420  267.2680 9.348675 273.2666 8.994867 
-5.998596      12.97326 
1 1 1 1   1  14 o 166.6286 5.384150 282.6780       18.24391  248.4892       
25.56132  318.1787       26.04712  155.8904 8.091112 176.6880 7.249387 
-20.79755      10.86369 
1 1 1 1   1  15 o 39.41031 13.94811 13.90856       13.97317  19.67136       
19.76126  8.146015       19.76084  46.75855 16.58315 39.97399 16.00919 
6.784561       23.04984 
1 1 1 1   1  16 o 372.4666 4.814698 1413.062       36.46764  1372.099       
50.68969  1457.010       52.50423  366.7078 6.797482 377.8773 6.832695 
-11.16949      9.638022 
1 1 1 1   1  17 o 104.6038 11.75213 113.9920       24.56594  94.11301       
34.40158  134.6764       35.09168  93.19120 18.80164 112.8348 15.72066 
-19.64364      24.50797 
1 1 1 1   1  18 o 173.3244 5.711994 306.5064       20.13255  284.4704       
27.71515  331.1243       29.29383  166.6766 8.176948 179.8513 8.009607 
-13.17465      11.44623 
1 1 1 1   1  19 o 56.77157 14.80763 34.86787       17.27326  31.34179       
23.49413  39.01624       25.48305  55.27541 18.11476 60.57734 18.75899 
-5.301937      26.07766 
1 1 1 1   1  20 o 152.6443 7.057363 238.5113       21.90658  227.0013       
30.75773  250.3611       31.20834  148.0182 10.28231 155.5800 9.915939 
-7.561768      14.28467 
1 1 1 1   1  21 o 88.98541 11.81427 83.78288       20.85000  49.62559       
29.70700  116.9439       29.27055  66.94465 20.16271 104.6102 14.12039 
-37.66560      24.61545 
1 1 1 1   1  22 f 106.6094 9.350361 118.8791       20.06625  120.9181       
27.77272  116.6520       29.02458  106.1222 13.15121 103.7981 14.11692 
2.324074       19.29357 
1 1 1 1   1  23 o 54.98566 19.01555 33.52685       25.87962  0.000000       
0.000000  33.52685       25.87962  ?        ?        54.98566 19.01555 
0.000000       19.01555 
1 1 1 1   2  0  f 424.6112 5.744930 1833.825       49.60525  1833.825       
49.60525  0.000000       0.000000  424.6112 5.744930 ?        ?        
0.000000       5.744930 
1 1 1 1   2  1  o 395.0644 3.895257 1587.193       31.29359  1573.987       
43.99640  1600.715       44.51989  393.3848 5.499815 396.7104 5.518602 
-3.325623      7.791209 
1 1 1 1   2  2  o 215.9418 2.943821 474.1758       12.92705  484.2146       
18.42973  464.4532       18.13701  218.2046 4.153398 213.7054 4.173485 
4.499191       5.888012 
1 1 1 1   2  3  o 933.4332 7.874893 8866.604       149.4787  8868.354       
211.4444  8864.854       211.3453  933.1277 11.14304 932.9441 11.14001 
0.1836548      15.75649 
1 1 1 1   2  4  o 277.3912 3.403724 782.5268       19.19988  722.1672       
26.08192  853.9274       28.36726  266.4501 4.813625 289.7393 4.814582 
-23.28925      6.808171 
1 1 1 1   2  5  o 272.2591 4.008684 754.0112       22.19401  752.0119       
38.10069  755.0379       27.30481  271.7807 6.893865 272.4137 4.928999 
-0.6329956     8.474692 
1 1 1 1   2  6  o 175.2827 4.848484 312.6476       17.28209  312.6476       
17.28209  0.000000       0.000000  175.2827 4.848484 ?        ?        
0.000000       4.848484 
1 1 1 1   2  7  f 188.4703 4.170974 361.3605       15.98571  370.3309       
27.87854  356.9662       19.51210  190.6944 7.189203 187.2953 5.123015 
3.399078       8.827793 
1 1 1 1   2  8  o 247.2759 3.746820 621.9141       18.84066  604.4819       
26.31121  640.2591       26.99124  243.7447 5.308283 250.8548 5.291136 
-7.110077      7.494931 
1 1 1 1   2  9  o 453.9618 4.749265 2096.230       43.84268  2084.169       
61.79793  2108.452       62.20996  452.5609 6.714992 455.1893 6.720729 
-2.628418      9.500490 
1 1 1 1   2  10 o 331.7487 4.292755 1119.356       28.95988  1149.951       
41.47021  1090.235       40.45940  336.2023 6.065745 327.3562 6.077814 
8.846130       8.586797 
1 1 1 1   2  11 o 875.4144 7.674812 7800.167       136.6258  7635.267       
189.4076  7979.039       197.2682  865.6740 10.75949 884.9129 10.96239 
-19.23895      15.36036 
1 1 1 1   2  12 o 45.80199 13.95838 21.48088       14.17622  28.70153       
20.04667  14.25802       20.04973  53.23322 16.66344 43.81293 16.51434 
9.420288       23.46047 
1 1 1 1   2  13 o 123.1587 9.270741 155.5205       23.04802  159.1847       
33.63651  152.2774       31.64429  124.0317 13.55678 121.3618 13.02591 
2.669945       18.80055 
1 1 1 1   2  14 o 154.7339 5.657651 243.7971       17.80218  257.5958       
26.01981  231.6535       24.40945  158.7270 8.088055 150.5097 8.003979 
8.217270       11.37894 
1 1 1 1   2  15 o 380.7613 4.783097 1476.165       37.03509  1503.620       
53.03460  1450.033       51.74043  384.0132 6.791438 377.1152 6.746905 
6.897980       9.573106 
1 1 1 1   2  16 o 340.4663 4.712494 1180.609       32.62695  1153.472       
45.41084  1209.567       46.90854  336.2498 6.641192 344.3187 6.699462 
-8.068848      9.433357 
1 1 1 1   2  17 o 43.57410 15.95976 16.08953       18.48076  -14.79138      
32.18734  31.27631       22.57215  40.81176 18.38891 55.22788 17.72972 
-14.41612      25.54398 
1 1 1 1   2  18 o 113.7647 7.805293 133.0579       17.94790  124.2560       
24.69257  142.9166       26.13295  109.2535 11.27639 117.2913 11.08799 
-8.037758      15.81457 
1 1 1 1   2  19 o 186.9390 5.981235 356.8643       22.73747  410.2820       
33.18946  309.6199       31.21277  200.0707 8.157655 173.4544 8.878789 
26.61627       12.05737 
1 1 1 1   2  20 o 82.84495 12.09056 72.56854       19.76869  92.95531       
27.53293  50.87508       28.40160  93.11500 15.05428 68.07351 19.51116 
25.04149       24.64380 
1 1 1 1   2  21 o 100.8984 10.01545 106.2961       20.27820  113.7617       
27.75917  97.75372       29.69390  103.3475 13.53376 94.84225 15.96319 
8.505280       20.92812 
1 1 1 1   2  22 o 69.97479 14.11843 53.87304       19.39712  42.44286       
27.68838  64.88894       27.18198  61.64685 19.62033 75.56285 17.95492 
-13.91600      26.59580 
1 1 1 1   2  23 o 80.08047 11.69354 69.63001       18.48110  86.64454       
26.04361  52.37131       26.22982  87.78355 15.13602 66.53049 18.64145 
21.25305       24.01255 
1 1 1 1   3  0  o 951.3575 9.218759 9211.059       178.3477  9677.272       
323.2949  9007.112       213.8279  974.1787 16.31957 940.5622 11.17958 
33.61652       19.78160 
1 1 1 1   3  1  o 317.6131 3.413161 1025.828       22.04482  1043.016       
31.48570  1009.301       30.87543  320.2418 4.834861 315.0237 4.819682 
5.218048       6.826801 
1 1 1 1   3  2  o 520.9617 4.787731 2760.280       50.72089  2840.561       
73.39755  2686.900       70.17150  528.4076 6.830636 513.9216 6.714481 
14.48596       9.578196 
1 1 1 1   3  3  o 427.4089 4.202153 1857.878       36.52303  1943.035       
53.33825  1782.703       50.11504  437.0376 6.001621 418.6222 5.887006 
18.41544       8.406919 
1 1 1 1   3  4  o 310.9548 3.566021 983.3820       22.54927  1017.910       
32.47278  951.2277       31.33653  316.3279 5.048131 305.7914 5.039347 
10.53647       7.132926 
1 1 1 1   3  5  o 157.1510 3.783565 251.2071       12.09121  226.4892       
20.35294  264.6888       15.03119  149.1544 6.710266 161.2976 4.582622 
-12.14319      8.125767 
1 1 1 1   3  6  o 196.7210 3.425602 393.6423       13.70374  394.1119       
19.30212  393.1650       19.45887  196.7985 4.823161 196.5605 4.868218 
0.2380524      6.852914 
1 1 1 1   3  7  o 305.7950 4.439321 951.3568       27.60567  879.0322       
45.76721  992.7181       34.61057  293.7672 7.661253 312.3242 5.449438 
-18.55704      9.401658 
1 1 1 1   3  8  o 484.2812 4.817662 2385.909       47.44444  2366.212       
66.56325  2406.250       67.64293  482.1483 6.788947 486.2063 6.841486 
-4.057953      9.638244 
1 1 1 1   3  9  o 1123.576 9.477264 12856.79       216.5394  12993.37       
309.4494  12725.74       303.1149  1128.590 13.48348 1116.944 13.34518 
11.64600       18.97098 
1 1 1 1   3  10 o 410.4387 4.588921 1713.426       38.30102  1672.644       
53.35304  1756.791       55.01690  405.4570 6.470875 415.5289 6.510937 
-10.07190      9.179571 
1 1 1 1   3  11 o 478.1236 5.042370 2325.416       49.02599  2304.247       
68.85655  2347.182       69.81992  475.8343 7.116035 480.2450 7.149325 
-4.410675      10.08716 
1 1 1 1   3  12 o 253.2749 4.575795 652.5590       23.56732  659.6950       
33.45944  645.5328       33.20051  254.5936 6.462785 251.8452 6.482755 
2.748352       9.153891 
1 1 1 1   3  13 o 270.5689 5.479193 745.0813       30.14713  733.2642       
51.11150  751.3858       37.33266  268.1614 9.372834 271.6418 6.758355 
-3.480347      11.55532 
1 1 1 1   3  14 o 193.1199 5.004051 379.6468       19.65170  368.1393       
27.81405  391.1173       27.76942  190.0529 7.196782 195.9088 6.970460 
-5.855957      10.01903 
1 1 1 1   3  15 o 126.9075 6.192925 164.1437       15.98212  170.0990       
22.85371  158.4436       22.35868  128.7404 8.781942 124.2127 8.910960 
4.527756       12.51110 
1 1 1 1   3  16 o 433.9699 5.069245 1918.667       44.73570  1843.031       
61.12230  2005.928       65.65196  424.9328 7.073398 443.2628 7.283414 
-18.33005      10.15288 
1 1 1 1   3  17 o 170.0815 6.576344 295.2827       22.74537  321.5068       
39.77720  282.5421       27.72542  176.4906 11.14027 166.1911 8.203873 
10.29950       13.83507 
1 1 1 1   3  18 o 237.8588 5.169529 576.9017       25.00470  569.4471       
34.75967  584.8962       35.99673  235.9927 7.243120 239.1429 7.402086 
-3.150162      10.35633 
1 1 1 1   3  19 o 41.60286 15.33963 14.58678       17.11301  6.592891       
23.87999  23.02609       24.53626  41.95501 17.30053 50.69046 18.41632 
-8.735451      25.26795 
1 1 1 1   3  20 o 196.5149 6.163268 394.7034       24.62964  382.5023       
33.86583  408.4027       35.88494  192.9736 8.630030 199.3475 8.852177 
-6.373825      12.36278 
1 1 1 1   3  21 o 26.87075 13.19272 -48.35303      24.82315  0.000000       
0.000000  -48.35303      24.82315  ?        ?        26.87075 13.19272 
0.000000       13.19272 
1 1 1 1   3  22 o 118.6986 10.54546 148.2811       25.18928  176.1519       
46.21682  136.5035       30.04374  125.2544 18.71918 112.7016 13.36982 
12.55283       23.00348 
1 1 1 1   3  23 o 78.76219 11.83568 67.52330       18.37047  46.07858       
26.36896  87.74707       25.60731  62.51392 19.03394 88.53263 14.74200 
-26.01871      24.07525 
1 1 1 1   4  0  o 286.6925 3.702685 835.8340       21.58661  900.9696       
39.25027  807.5891       25.84660  297.6069 6.485570 281.7964 4.510414 
15.81049       7.899775 
1 1 1 1   4  1  o 375.9870 3.775692 1437.601       28.86828  1431.501       
33.27928  1456.146       58.02485  375.1782 4.361993 378.3117 7.542457 
-3.133514      8.712958 
1 1 1 1   4  2  o 455.3590 4.338697 2108.782       40.17582  2153.286       
57.73165  2066.991       55.94485  460.0833 6.170581 450.7722 6.103115 
9.311096       8.678945 
1 1 1 1   4  3  o 564.0479 7.252114 3237.358       83.18251  0.000000       
0.000000  3237.358       83.18251  ?        ?        564.0479 7.252114 
0.000000       7.252114 
1 1 1 1   4  4  o 356.8099 3.822550 1294.861       27.73585  1249.064       
38.34620  1345.108       40.16588  350.3925 5.381658 363.6123 5.432095 
-13.21979      7.646561 
1 1 1 1   4  5  o 205.0401 3.791905 427.6457       15.81058  380.3199       
26.39188  454.1377       19.74602  193.2742 6.714984 211.2746 4.596009 
-18.00034      8.137218 
1 1 1 1   4  6  o 495.6320 4.795243 2499.727       48.33052  2535.023       
69.14359  2466.007       67.58250  498.9125 6.815160 492.0815 6.753763 
6.831085       9.594776 
1 1 1 1   4  7  o 464.8360 5.373716 2198.865       50.79558  2160.313       
86.95618  2218.835       62.58351  460.3454 9.288920 466.8395 6.592360 
-6.494141      11.39049 
1 1 1 1   4  8  o 99.86355 4.915621 101.4561       9.982442  88.00900       
13.89279  115.8090       14.35307  92.67995 7.434004 106.4609 6.663399 
-13.78090      9.983251 
1 1 1 1   4  9  o 466.5578 4.811109 2214.178       45.64593  2233.951       
64.88574  2194.805       64.22550  468.5389 6.810080 464.4161 6.800624 
4.122833       9.624223 
1 1 1 1   4  10 f 406.9682 4.588326 1684.575       37.97224  1654.611       
52.80836  1716.653       54.64021  403.2661 6.439610 410.7526 6.541550 
-7.486481      9.179349 
1 1 1 1   4  11 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 1   4  12 o 187.6831 5.008362 358.3710       19.11492  377.6716       
26.85927  338.5641       27.20928  192.6203 6.857103 182.3601 7.337292 
10.26018       10.04270 
1 1 1 1   4  13 o 173.3005 6.199401 305.7584       21.84746  308.9671       
36.77462  304.0081       27.16001  173.6902 10.46050 172.7422 7.731788 
0.9479675      13.00779 
1 1 1 1   4  14 o 243.4765 4.784484 603.3998       23.68883  623.1912       
33.50843  583.6258       33.49370  247.3119 6.662814 239.3157 6.882411 
7.996231       9.579179 
1 1 1 1   4  15 o 141.4069 6.002999 203.7711       17.26196  226.6570       
24.45028  181.0277       24.37410  148.7794 8.112082 132.7839 9.081256 
15.99545       12.17683 
1 1 1 1   4  16 o 30.90352 13.01327 1.215052       13.93445  20.25425       
19.58578  -18.30008      19.82907  46.93784 16.52406 29.22433 13.62413 
17.71351       21.41638 
1 1 1 1   4  17 o 54.73934 15.50871 31.96383       18.05032  56.58693       
31.82850  20.29023       21.91528  72.24661 20.63772 48.05694 17.41327 
24.18967       27.00254 
1 1 1 1   4  18 f 23.50153 11.27068 -21.93262      15.50638  -26.10122      
22.01520  -17.82842      21.84447  29.12439 13.81592 31.22303 14.46841 
-2.098640      20.00536 
1 1 1 1   4  19 f 214.4307 5.572305 469.3003       24.29816  449.2596       
33.56665  491.3618       35.21840  209.4040 7.882638 218.9910 7.908462 
-9.586960      11.16601 
1 1 1 1   4  20 o 64.06237 15.20082 44.71324       19.50460  39.27983       
26.99975  50.64348       28.20718  60.84325 19.37589 67.89532 19.43965 
-7.052071      27.44677 
1 1 1 1   4  21 o 159.1214 6.988563 259.6814       22.61350  263.8025       
32.61120  255.8644       31.38469  159.3251 10.11787 156.9790 9.882051 
2.346100       14.14306 
1 1 1 1   4  22 o 103.7863 11.26477 114.2228       23.39293  158.6343       
44.00947  96.73343       27.61756  118.5973 18.88123 93.95128 14.95686 
24.64597       24.08752 
1 1 1 1   4  23 o 77.14941 12.73715 65.52006       19.28540  58.41020       
27.65530  72.25059       26.90743  69.98360 18.96140 78.81713 17.26560 
-8.833527      25.64440 
1 1 1 1   5  0  o 570.2058 5.893353 3307.177       68.33537  3481.941       
123.8116  3230.617       81.94769  584.8312 10.41068 563.5142 7.151225 
21.31702       12.63022 
1 1 1 1   5  1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 1   5  2  o 185.6866 2.862130 350.6137       10.80740  358.4364       
15.39994  343.0223       15.17059  187.7368 4.033837 183.6555 4.062068 
4.081299       5.724704 
1 1 1 1   5  3  o 444.9771 4.314285 2013.831       39.03893  2079.961       
56.55733  1953.651       53.95344  452.1562 6.151047 438.2162 6.054514 
13.94000       8.630905 
1 1 1 1   5  4  o 407.1803 4.121466 1686.378       34.12636  1691.794       
48.36614  1681.008       48.15845  407.7584 5.832934 406.4568 5.826485 
1.301575       8.244456 
1 1 1 1   5  5  o 231.5969 3.853857 545.6148       18.15013  560.4539       
31.59367  538.3049       22.17448  234.6201 6.621912 230.0132 4.740775 
4.606934       8.143995 
1 1 1 1   5  6  f 496.0075 4.793644 2503.523       48.35100  2532.100       
68.99870  2475.951       67.77500  498.6244 6.804809 493.0703 6.759417 
5.554077       9.591410 
1 1 1 1   5  7  o 65.11117 7.175069 43.69363       9.342481  46.93231       
16.14527  42.06330       11.45508  66.73929 12.35121 63.59845 9.118168 
3.140839       15.35231 
1 1 1 1   5  8  o 637.9656 5.835104 4141.459       75.70025  4190.397       
108.2172  4094.566       105.9320  641.4696 8.296003 634.1019 8.215171 
7.367676       11.67530 
1 1 1 1   5  9  o 443.9898 4.675551 2005.097       42.21407  2098.258       
61.56423  1922.426       57.99494  454.0962 6.666980 434.6590 6.561302 
19.43723       9.354106 
1 1 1 1   5  10 o 433.5206 4.691062 1911.598       41.35541  1857.940       
57.38848  1969.564       59.64767  427.3177 6.604234 439.9639 6.666917 
-12.64618      9.384226 
1 1 1 1   5  11 f 706.2349 7.471715 5076.606       107.3052  5014.056       
183.9715  5108.858       132.1041  701.1454 12.90301 708.2874 9.171819 
-7.141968      15.83066 
1 1 1 1   5  12 o 226.4362 4.710334 521.6144       21.68947  522.8112       
30.41721  520.3763       30.93649  226.6364 6.599913 226.1033 6.728414 
0.5331268      9.424989 
1 1 1 1   5  13 o 234.6856 5.519689 560.5933       26.34223  589.5995       
45.68287  546.1442       32.24248  240.4466 9.342936 231.5763 6.846726 
8.870331       11.58310 
1 1 1 1   5  14 o 54.41996 13.13989 31.57187       14.37655  26.35040       
20.24611  36.88237       20.41801  51.49568 16.81313 58.98478 16.41881 
-7.489098      23.50019 
1 1 1 1   5  15 o 80.61868 9.422102 67.34789       15.15529  77.75898       
22.03428  58.00076       20.87806  86.05589 12.99610 73.80748 14.42748 
12.24841       19.41780 
1 1 1 1   5  16 o 266.3680 4.695776 722.6724       25.43553  728.6492       
35.75312  716.5475       36.19348  267.2435 6.578930 264.9959 6.716450 
2.247620       9.401756 
1 1 1 1   5  17 o 200.8991 6.084562 411.7834       24.85757  434.4111       
43.28804  400.6511       30.36263  205.4149 10.39683 197.9829 7.541543 
7.431961       12.84402 
1 1 1 1   5  18 o 100.8798 8.643433 105.0660       17.56011  114.8628       
24.97749  95.49151       24.69246  104.8283 11.92953 95.17943 13.10514 
9.648911       17.72169 
1 1 1 1   5  19 o 61.59674 14.27953 41.07517       17.53783  28.43129       
24.47659  54.41506       25.14124  53.77594 18.49885 70.46903 17.59737 
-16.69309      25.53184 
1 1 1 1   5  20 o 168.5843 6.666896 290.7741       22.85558  288.5275       
31.73726  293.1944       32.94171  167.1739 9.373563 168.4468 9.657137 
-1.272919      13.45823 
1 1 1 1   5  21 o 179.8277 6.566900 331.3716       24.01422  376.0270       
35.66048  294.3177       32.48383  190.8543 9.188271 168.5031 9.518946 
22.35126       13.23007 
1 1 1 1   5  22 o 109.9592 10.92561 127.8435       24.10683  136.0330       
44.94217  124.5354       28.56375  108.2115 21.18171 107.5194 13.35141 
0.6921158      25.03847 
1 1 1 1   5  23 o 107.5459 9.013172 121.9675       19.52988  127.0342       
27.72272  116.9756       27.51726  107.8242 12.89963 103.1179 13.44226 
4.706253       18.63048 
1 1 1 1   6  0  o 314.6315 6.833141 1007.089       43.71938  1007.089       
43.71938  0.000000       0.000000  314.6315 6.833141 ?        ?        
0.000000       6.833141 
1 1 1 1   6  1  o 740.7950 6.369671 5582.604       95.95475  5627.287       
136.6944  5539.197       134.7280  743.5635 9.040263 737.7256 8.980732 
5.837952       12.74284 
1 1 1 1   6  2  o 306.5126 3.421691 955.4061       21.32753  946.5757       
30.03863  964.3827       30.28625  305.0682 4.842079 307.9244 4.836710 
-2.856201      6.843938 
1 1 1 1   6  3  o 792.8887 6.809130 6397.130       109.7881  6413.683       
155.6058  6380.722       154.9241  793.6023 9.642095 791.5629 9.624587 
2.039429       13.62361 
1 1 1 1   6  4  o 142.0760 4.451500 205.3363       12.86111  0.000000       
0.000000  205.3363       12.86111  ?        ?        142.0760 4.451500 
0.000000       4.451500 
1 1 1 1   6  5  o 264.2558 3.983844 710.3852       21.40811  673.8640       
36.11945  730.1627       26.58002  257.2408 6.904778 267.8746 4.879467 
-10.63373      8.454889 
1 1 1 1   6  6  o 125.6062 3.820464 160.4977       9.758402  156.6546       
13.59191  164.5861       14.01892  124.0615 5.387557 127.1626 5.421306 
-3.101044      7.643057 
1 1 1 1   6  7  o 400.6616 4.951416 1633.378       40.34210  1602.153       
69.00702  1649.591       49.72431  396.5323 8.557821 402.5726 6.073978 
-6.040253      10.49426 
1 1 1 1   6  8  o 504.2725 4.950006 2586.968       50.76009  2555.557       
71.13503  2619.555       72.45438  501.0652 6.981324 507.2971 7.023456 
-6.231842      9.902919 
1 1 1 1   6  9  o 562.4091 5.387776 3217.711       61.61881  3134.070       
85.39021  3308.587       89.00656  554.9141 7.567123 570.1464 7.676871 
-15.23224      10.77941 
1 1 1 1   6  10 o 276.7261 4.171263 778.8363       23.47303  801.5307       
33.95422  758.0619       32.48617  280.6873 5.948666 272.9726 5.852320 
7.714661       8.344835 
1 1 1 1   6  11 f 922.8144 9.262156 8672.943       173.8112  8495.891       
295.5457  8766.557       214.9039  911.8740 15.93816 927.3889 11.39544 
-15.51483      19.59288 
1 1 1 1   6  12 o 550.2697 5.510814 3081.101       61.66558  3057.976       
86.62739  3104.856       87.80105  547.9928 7.773721 552.1724 7.819403 
-4.179565      11.02605 
1 1 1 1   6  13 o 366.5710 5.442496 1367.709       40.57025  1358.055       
70.37461  1372.515       49.65125  364.8853 9.484363 367.1195 6.650761 
-2.234161      11.58386 
1 1 1 1   6  14 o 262.6702 4.654836 702.2802       24.86375  716.4263       
35.61019  688.8234       34.73158  265.1582 6.604163 260.0029 6.568933 
5.155273       9.314819 
1 1 1 1   6  15 o 199.9895 5.089281 407.3518       20.69736  418.1902       
29.88123  397.3564       28.69572  202.4559 7.257996 197.3584 7.150068 
5.097504       10.18833 
1 1 1 1   6  16 o 217.9720 4.891525 484.0130       21.68185  484.0116       
30.27904  484.0143       31.06146  217.7724 6.837351 217.7516 7.014701 
0.2079773E-01  9.795683 
1 1 1 1   6  17 o 204.2674 6.081280 425.7292       25.26071  485.0462       
45.58594  399.4438       30.34583  217.3254 10.31500 197.6750 7.549110 
19.65031       12.78234 
1 1 1 1   6  18 o 172.9559 5.928198 305.3419       20.85016  301.5783       
28.73484  309.5270       30.30058  171.5762 8.235695 173.7680 8.574916 
-2.191727      11.88932 
1 1 1 1   6  19 o 207.4531 5.712581 439.3794       24.09926  420.8542       
33.97480  458.1392       34.18922  202.5844 8.247066 211.4308 7.951871 
-8.846466      11.45628 
1 1 1 1   6  20 o 31.35976 14.05565 -7.591673      18.52983  -4.022363      
26.18807  -11.17030      26.22223  39.31781 17.20621 36.94261 16.62609 
2.375202       23.92657 
1 1 1 1   6  21 o 71.81700 13.60985 55.85660       19.14862  56.65308       
26.83660  55.03051       27.33065  71.13195 18.41043 70.07384 18.79287 
1.058105       26.30809 
1 1 1 1   6  22 o 40.98081 16.56917 9.956601       21.38733  -4.015589      
41.38062  15.04939       24.98288  48.04397 21.30160 45.63141 18.08982 
2.412560       27.94637 
1 1 1 1   6  23 o 89.29494 10.45964 85.47189       18.63322  110.3802       
27.02413  62.89835       25.72645  99.95030 13.65293 73.16884 17.52188 
26.78146       22.21303 
1 1 1 1   7  0  o 351.2295 4.177770 1254.582       29.83918  1222.481       
51.18521  1271.108       36.72527  346.6296 7.261518 353.5159 5.108632 
-6.886292      8.878500 
1 1 1 1   7  1  o 680.4315 5.924039 4709.688       81.96977  4566.855       
112.7575  4869.766       119.3705  669.8860 8.277386 691.7294 8.486122 
-21.84338      11.85451 
1 1 1 1   7  2  o 892.1445 7.554109 8099.547       137.0471  8355.440       
199.4200  7870.534       188.6554  905.7226 10.82735 879.0864 10.55325 
26.63623       15.11961 
1 1 1 1   7  3  o 776.6238 6.690554 6137.629       105.6633  6126.365       
149.0882  6148.998       149.7752  775.5928 9.452749 777.0206 9.478855 
-1.427734      13.38668 
1 1 1 1   7  4  o 381.0346 3.973879 1476.819       30.79147  1518.991       
44.36598  1437.629       42.76933  386.3563 5.646907 375.8694 5.595566 
10.48691       7.949712 
1 1 1 1   7  5  o 423.3240 4.302824 1823.229       37.04058  1774.899       
51.50008  1875.023       53.31357  417.5455 6.065304 429.1571 6.108998 
-11.61160      8.608587 
1 1 1 1   7  6  o 269.0337 4.159252 736.3755       22.75482  729.5203       
27.83624  750.1829       39.50523  267.7368 5.112707 271.3822 7.158497 
-3.645355      8.796809 
1 1 1 1   7  7  o 106.5244 5.176136 115.4645       11.21260  146.4514       
20.27635  101.8148       13.45746  119.6040 8.389771 99.78274 6.670613 
19.82124       10.71846 
1 1 1 1   7  8  o 513.4305 5.011506 2681.785       52.32404  2720.021       
74.81380  2645.173       73.20709  516.9330 7.116985 509.7754 7.061921 
7.157654       10.02608 
1 1 1 1   7  9  o 439.2680 4.639558 1962.651       41.44361  1896.577       
57.38527  2034.683       59.91690  431.7310 6.536357 447.1711 6.589070 
-15.44012      9.281154 
1 1 1 1   7  10 o 682.1386 6.234552 4734.226       86.48273  4664.988       
120.7468  4807.156       123.9252  676.9168 8.771807 687.1442 8.868705 
-10.22742      12.47391 
1 1 1 1   7  11 o 302.2093 5.148809 929.1071       31.64216  1003.394       
57.17519  896.3093       37.99038  313.8913 8.957294 296.7887 6.294696 
17.10260       10.94789 
1 1 1 1   7  12 o 112.5368 6.989400 129.4294       15.91598  143.3906       
22.19636  114.6540       22.83439  118.2564 9.305258 105.4826 10.79746 
12.77372       14.25388 
1 1 1 1   7  13 o 163.5929 6.296589 272.5100       20.94697  321.5974       
37.29995  249.8978       25.31596  177.1933 10.39718 156.3866 7.987198 
20.80678       13.11094 
1 1 1 1   7  14 o 132.0765 6.298366 177.7276       16.91628  165.1884       
23.89504  190.3262       23.95151  126.8401 9.329507 136.2794 8.688008 
-9.439293      12.74838 
1 1 1 1   7  15 o 95.76467 8.007648 94.29309       15.45104  115.0971       
22.48413  75.67756       21.26864  105.4748 10.62757 84.90937 12.70852 
20.56544       16.56658 
1 1 1 1   7  16 o 127.7779 6.366514 166.5611       16.54280  157.7213       
22.74722  176.4850       24.10158  123.8004 9.099321 130.9935 9.104392 
-7.193146      12.87197 
1 1 1 1   7  17 o 48.85145 15.27005 24.66769       16.84098  54.60833       
30.11330  11.04153       20.31489  70.91910 20.01007 41.75385 16.38845 
29.16525       25.86473 
1 1 1 1   7  18 o 26.85583 12.61219 -17.95200      17.51950  -33.59539      
22.62745  5.461982       27.68266  27.92571 13.44954 44.21674 18.46249 
-16.29103      22.84193 
1 1 1 1   7  19 o 77.00099 11.32452 62.50830       17.20274  13.47365       
23.89688  115.2514       24.78406  45.20793 17.76492 104.9076 11.82372 
-59.69969      21.33994 
1 1 1 1   7  20 o 49.18837 16.03139 24.84522       18.41019  5.050926       
26.36401  43.68402       25.71983  42.89908 17.97340 63.30983 18.69009 
-20.41075      25.92995 
1 1 1 1   7  21 o 119.6164 8.651632 148.2795       20.90259  163.3493       
29.53951  133.1663       29.58199  124.6024 11.79857 111.8898 13.25922 
12.71263       17.74861 
1 1 1 1   7  22 o 132.1577 9.563585 182.8730       25.52819  157.2677       
46.11771  194.1848       30.65272  116.9561 20.11601 135.4768 11.22754 
-18.52067      23.03718 
1 1 1 1   7  23 o 49.60977 15.69025 27.62077       17.72843  27.00161       
24.31254  28.32380       25.90690  50.59895 18.33995 51.77002 18.90611 
-1.171074      26.33998 
1 1 1 1   8  0  o 320.4689 3.972875 1044.447       25.89061  1081.448       
46.18660  1027.492       31.26470  326.0235 6.966516 317.8407 4.837192 
8.182800       8.481201 
1 1 1 1   8  1  o 816.1990 6.950687 6778.198       115.3653  6579.633       
158.6183  7001.201       168.0963  803.8912 9.702967 829.2137 9.968740 
-25.32251      13.91127 
1 1 1 1   8  2  f 530.2206 4.867647 2859.596       52.48402  2832.107       
73.64474  2887.968       74.81635  527.5638 6.864602 532.7388 6.906068 
-5.174988      9.737378 
1 1 1 1   8  3  o 295.6700 3.449780 889.0865       20.74197  921.0990       
29.90665  859.4154       28.79223  300.9081 4.887452 290.6585 4.871255 
10.24960       6.900457 
1 1 1 1   8  4  o 284.2539 3.469061 821.8345       20.05256  815.7722       
28.20189  828.0335       28.51796  283.1550 4.897817 285.2743 4.915915 
-2.119293      6.939368 
1 1 1 1   8  5  o 213.0661 3.361341 461.7695       14.56392  452.7561       
20.42829  471.0859       20.76892  210.9335 4.762501 215.1615 4.746768 
-4.228027      6.724077 
1 1 1 1   8  6  o 173.2892 4.058269 305.4990       14.30091  281.0699       
17.20792  360.0442       25.71300  166.1894 5.091828 188.0313 6.724672 
-21.84196      8.434923 
1 1 1 1   8  7  o 134.3527 4.696685 183.6440       12.83185  179.4524       
22.43426  185.6821       15.64343  132.4605 8.371709 135.0769 5.695073 
-2.616455      10.12519 
1 1 1 1   8  8  o 612.5048 5.671467 3817.138       70.64092  3721.588       
97.73776  3921.642       102.2153  604.5906 7.949678 620.6121 8.099239 
-16.02142      11.34879 
1 1 1 1   8  9  o 232.3362 3.961646 549.0004       18.71734  605.7532       
27.40709  499.3941       25.62346  244.0187 5.523170 221.5593 5.687171 
22.45935       7.927756 
1 1 1 1   8  10 f 342.0519 4.295363 1189.986       29.87744  1153.715       
41.61257  1228.581       42.92410  336.7455 6.076749 347.4997 6.074286 
-10.75424      8.592080 
1 1 1 1   8  11 o 278.1337 5.082901 786.9738       28.74860  807.5310       
49.73733  776.6600       35.22980  281.5989 8.685604 276.2667 6.270904 
5.332214       10.71279 
1 1 1 1   8  12 o 350.2706 4.650111 1248.203       33.12214  1312.286       
48.29004  1191.269       45.51647  359.0412 6.613964 342.0901 6.542994 
16.95108       9.303510 
1 1 1 1   8  13 o 405.3544 5.622921 1672.700       46.34985  1588.330       
78.74426  1717.428       57.33420  394.5098 9.815436 410.6160 6.866359 
-16.10614      11.97872 
1 1 1 1   8  14 o 179.8139 5.265178 329.2358       19.25253  340.3008       
27.53270  318.6486       26.93162  182.6788 7.411552 176.7661 7.492250 
5.912781       10.53873 
1 1 1 1   8  15 o 221.7684 4.840179 500.8659       21.82792  524.1567       
31.57173  479.5384       30.21185  226.6829 6.849015 216.8200 6.852145 
9.862930       9.688184 
1 1 1 1   8  16 o 350.5661 4.787557 1251.973       34.12992  1304.721       
49.17651  1202.955       47.40615  357.5336 6.763780 343.3019 6.790584 
14.23172       9.584401 
1 1 1 1   8  17 o 197.8022 6.080505 399.2633       24.45807  386.6504       
41.23018  406.1115       30.38083  193.6817 10.50760 199.3038 7.496052 
-5.622086      12.90738 
1 1 1 1   8  18 o 192.3922 6.250278 378.0509       24.45333  375.2206       
30.39736  383.2418       41.16638  191.4298 7.808630 192.6338 10.54903 
-1.203995      13.12466 
1 1 1 1   8  19 o 49.07725 15.44353 25.07042       17.19358  28.78430       
24.79756  21.63198       23.86031  54.05391 18.61830 49.52440 18.13517 
4.529514       25.99087 
1 1 1 1   8  20 o 49.39868 16.10729 25.08931       18.58415  43.38089       
26.74424  8.009961       25.84284  63.19424 19.15285 43.77166 18.01743 
19.42257       26.29561 
1 1 1 1   8  21 o 98.44915 10.03046 101.4554       19.80045  92.75325       
29.17108  108.8901       26.96320  92.03010 16.17781 100.9198 13.47503 
-8.889717      21.05464 
1 1 1 1   8  22 o 156.8873 8.353566 255.8512       26.55485  225.6192       
47.12842  269.9142       32.14307  142.8473 16.52941 160.4536 9.899492 
-17.60629      19.26710 
1 1 1 1   8  23 o 30.55196 13.97143 -9.865168      19.43985  -5.298073      
23.64898  -19.38147      34.13709  35.55273 15.91090 38.76444 18.00616 
-3.211704      24.02870 
1 1 1 1   9  0  o 457.5720 5.000497 2129.622       46.52903  2237.448       
84.10964  2082.073       55.85370  468.8279 8.822282 452.3949 6.071315 
16.43295       10.70951 
1 1 1 1   9  1  o 575.4858 5.161772 3368.795       60.40666  3315.934       
84.29232  3424.604       86.61069  570.8346 7.261499 580.1075 7.341953 
-9.272888      10.32636 
1 1 1 1   9  2  o 282.8397 3.824721 813.6135       21.99842  812.6786       
27.02133  815.4507       37.88219  282.6578 4.701044 283.0847 6.580627 
-0.4268494     8.087303 
1 1 1 1   9  3  o 376.1346 3.903211 1439.019       29.85498  1443.876       
42.32115  1434.208       42.12219  376.6999 5.524723 375.4369 5.517248 
1.263000       7.807855 
1 1 1 1   9  4  o 572.0284 5.234180 3329.927       60.88603  3413.019       
87.85278  3253.131       84.45914  578.8611 7.463280 565.1548 7.348992 
13.70624       10.47417 
1 1 1 1   9  5  o 205.4956 3.350505 429.5421       14.00117  418.0204       
19.57162  441.6193       20.03788  202.6786 4.748622 208.3217 4.730052 
-5.643127      6.702447 
1 1 1 1   9  6  o 541.1411 5.898678 2980.862       64.91075  2915.913       
78.13750  3125.497       116.6026  535.0650 7.181274 553.4512 10.36042 
-18.38623      12.60592 
1 1 1 1   9  7  o 201.1091 4.276485 411.4267       17.48920  450.9555       
31.32161  393.5190       21.08177  210.4515 7.318812 196.6592 5.271588 
13.79228       9.019681 
1 1 1 1   9  8  o 429.3066 4.528673 1874.734       39.53575  1963.351       
57.54142  1795.490       54.41359  439.2412 6.442080 420.0486 6.370248 
19.19254       9.059827 
1 1 1 1   9  9  o 387.1460 4.393903 1524.455       34.59208  1446.510       
47.36163  1613.580       50.64437  377.0578 6.176852 398.2346 6.253754 
-21.17679      8.789934 
1 1 1 1   9  10 f 116.9691 5.531191 139.1861       13.15652  151.4263       
18.52509  126.7295       18.68825  121.7444 7.519536 111.2647 8.319828 
10.47974       11.21441 
1 1 1 1   9  11 o 337.7650 5.163762 1160.646       35.46763  1096.312       
59.14857  1196.766       44.31944  328.0870 8.865512 342.9297 6.355324 
-14.84268      10.90814 
1 1 1 1   9  12 o 195.9577 5.015314 390.7131       19.98535  406.2856       
28.12163  374.8223       28.40766  199.7597 6.922790 191.8551 7.281330 
7.904587       10.04703 
1 1 1 1   9  13 o 209.0294 10.02803 446.0566       42.62600  446.0566       
42.62600  0.000000       0.000000  209.0294 10.02803 ?        ?        
0.000000       10.02803 
1 1 1 1   9  14 o 213.1881 4.863792 462.7169       21.08577  461.7531       
29.85115  463.6767       29.78852  212.8255 6.897410 213.2706 6.868572 
-0.4451752     9.734040 
1 1 1 1   9  15 o 208.0203 4.986738 440.7586       21.09472  500.7009       
31.38450  391.3630       28.48998  221.5286 6.966810 195.8348 7.154032 
25.69383       9.985821 
1 1 1 1   9  16 o 175.6808 5.420554 314.6047       19.36508  282.6061       
26.99060  348.5513       27.80006  166.2624 7.983016 184.7153 7.401020 
-18.45287      10.88594 
1 1 1 1   9  17 o 84.05922 11.22419 73.98997       18.70704  71.81690       
33.12419  75.00764       22.66809  80.85773 20.20288 84.06730 13.73412 
-3.209564      24.42913 
1 1 1 1   9  18 o 32.10903 14.11028 -4.101340      17.77488  6.463782       
23.11547  -19.38679      27.80383  41.36555 17.03514 35.94343 16.53662 
5.422127       23.74143 
1 1 1 1   9  19 o 68.08248 13.66466 49.90608       18.26086  47.15939       
26.53048  52.37879       25.17250  65.71735 18.86383 69.06029 17.80912 
-3.342934      25.94241 
1 1 1 1   9  20 o 173.8803 6.605989 309.4594       23.35822  311.7986       
33.20762  307.1686       32.86211  173.6941 9.437010 172.4044 9.408937 
1.289673       13.32611 
1 1 1 1   9  21 o 49.60022 16.14128 25.79321       18.66606  25.85437       
27.38481  25.74014       25.51035  52.73113 19.41042 51.93210 18.79194 
0.7990265      27.01669 
1 1 1 1   9  22 o 41.12847 16.72066 9.886392       21.91356  5.660429       
40.49893  11.63587       26.05763  50.01202 21.64635 44.45594 18.17134 
5.556076       28.26238 
1 1 1 1   9  23 f 97.33056 11.24435 102.4984       21.84578  79.09102       
26.13358  156.7982       39.80353  82.78651 16.10315 116.3003 17.36192 
-33.51377      23.68011 
1 1 1 1   10 0  o 307.2089 4.768086 959.9677       29.78717  0.000000       
0.000000  959.9677       29.78717  ?        ?        307.2089 4.768086 
0.000000       4.768086 
1 1 1 1   10 1  o 704.9021 6.117743 5055.594       87.69433  4932.276       
121.2776  5190.726       126.9540  696.0261 8.568480 714.0096 8.743614 
-17.98358      12.24213 
1 1 1 1   10 2  f 364.0096 3.780053 1347.661       27.98093  1364.902       
32.64867  1299.965       54.30403  366.3112 4.382924 357.3503 7.472854 
8.960907       8.663346 
1 1 1 1   10 3  o 409.1793 4.113526 1703.139       34.22783  1641.326       
47.14391  1772.041       49.77403  401.5952 5.772789 417.2741 5.865836 
-15.67896      8.230014 
1 1 1 1   10 4  o 86.43623 3.952601 76.00576       6.947526  81.76557       
10.18524  70.99386       9.500985  89.45041 5.628041 83.32410 5.640430 
6.126312       7.968018 
1 1 1 1   10 5  o 237.9317 3.428748 575.8586       16.58973  567.1854       
23.31775  584.7489       23.60778  236.0811 4.857065 239.7091 4.843053 
-3.627975      6.859026 
1 1 1 1   10 6  o 352.8144 4.596080 1266.500       32.97504  1256.077       
40.29510  1287.631       57.37418  351.3000 5.640565 355.5094 7.936225 
-4.209412      9.736511 
1 1 1 1   10 7  o 357.3296 4.736487 1298.990       34.41730  1221.856       
57.40956  1342.266       43.00166  346.3655 8.150763 363.1805 5.822526 
-16.81497      10.01682 
1 1 1 1   10 8  o 258.5506 5.432261 680.0919       28.56128  680.0919       
28.56128  0.000000       0.000000  258.5506 5.432261 ?        ?        
0.000000       5.432261 
1 1 1 1   10 9  o 1144.263 9.631789 13334.08       224.1218  13475.51       
320.2363  13198.30       313.7747  1149.382 13.70108 1137.534 13.56444 
11.84753       19.27988 
1 1 1 1   10 10 o 443.6472 4.776606 2002.056       43.09319  1993.896       
60.67215  2010.364       61.21745  442.6517 6.740247 444.4742 6.772941 
-1.822479      9.555295 
1 1 1 1   10 11 o 815.7218 8.366022 6776.289       138.7754  6284.488       
224.1050  7082.169       176.7390  784.4366 14.04890 833.5653 10.42657 
-49.12866      17.49528 
1 1 1 1   10 12 o 444.0078 4.980088 2005.984       44.96545  1928.356       
61.66485  2094.129       65.70916  435.1759 6.968213 453.4804 7.125511 
-18.30444      9.966389 
1 1 1 1   10 13 o 403.3362 5.619410 1656.288       46.09027  1656.208       
79.46838  1656.329       56.57825  402.7944 9.701962 403.2045 6.900375 
-0.4101257     11.90560 
1 1 1 1   10 14 o 304.1137 4.636505 941.5260       28.67333  948.1238       
40.69205  935.0193       40.40985  304.9879 6.561082 302.8728 6.561082 
2.115051       9.278771 
1 1 1 1   10 15 o 151.5780 5.879679 234.2064       18.12346  225.5155       
25.79955  242.6731       25.46463  148.2806 8.592950 153.8986 8.165977 
-5.617996      11.85420 
1 1 1 1   10 16 o 143.7923 6.103886 210.9212       17.84817  205.2431       
24.91891  216.9027       25.57615  141.3405 8.712306 145.3172 8.694920 
-3.976700      12.30877 
1 1 1 1   10 17 o 238.6558 5.149577 580.7064       24.99166  606.0108       
36.42078  558.1890       34.35656  243.4534 7.356681 233.6725 7.230206 
9.780899       10.31487 
1 1 1 1   10 18 o 148.6541 7.299742 226.1340       22.06662  240.0246       
27.57019  201.3743       36.80878  152.6581 8.919942 138.6867 13.21135 
13.97145       15.94067 
1 1 1 1   10 19 o 39.73168 15.20064 11.71736       17.14652  -10.38289      
24.27931  33.70700       24.21848  35.62658 16.01938 56.84148 18.37722 
-21.21490      24.37915 
1 1 1 1   10 20 o 123.5642 8.292371 157.5998       20.71561  128.9302       
28.74568  188.5764       29.87982  110.4346 13.05258 134.4836 11.02277 
-24.04896      17.08424 
1 1 1 1   10 21 o 47.61893 16.13326 23.06463       18.60713  -2.420842      
26.62711  47.38728       26.01256  39.80925 17.38740 65.01049 18.68400 
-25.20124      25.52280 
1 1 1 1   10 22 o 102.9725 11.69833 113.5358       24.06130  88.43395       
42.46047  125.4094       29.20269  84.70021 23.71261 107.3281 13.69199 
-22.62790      27.38172 
1 1 1 1   10 23 o 32.72584 14.59013 -4.167544      19.68413  12.08349       
23.98440  -37.69875      34.45188  42.54651 17.41705 35.01036 16.79256 
7.536152       24.19388 
1 1 1 1   11 0  o 398.6050 3.943684 1615.991       31.96659  1631.447       
45.54070  1600.979       44.88167  400.4452 5.592490 396.6895 5.563740 
3.755646       7.888671 
1 1 1 1   11 1  o 622.2004 5.514540 3938.803       69.77357  3939.029       
98.62292  3938.577       98.72663  622.0163 7.796948 621.9797 7.805606 
0.3656006E-01  11.03267 
1 1 1 1   11 2  f 355.9479 4.313604 1288.838       31.22325  1305.182       
38.68840  1258.308       52.87675  358.1542 5.312015 351.5466 7.396571 
6.607635       9.106414 
1 1 1 1   11 3  o 257.4701 3.311820 674.2557       17.33983  668.8160       
24.41398  679.7930       24.63192  256.3853 4.682675 258.4805 4.686181 
-2.095276      6.624782 
1 1 1 1   11 4  o 423.5236 4.911216 1825.421       42.29783  1915.343       
75.38172  1784.099       51.10052  433.4382 8.552388 418.6105 6.002936 
14.82770       10.44886 
1 1 1 1   11 5  o 79.35519 4.625815 64.29665       7.432378  62.10137       
10.44595  66.54744       10.57722  77.80382 6.666698 80.57640 6.510860 
-2.772583      9.318592 
1 1 1 1   11 6  o 308.4879 4.358148 968.1677       27.33956  993.5931       
34.02242  921.8241       45.93312  312.4660 5.354403 300.8419 7.508205 
11.62411       9.221864 
1 1 1 1   11 7  o 428.2980 5.166454 1866.355       44.99768  1943.218       
80.19159  1831.032       54.36277  436.7385 9.029338 424.1587 6.302630 
12.57980       11.01145 
1 1 1 1   11 8  o 467.4753 4.761132 2222.945       45.26060  2310.987       
65.85063  2144.110       62.31217  476.5350 6.795380 459.0144 6.675673 
17.52057       9.525849 
1 1 1 1   11 9  o 215.8229 4.074048 473.7413       17.88031  465.4225       
25.12451  482.2784       25.45181  213.8885 5.776421 217.7278 5.748487 
-3.839294      8.149364 
1 1 1 1   11 10 o 420.6054 4.676437 1799.492       39.99828  1814.657       
56.86611  1784.643       56.27082  422.2866 6.622086 418.7805 6.607625 
3.506042       9.354824 
1 1 1 1   11 11 o 377.2532 5.341037 1448.047       40.97415  1495.208       
71.87643  1425.343       49.87114  383.0890 9.226465 374.2197 6.553469 
8.869263       11.31705 
1 1 1 1   11 12 o 119.2847 6.905304 145.3783       16.67852  180.1716       
23.31306  108.9004       23.87080  132.6741 8.688950 102.6179 11.64533 
30.05621       14.52968 
1 1 1 1   11 13 o 234.2146 5.574221 558.5395       26.54908  583.9517       
45.67968  545.5765       32.62520  239.1777 9.391847 231.3927 6.933495 
7.785004       11.67391 
1 1 1 1   11 14 o 496.9593 7.511674 2519.664       75.91174  0.000000       
0.000000  2519.664       75.91174  ?        ?        496.9593 7.511674 
0.000000       7.511674 
1 1 1 1   11 15 o 93.89178 8.069522 90.73623       15.25760  72.76402       
21.15469  110.2206       22.02672  83.11928 12.93640 103.1342 10.65621 
-20.01492      16.76023 
1 1 1 1   11 16 o 261.8785 4.856159 698.8005       25.86093  682.3629       
35.81183  716.7136       37.38459  258.5120 6.812309 264.9179 6.939527 
-6.405914      9.724433 
1 1 1 1   11 17 o 150.5282 6.254593 231.3485       19.14557  230.5229       
26.97136  232.1870       27.18171  149.6829 8.901052 150.2165 8.938691 
-0.5336609     12.61463 
1 1 1 1   11 18 o 263.2520 5.933150 707.7159       31.76204  711.4412       
39.62208  701.0178       53.12910  263.6276 7.390860 260.9562 10.01183 
2.671356       12.44433 
1 1 1 1   11 19 o 66.42661 13.76878 47.63315       17.98814  25.37910       
25.22232  70.66896       25.66151  52.18363 18.71056 80.60382 16.21748 
-28.42019      24.76069 
1 1 1 1   11 20 o 31.29662 13.93639 -6.017901      17.90237  54.96289       
26.41999  -57.78727      24.34291  70.33853 18.29720 24.99620 12.41579 
45.34233       22.11197 
1 1 1 1   11 21 o 88.07813 11.31127 82.28114       19.79144  73.52634       
27.71444  91.39211       28.27255  81.07499 17.33506 91.24834 15.80937 
-10.17335      23.46146 
1 1 1 1   11 22 o 125.1800 12.45135 168.5613       31.27526  192.6630       
44.15858  144.3033       44.30156  130.9955 16.97631 110.8627 20.40269 
20.13283       26.54175 
1 1 1 1   11 23 o 68.49052 18.17097 56.63543       25.72524  56.63543       
25.72524  0.000000       0.000000  68.49052 18.17097 ?        ?        
0.000000       18.17097 
1 1 1 1   12 0  o 761.5790 6.542470 5903.221       101.3230  5776.624       
140.4268  6040.706       146.3408  753.0027 9.170692 769.9930 9.346034 
-16.99030      13.09389 
1 1 1 1   12 1  o 125.6594 3.968635 160.6151       10.14116  160.6151       
10.14116  0.000000       0.000000  125.6594 3.968635 ?        ?        
0.000000       3.968635 
1 1 1 1   12 2  o 503.6288 5.422877 2581.190       55.53819  2549.659       
67.48689  2647.353       97.75838  500.4355 6.631623 509.5942 9.433614 
-9.158691      11.53133 
1 1 1 1   12 3  o 135.7464 4.446772 187.4902       12.27509  187.4902       
12.27509  0.000000       0.000000  135.7464 4.446772 ?        ?        
0.000000       4.446772 
1 1 1 1   12 4  o 571.1940 6.050372 3321.992       70.27763  3413.902       
124.1749  3278.679       85.24342  578.2119 10.56076 567.2623 7.389677 
10.94958       12.88941 
1 1 1 1   12 5  o 188.6161 4.869504 362.0271       18.67734  362.0271       
18.67734  0.000000       0.000000  188.6161 4.869504 ?        ?        
0.000000       4.869504 
1 1 1 1   12 6  o 425.9469 5.068651 1846.111       43.90351  1853.974       
54.04935  1830.859       75.27267  426.7717 6.227926 423.8716 8.732761 
2.900055       10.72605 
1 1 1 1   12 7  o 188.4828 4.386261 361.3764       16.81193  365.3014       
29.48931  359.4865       20.46308  189.4165 7.655882 187.9686 5.353457 
1.447968       9.341949 
1 1 1 1   12 8  o 568.5832 5.407991 3288.880       62.52900  3114.320       
84.70624  3497.901       92.69093  553.1459 7.530509 586.2009 7.775696 
-33.05505      10.82451 
1 1 1 1   12 9  o 568.9246 5.453270 3292.748       63.09039  3403.590       
91.67456  3193.017       86.95868  578.2629 7.796005 560.1017 7.634747 
18.16119       10.91179 
1 1 1 1   12 10 o 493.6161 5.066946 2478.685       50.86126  2450.576       
71.35912  2507.709       72.51209  490.6854 7.151463 496.3702 7.183785 
-5.684784      10.13658 
1 1 1 1   12 11 o 143.6997 11.18806 211.8873       32.43587  211.8873       
32.43587  0.000000       0.000000  143.6997 11.18806 ?        ?        
0.000000       11.18806 
1 1 1 1   12 12 f 353.1241 5.336616 1269.110       38.32169  1283.444       
47.27623  1241.648       65.43862  355.0251 6.548358 348.9451 9.222010 
6.079956       11.31046 
1 1 1 1   12 13 o 251.4881 5.504508 643.9959       28.15058  661.6582       
48.39073  634.9612       34.60945  254.5678 9.347753 249.6216 6.818064 
4.946198       11.57007 
1 1 1 1   12 14 o 108.4731 7.382636 120.6021       16.18802  125.5076       
22.87625  115.6819       22.91042  110.2565 10.32320 105.7344 10.80719 
4.522034       14.94536 
1 1 1 1   12 15 o 159.9272 5.655920 260.7186       18.39404  252.2773       
25.88806  269.3250       26.13996  156.8955 8.142037 162.3474 7.917867 
-5.451920      11.35717 
1 1 1 1   12 16 o 341.7730 4.825298 1190.278       33.53616  1171.178       
47.11171  1209.900       47.74930  338.6456 6.841196 344.2025 6.821840 
-5.556915      9.661235 
1 1 1 1   12 17 o 297.1111 4.920276 899.9487       29.72760  933.4575       
42.68821  868.3972       41.42269  302.1924 6.946610 291.4617 6.988846 
10.73074       9.853901 
1 1 1 1   12 18 o 278.1387 5.874984 790.0484       33.22918  830.3006       
42.01928  722.8535       54.29031  284.8083 7.255118 264.9215 10.07752 
19.88684       12.41746 
1 1 1 1   12 19 o 68.01836 16.26198 50.64892       22.18852  56.49300       
26.36707  36.46786       41.07316  71.55365 18.10606 63.49617 23.69464 
8.057476       29.82055 
1 1 1 1   12 20 o 75.94884 15.63879 63.08616       23.34872  57.33499       
27.26166  78.91829       45.23180  71.71009 18.55350 82.88557 24.86050 
-11.17548      31.02059 
1 1 1 1   12 21 o 60.90180 15.53861 41.25507       19.30665  20.23732       
26.25145  66.01643       28.49360  49.11906 18.80448 76.22901 18.55591 
-27.10995      26.41837 
1 1 1 1   12 22 o 89.27047 10.98974 85.38891       19.52889  77.80099       
27.65702  92.93418       27.57919  82.34421 17.07681 91.07398 15.44316 
-8.729774      23.02408 
1 1 1 1   12 23 o 32.72292 14.55183 -3.363147      19.45077  -0.5420403     
23.62393  -9.300680      34.27247  36.93326 16.24779 40.91852 18.64942 
-3.985260      24.73442 
1 1 1 1   13 0  o 155.5537 2.793962 246.0811       8.837969  233.0997       
12.36988  259.6181       12.63179  151.3774 4.018399 159.7585 3.888209 
-8.381088      5.591574 
1 1 1 1   13 1  o 298.9930 3.388841 909.2741       20.60457  910.6278       
29.17666  907.9274       29.10200  299.1631 4.795966 298.7194 4.790800 
0.4436951      6.778868 
1 1 1 1   13 2  o 181.2905 2.704926 334.2565       9.971990  327.2911       
12.81681  344.9406       15.87353  179.3762 3.513693 184.1315 4.239298 
-4.755310      5.506150 
1 1 1 1   13 3  o 308.4438 3.563031 967.7953       22.34843  944.8640       
25.55055  1042.468       46.10684  304.7426 4.123021 319.8932 7.087759 
-15.15057      8.199733 
1 1 1 1   13 4  o 289.1275 4.099735 850.5152       24.10442  892.4514       
42.25168  830.2809       29.34909  295.9844 7.019784 285.6195 5.053071 
10.36490       8.649330 
1 1 1 1   13 5  o 452.6863 4.517745 2085.028       41.58824  2103.198       
59.03760  2067.129       58.59422  454.5002 6.387681 450.5854 6.394790 
3.914764       9.038573 
1 1 1 1   13 6  o 201.3841 3.618707 412.5033       14.81938  422.7283       
21.06004  402.4745       20.85696  203.8293 5.080908 198.8843 5.157025 
4.944992       7.239512 
1 1 1 1   13 7  o 262.6497 4.375362 701.7138       23.36912  761.9280       
42.55834  675.7206       27.96180  273.5672 7.650138 257.7125 5.335537 
15.85464       9.326981 
1 1 1 1   13 8  o 885.4165 7.650187 7979.696       137.7435  7931.551       
193.7397  8028.908       195.8753  882.2684 10.79857 887.6572 10.85133 
-5.388855      15.30884 
1 1 1 1   13 9  o 506.1341 5.076573 2605.885       52.25016  2564.516       
73.00153  2649.339       74.81771  501.9852 7.151377 510.2154 7.211065 
-8.230255      10.15587 
1 1 1 1   13 10 o 139.2784 5.412942 197.3591       15.33093  259.2733       
21.90752  137.9388       21.46178  159.6098 6.749663 116.0114 9.172119 
43.59838       11.38796 
1 1 1 1   13 11 o 171.8930 5.245720 300.6500       18.33643  351.5255       
26.66707  255.0238       25.25385  185.8126 7.057466 158.2406 7.847985 
27.57199       10.55456 
1 1 1 1   13 12 o 411.7656 5.586647 1725.919       46.77918  1696.987       
57.05460  1785.259       81.70982  408.1794 6.873662 418.3148 9.605492 
-10.13544      11.81155 
1 1 1 1   13 13 f 241.0321 5.536319 591.6274       27.13610  550.3330       
46.28926  613.2496       33.49533  232.0818 9.808167 245.3070 6.714642 
-13.22527      11.88640 
1 1 1 1   13 14 o 192.4566 5.149159 377.2754       20.15212  401.4727       
29.03983  354.7990       27.98806  198.3646 7.199103 186.4614 7.381295 
11.90324       10.31070 
1 1 1 1   13 15 o 152.3062 5.826431 236.5272       18.04561  264.3798       
26.46944  212.3396       24.66654  160.6076 8.131011 143.8383 8.470391 
16.76935       11.74142 
1 1 1 1   13 16 o 210.8451 5.241136 453.2228       22.47193  409.5641       
30.20268  507.3642       33.63366  200.1639 7.420074 222.7838 7.424021 
-22.61984      10.49636 
1 1 1 1   13 17 o 81.28510 12.26293 69.77688       19.63972  82.87672       
23.37516  38.33014       36.21675  88.44070 13.41852 63.14036 22.44382 
25.30033       26.14922 
1 1 1 1   13 18 o 152.2011 7.724854 237.9807       23.83051  229.1684       
29.06488  256.0557       41.62562  148.9193 9.649595 156.3876 13.21268 
-7.468262      16.36122 
1 1 1 1   13 19 o 115.1183 8.827941 137.0391       20.50850  133.1679       
29.35621  140.7296       28.66301  112.3517 13.09466 115.7557 12.36810 
-3.404053      18.01222 
1 1 1 1   13 20 o 88.44058 11.19623 82.48135       19.68511  55.08943       
27.77834  110.1136       27.89995  70.19038 18.99772 101.5172 13.87840 
-31.32682      23.52707 
1 1 1 1   13 21 o 85.70045 11.51256 78.28040       19.55608  79.39101       
27.71861  77.17970       27.59476  84.31930 16.75606 83.04147 16.91551 
1.277832       23.80967 
1 1 1 1   13 22 o 99.86829 9.884230 105.7940       19.80989  77.21898       
27.85202  135.0495       28.18173  81.73491 17.29654 111.5675 12.64493 
-29.83263      21.42579 
1 1 1 1   14 0  o 1019.843 8.537172 10601.23       177.0511  10669.85       
251.9846  10534.33       248.8214  1021.861 12.12637 1015.382 12.05055 
6.478699       17.09575 
1 1 1 1   14 1  o 60.48175 3.642069 37.34612       4.458550  42.07040       
6.468887  33.07113       6.153607  64.10209 5.002162 56.74633 5.397639 
7.355762       7.359085 
1 1 1 1   14 2  o 350.5443 3.728032 1250.077       26.57504  1214.049       
36.90233  1288.891       38.30233  345.3660 5.254396 355.8493 5.293069 
-10.48331      7.458234 
1 1 1 1   14 3  o 212.8605 3.701126 460.9435       16.02066  458.3838       
19.71848  465.9146       27.47951  212.2384 4.568755 213.8940 6.317697 
-1.655594      7.796590 
1 1 1 1   14 4  o 118.1280 4.162100 141.9734       9.998083  146.0219       
16.41327  139.5848       12.60700  119.5454 6.779568 117.1068 5.293933 
2.438637       8.601644 
1 1 1 1   14 5  o 544.2584 5.123477 3014.357       56.70501  2961.365       
78.87827  3071.035       81.57572  539.2345 7.193302 549.1145 7.305444 
-9.880005      10.25247 
1 1 1 1   14 6  o 415.9714 6.156741 1761.065       52.07938  1761.065       
52.07938  0.000000       0.000000  415.9714 6.156741 ?        ?        
0.000000       6.156741 
1 1 1 1   14 7  o 706.7460 7.299778 5084.369       104.9118  5158.245       
184.1265  5048.855       127.6616  711.0449 12.73409 704.0784 8.916364 
6.966492       15.54537 
1 1 1 1   14 8  o 234.9623 3.972750 561.4922       18.98195  600.7165       
27.25165  524.5275       26.45513  242.9980 5.514914 227.0609 5.729490 
15.93707       7.952442 
1 1 1 1   14 9  f 714.9276 6.456219 5200.990       93.86242  5216.671       
133.2154  5185.530       132.2726  715.7214 9.152906 713.5866 9.115317 
2.134766       12.91761 
1 1 1 1   14 10 o 757.6470 6.805900 5842.640       104.8586  5746.778       
145.9365  5944.953       150.7663  751.0249 9.555602 763.8395 9.706230 
-12.81458      13.62059 
1 1 1 1   14 11 o 533.7617 5.410309 2899.258       58.72471  2899.545       
82.92510  2898.969       83.17403  533.5616 7.642756 533.5058 7.666501 
0.5584717E-01  10.82529 
1 1 1 1   14 12 o 262.6004 5.363266 701.9561       28.64021  735.3184       
35.77023  642.3679       47.80510  268.6929 6.546573 250.9127 9.369150 
17.78026       11.42972 
1 1 1 1   14 13 o 273.5801 6.833919 762.9503       38.01944  825.2856       
54.46512  703.7090       53.09624  284.2112 9.423795 262.3705 9.951700 
21.84067       13.70563 
1 1 1 1   14 14 o 144.7948 7.019577 213.9144       20.66880  228.3449       
25.02043  182.9084       36.67558  149.2719 8.275006 132.5437 13.80993 
16.72823       16.09938 
1 1 1 1   14 15 o 407.5086 5.762010 1693.350       47.74877  1683.391       
58.05765  1714.165       83.93826  406.0229 7.031655 408.7893 10.09739 
-2.766418      12.30453 
1 1 1 1   14 16 o 137.5671 6.554054 193.2598       18.33480  205.2370       
26.04460  181.4924       25.81555  141.1928 9.119717 132.6394 9.636837 
8.553436       13.26793 
1 1 1 1   14 17 o 249.1754 5.064235 633.2184       25.66081  623.0229       
36.14272  643.5816       36.43884  246.7781 7.202161 250.8291 7.143897 
-4.050980      10.14428 
1 1 1 1   14 18 o 172.6596 6.853166 305.0445       24.06209  312.5084       
30.51027  292.7640       39.13581  174.4416 8.600912 167.8013 11.53920 
6.640305       14.39197 
1 1 1 1   14 19 o 208.4048 5.970458 443.9707       25.30269  404.0146       
35.43094  485.5572       36.14662  198.1907 8.791195 217.4414 8.174742 
-19.25066      12.00465 
1 1 1 1   14 20 o 72.17253 13.62007 56.40144       19.25666  45.87685       
27.74347  66.18560       26.74977  64.41724 19.50375 77.14246 17.45910 
-12.72522      26.17664 
1 1 1 1   14 21 o 48.18229 16.38541 23.98717       19.19400  59.87609       
28.35641  -6.360656      26.07563  72.16930 19.04456 37.77991 16.82173 
34.38939       25.40995 
1 1 1 1   14 22 o 68.30247 15.36883 53.29133       20.83050  31.28117       
35.65604  64.69559       25.66582  56.15840 21.80416 74.48069 17.27995 
-18.32229      27.82118 
1 1 1 1   15 0  o 137.8304 2.860160 193.2177       8.016538  193.2744       
11.42978  193.1628       11.24663  137.8285 4.078001 137.7900 4.013778 
0.3843689E-01  5.721932 
1 1 1 1   15 1  f 439.4428 4.259420 1964.876       38.06311  1927.645       
53.08638  2004.268       54.60445  435.1071 5.999783 443.6650 6.052315 
-8.557892      8.522202 
1 1 1 1   15 2  o 464.6968 4.453328 2197.400       42.08291  2233.328       
60.24730  2163.168       58.80728  468.2894 6.326621 460.8810 6.274669 
7.408325       8.910533 
1 1 1 1   15 3  o 161.0156 3.751298 263.7542       12.28290  231.1895       
14.89630  332.9225       21.70991  150.7198 4.860231 180.8262 5.903984 
-30.10641      7.647148 
1 1 1 1   15 4  o 311.8260 3.697106 989.1285       23.44367  999.8513       
33.26129  978.5425       33.04844  313.4376 5.218390 310.0784 5.241168 
3.359253       7.396042 
1 1 1 1   15 5  o 223.8203 4.961715 509.7284       22.58305  509.7284       
22.58305  0.000000       0.000000  223.8203 4.961715 ?        ?        
0.000000       4.961715 
1 1 1 1   15 6  o 389.9939 5.985294 1547.826       47.46733  1547.826       
47.46733  0.000000       0.000000  389.9939 5.985294 ?        ?        
0.000000       5.985294 
1 1 1 1   15 7  o 487.9630 5.618196 2422.552       55.74875  2358.191       
94.69692  2456.688       68.96641  481.1347 9.678716 491.3089 6.902899 
-10.17416      11.88813 
1 1 1 1   15 8  o 666.7549 6.077471 4523.261       82.40253  4628.951       
118.9133  4425.624       114.2935  674.2601 8.672645 659.3009 8.524843 
14.95923       12.16091 
1 1 1 1   15 9  o 378.5683 4.443961 1457.739       34.21101  1437.907       
47.87180  1478.439       48.90820  375.9120 6.262419 381.1711 6.309724 
-5.259033      8.889911 
1 1 1 1   15 10 o 116.9930 7.483836 139.9254       17.71145  145.0681       
20.67059  125.7217       34.35262  119.0319 8.597449 109.7519 15.85143 
9.279976       18.03286 
1 1 1 1   15 11 o 88.14162 10.33979 80.33502       18.18085  85.34972       
21.10330  65.89699       35.80817  90.68040 11.71834 78.70777 21.68099 
11.97263       24.64518 
1 1 1 1   15 12 o 348.3180 5.420490 1235.166       38.39422  1230.256       
46.88398  1245.164       66.89959  347.5150 6.634368 349.2769 9.418944 
-1.761902      11.52091 
1 1 1 1   15 13 o 151.3657 6.926382 233.6117       21.31991  221.0884       
36.67826  240.0021       26.20080  146.2821 12.44845 153.0872 8.449071 
-6.805084      15.04496 
1 1 1 1   15 14 o 169.6479 5.542549 293.3046       19.12096  317.4115       
27.69668  271.3523       26.43000  176.2909 7.725851 162.9754 7.974874 
13.31557       11.10349 
1 1 1 1   15 15 o 221.9864 4.997217 502.1803       22.55828  526.7067       
32.60632  479.6637       31.24185  227.0863 7.060888 216.7040 7.089544 
10.38228       10.00589 
1 1 1 1   15 16 o 79.07079 10.06800 65.25240       15.82141  71.49780       
23.07784  59.71397       21.73242  81.83471 14.39323 74.52444 14.86155 
7.310272       20.68891 
1 1 1 1   15 17 o 131.7149 7.086863 177.9977       18.91211  180.1122       
26.83901  175.9124       26.65348  131.8962 10.08289 130.3286 10.13661 
1.567627       14.29740 
1 1 1 1   15 18 o 193.2748 5.868604 381.6497       23.06542  361.7654       
31.87689  403.5010       33.41640  187.7106 8.350947 198.2572 8.288565 
-10.54657      11.76600 
1 1 1 1   15 19 o 36.35703 15.67865 -0.8355919     21.09071  21.52439       
36.74750  -11.81898      25.75492  55.41425 21.94854 36.29002 16.39124 
19.12423       27.39363 
1 1 1 1   15 20 o 120.7606 9.700858 151.9092       23.62142  203.5088       
40.79057  125.8751       28.97397  137.8858 14.77777 108.6502 13.39752 
29.23562       19.94683 
1 1 1 1   15 21 o 117.0615 9.004919 143.1543       21.27163  106.6731       
30.12910  179.4114       30.03636  98.28938 15.59472 130.0991 11.47069 
-31.80968      19.35903 
1 1 1 1   15 22 o 34.94236 14.64257 4.643663       17.50333  -0.2912080     
23.96391  10.28707       25.62656  37.62387 16.46227 42.90561 17.82643 
-5.281731      24.26495 
1 1 1 1   16 0  o 360.2388 3.761218 1320.247       27.55310  1353.876       
39.65640  1288.863       38.31038  364.6896 5.347348 355.8297 5.294474 
8.859863       7.524998 
1 1 1 1   16 1  o 200.8491 3.023536 410.3220       12.34913  437.1054       
17.89693  385.9804       17.06161  207.2626 4.246255 194.7627 4.307873 
12.49991       6.048839 
1 1 1 1   16 2  o 261.8116 3.297788 697.2540       17.55751  650.1326       
24.02260  751.2900       25.72485  252.7537 4.673810 271.7077 4.655855 
-18.95396      6.597082 
1 1 1 1   16 3  o 191.9454 6.281349 375.1600       24.51783  0.000000       
0.000000  375.1600       24.51783  ?        ?        191.9454 6.281349 
0.000000       6.281349 
1 1 1 1   16 4  o 576.3303 4.743884 3379.770       55.59771  3446.744       
72.86289  3286.426       86.01868  581.8647 6.157905 568.0071 7.447105 
13.85754       9.663290 
1 1 1 1   16 5  o 411.3195 6.068926 1721.972       50.76244  1721.972       
50.76244  0.000000       0.000000  411.3195 6.068926 ?        ?        
0.000000       6.068926 
1 1 1 1   16 6  o 227.1738 4.300319 524.9581       19.86600  513.6094       
23.70918  551.7028       36.39667  224.6828 5.189138 232.7789 7.688942 
-8.096054      9.276152 
1 1 1 1   16 7  o 547.9274 7.453334 3055.936       83.04721  3216.750       
121.8858  2916.589       113.4594  561.8364 10.66822 535.0082 10.42866 
26.82819       14.91871 
1 1 1 1   16 8  o 589.3100 6.435986 3533.875       77.12769  3456.121       
92.55103  3710.616       139.5368  582.6824 7.810844 603.3630 11.37257 
-20.68066      13.79654 
1 1 1 1   16 9  o 294.2340 4.242707 880.5872       25.38560  905.0786       
36.38515  857.3580       35.43502  298.2411 5.999365 290.2720 6.003106 
7.969025       8.487029 
1 1 1 1   16 10 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 1   16 11 o 43.62888 14.21730 18.77361       14.47960  22.20341       
20.33224  15.24420       20.62541  48.85423 16.85706 44.70502 16.76948 
4.149212       23.77763 
1 1 1 1   16 12 o 367.5408 5.416312 1375.408       40.48188  1412.226       
50.75800  1311.056       67.10549  372.2910 6.704564 358.3730 9.208127 
13.91797       11.39038 
1 1 1 1   16 13 o 370.1366 9.588094 1401.051       72.16818  1401.051       
72.16818  0.000000       0.000000  370.1366 9.588094 ?        ?        
0.000000       9.588094 
1 1 1 1   16 14 o 335.6083 4.740633 1147.262       32.35344  1101.327       
44.79909  1197.337       46.77413  328.5275 6.705729 342.5468 6.714820 
-14.01926      9.489764 
1 1 1 1   16 15 o 224.4929 4.935371 513.6105       22.53066  505.4148       
31.90815  521.7601       31.81836  222.4260 7.054474 226.0137 6.922956 
-3.587753      9.883973 
1 1 1 1   16 16 o 191.9329 5.462509 375.7969       21.32029  345.2985       
30.15448  406.2830       30.14840  183.6216 8.075636 199.2859 7.439371 
-15.66432      10.97999 
1 1 1 1   16 17 o 87.05293 11.19162 79.51710       19.35316  58.62807       
35.35651  88.45317       23.12510  73.07068 21.99400 91.48478 12.77922 
-18.41410      25.43707 
1 1 1 1   16 18 o 51.14011 15.86572 27.58845       18.21906  9.971703       
26.23364  44.00183       25.32182  44.91657 18.28156 63.48298 18.48932 
-18.56641      26.00135 
1 1 1 1   16 19 o 217.6567 5.873501 484.3916       25.99684  496.3286       
37.86425  473.7467       35.75640  219.6594 8.476726 214.6867 8.190250 
4.972733       11.78707 
1 1 1 1   16 20 o 86.81503 11.63040 80.03854       20.01637  83.02799       
28.18315  76.99577       28.43336  86.69334 16.59085 83.11629 17.38152 
3.577057       24.02860 
1 1 1 1   16 21 o 64.76315 14.63851 46.86109       18.82541  79.23863       
26.95134  16.01397       26.30667  83.92469 16.38001 46.61058 18.53604 
37.31411       24.73640 
1 1 1 1   16 22 o 41.80763 15.58397 16.56549       17.75736  22.07823       
24.60681  10.57490       25.65113  47.82724 18.23059 42.87559 17.82621 
4.951653       25.49761 
1 1 1 1   17 0  o 210.5447 3.045623 450.8971       13.03983  467.7543       
18.75182  435.1127       18.14533  214.4032 4.300913 206.7865 4.315106 
7.616730       6.092454 
1 1 1 1   17 1  o 232.6074 3.158817 550.3587       14.94168  545.7201       
21.01715  555.0989       21.24617  231.5780 4.462981 233.5591 4.473345 
-1.981049      6.318942 
1 1 1 1   17 2  o 522.1726 5.618683 2775.720       59.66231  2783.165       
73.14199  2760.918       103.1385  522.7143 6.880991 520.1455 9.750900 
2.568787       11.93432 
1 1 1 1   17 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 1   17 4  o 395.5664 4.789237 1592.078       38.52452  1592.078       
38.52452  0.000000       0.000000  395.5664 4.789237 ?        ?        
0.000000       4.789237 
1 1 1 1   17 5  o 259.2144 5.135780 683.6623       27.07179  683.6623       
27.07179  0.000000       0.000000  259.2144 5.135780 ?        ?        
0.000000       5.135780 
1 1 1 1   17 6  o 280.9686 3.815016 802.9271       21.79744  821.9628       
31.12241  784.5990       30.53836  284.2345 5.384497 277.6984 5.407804 
6.536102       7.631327 
1 1 1 1   17 7  o 556.6395 6.142169 3152.754       69.52600  3232.756       
122.9477  3115.143       84.29912  563.2308 10.73452 553.2095 7.493452 
10.02124       13.09129 
1 1 1 1   17 8  o 292.4824 4.116453 870.0944       24.48355  921.6511       
35.38910  822.7620       33.90828  300.9741 5.782146 284.3667 5.863751 
16.60733       8.235095 
1 1 1 1   17 9  o 372.7133 4.495442 1413.096       34.07208  1390.314       
47.53572  1437.167       48.86203  369.6129 6.324432 375.7854 6.394111 
-6.172485      8.993503 
1 1 1 1   17 10 o 256.4583 4.540832 669.1318       23.68119  637.1352       
33.10761  702.6517       33.88651  250.1737 6.507809 262.7296 6.342586 
-12.55595      9.087353 
1 1 1 1   17 11 o 364.5806 4.695032 1352.606       34.80836  1369.212       
49.22422  1335.997       49.22869  366.6622 6.601783 362.1801 6.684089 
4.482117       9.394711 
1 1 1 1   17 12 f 215.3445 5.514876 472.2464       24.15021  489.0669       
30.32895  443.1021       39.92208  219.0562 6.808484 208.2811 9.425661 
10.77513       11.62749 
1 1 1 1   17 13 o 246.2108 5.553422 617.6498       27.80477  664.7060       
49.43977  595.8812       33.62663  254.8998 9.537959 241.7027 6.841486 
13.19716       11.73791 
1 1 1 1   17 14 o 57.34915 14.62217 35.33630       17.10470  53.84666       
30.83052  27.10530       20.55889  70.67911 20.34888 51.86751 16.94289 
18.81160       26.47902 
1 1 1 1   17 15 o 146.1818 7.130146 218.3790       21.19547  283.5773       
37.80071  188.4802       25.59814  165.5801 11.29381 135.2444 9.365242 
30.33569       14.67167 
1 1 1 1   17 16 o 158.9562 6.107117 258.0205       19.74082  257.2449       
27.56978  258.8364       28.27922  158.1534 8.604794 158.6015 8.802747 
-0.4480896     12.30979 
1 1 1 1   17 17 o 34.87786 14.38019 4.289297       16.49564  17.40071       
23.45417  -8.544513      23.20454  46.93880 17.82076 35.32970 15.78948 
11.60910       23.80939 
1 1 1 1   17 18 o 144.4172 6.835569 213.5499       20.07451  203.8030       
28.78491  222.7792       28.01023  140.1406 10.16991 146.7518 9.436052 
-6.611176      13.87322 
1 1 1 1   17 19 o 98.38810 10.14655 101.1544       20.00941  92.45890       
28.04192  110.1743       28.56035  92.39159 15.47242 101.4749 14.23195 
-9.083336      21.02247 
1 1 1 1   17 20 o 45.10238 16.22669 19.16987       18.98544  37.95951       
28.43774  4.061023       25.50066  59.46669 19.94581 41.39870 17.52759 
18.06799       26.55281 
1 1 1 1   17 21 o 70.19180 13.99961 54.70420       19.28194  45.90943       
26.50455  64.59187       28.10317  63.01939 19.05944 74.46064 18.61117 
-11.44125      26.63903 
1 1 1 1   17 22 o 72.76025 13.10743 59.29943       18.68049  53.57868       
25.59725  65.81785       27.32358  66.56232 18.32912 73.85262 18.28953 
-7.290291      25.89331 
1 1 1 1   18 0  o 330.1170 3.614062 1108.613       24.26134  1101.797       
34.18418  1115.530       34.43867  329.0165 5.109238 331.0602 5.115499 
-2.043701      7.229982 
1 1 1 1   18 1  o 412.9067 4.123378 1734.626       34.62234  1733.281       
48.96997  1735.970       48.95679  412.6129 5.836274 412.9334 5.830174 
-0.3204956     8.249426 
1 1 1 1   18 2  o 492.2158 4.662121 2465.302       46.66492  2512.355       
66.97493  2420.907       65.05527  496.6935 6.630898 487.5781 6.561254 
9.115387       9.328390 
1 1 1 1   18 3  f 426.0258 4.910537 1846.862       42.54184  1835.679       
51.98335  1869.540       74.02631  424.6502 6.019793 428.2980 8.499408 
-3.647797      10.41527 
1 1 1 1   18 4  o 116.3579 4.410933 137.7375       10.43705  135.8740       
13.08378  140.9985       17.30732  115.5492 5.568201 117.4464 7.282581 
-1.897285      9.167379 
1 1 1 1   18 5  o 366.9460 5.758327 1370.184       42.96847  1370.184       
42.96847  0.000000       0.000000  366.9460 5.758327 ?        ?        
0.000000       5.758327 
1 1 1 1   18 6  o 358.3112 4.110022 1305.861       29.94718  1326.329       
42.65726  1285.969       42.05263  361.0442 5.810067 355.5082 5.816907 
5.536041       8.221513 
1 1 1 1   18 7  o 448.2903 4.677341 2044.223       42.63927  2057.904       
60.61445  2030.822       59.99245  449.6896 6.628448 446.7223 6.604007 
2.967316       9.356775 
1 1 1 1   18 8  o 181.5358 4.391848 335.2133       16.21291  340.7030       
22.95333  329.7473       22.90379  182.9803 6.168645 180.0123 6.256822 
2.968063       8.786353 
1 1 1 1   18 9  o 330.3436 4.391319 1110.101       29.49934  1111.028       
41.45126  1109.150       41.99071  330.4040 6.169374 330.1203 6.255033 
0.2836914      8.785591 
1 1 1 1   18 10 o 71.82342 11.83628 54.05730       16.68521  34.47291       
27.94482  64.90713       20.79973  59.44015 19.76962 78.58050 13.50305 
-19.14035      23.94097 
1 1 1 1   18 11 o 124.5311 7.619961 158.6528       19.20381  149.5637       
33.50938  163.0978       23.43374  119.9982 13.99511 126.0959 9.202337 
-6.097717      16.74951 
1 1 1 1   18 12 o 281.4840 5.446454 806.9668       31.17590  842.5145       
55.21686  790.3318       37.77254  287.1339 9.456619 278.4512 6.670764 
8.682617       11.57267 
1 1 1 1   18 13 o 233.2500 5.603770 554.4468       26.57991  538.3095       
45.99660  562.5371       32.56818  229.2806 9.865226 234.8164 6.820461 
-5.535797      11.99339 
1 1 1 1   18 14 o 169.9699 5.515043 294.5451       19.06217  292.4052       
27.05257  296.6554       26.86437  169.1129 7.866481 170.3507 7.754991 
-1.237885      11.04633 
1 1 1 1   18 15 o 40.12795 14.39637 14.29576       14.93404  58.94688       
21.27020  -29.11547      20.97280  74.08638 14.63739 27.39707 13.13059 
46.68931       19.66381 
1 1 1 1   18 16 o 134.3638 7.660206 185.4667       20.84354  195.6924       
35.32099  180.0031       25.81828  136.7936 12.84797 131.9566 9.689297 
4.836945       16.09201 
1 1 1 1   18 17 o 93.55846 9.478147 91.01299       17.78373  80.08880       
24.97449  102.2497       25.32923  86.33299 14.75559 98.32932 12.98505 
-11.99633      19.65551 
1 1 1 1   18 18 o 150.5533 6.948143 232.1964       21.27210  243.1373       
30.07445  221.2428       30.09213  153.2246 9.702093 145.9934 10.20014 
7.231186       14.07741 
1 1 1 1   18 19 o 186.9115 6.510821 357.9272       24.74703  377.6596       
35.24439  338.7379       34.75589  191.3177 9.059065 180.8296 9.484729 
10.48813       13.11590 
1 1 1 1   18 20 o 40.99319 16.04767 12.08348       19.43700  6.036932       
26.62370  18.98438       28.44250  42.84835 18.01249 49.50466 19.40341 
-6.656311      26.47531 
1 1 1 1   18 21 o 125.3995 12.40773 169.4478       31.22506  169.4478       
31.22506  0.000000       0.000000  125.3995 12.40773 ?        ?        
0.000000       12.40773 
1 1 1 1   18 22 o 34.88156 14.62973 5.133247       17.49727  26.93688       
24.15470  -18.93957      25.38054  49.87466 18.24924 32.52930 15.24574 
17.34536       23.77956 
1 1 1 1   19 0  o 167.5363 3.030143 285.4856       10.32341  310.1744       
14.97599  263.1321       14.25008  174.6030 4.217861 160.8149 4.357521 
13.78812       6.064515 
1 1 1 1   19 1  o 52.87027 4.869334 28.68632       5.176355  22.75365       
7.385246  34.41531       7.257371  46.58535 8.089318 57.79950 6.275345 
-11.21415      10.23802 
1 1 1 1   19 2  o 237.5457 3.756813 574.0098       18.14756  579.5409       
22.53269  563.7984       30.61597  238.6579 4.642861 235.3185 6.397945 
3.339401       7.905053 
1 1 1 1   19 3  o 559.8247 5.941840 3189.961       67.64325  3166.634       
82.44233  3238.016       118.3281  557.6274 7.270340 563.4236 10.32765 
-5.796204      12.63005 
1 1 1 1   19 4  o 273.9561 3.579990 763.3640       19.94409  747.6407       
22.94322  811.9879       40.34656  271.1038 4.161668 282.4091 7.025487 
-11.30533      8.165595 
1 1 1 1   19 5  o 439.7183 6.337270 1967.760       56.66673  1967.760       
56.66673  0.000000       0.000000  439.7183 6.337270 ?        ?        
0.000000       6.337270 
1 1 1 1   19 6  o 582.2399 5.451016 3448.996       64.54028  3537.959       
93.13332  3366.799       89.52126  589.5142 7.768898 575.0881 7.654916 
14.42609       10.90658 
1 1 1 1   19 7  o 512.4235 5.860901 2671.681       61.07239  2650.477       
105.2429  2682.448       74.99035  510.0285 10.14722 513.3645 7.183368 
-3.335999      12.43249 
1 1 1 1   19 8  o 267.0883 4.863534 725.7095       26.41546  796.4712       
47.81091  694.6184       31.69169  279.6588 8.407118 261.2692 5.964936 
18.38956       10.30825 
1 1 1 1   19 9  o 249.0340 5.139744 631.0347       26.02864  674.1464       
46.42999  611.2765       31.43225  257.2157 8.876662 245.0593 6.307436 
12.15636       10.88939 
1 1 1 1   19 10 o 139.4926 6.861279 198.1694       19.46290  169.9227       
32.27210  214.3158       24.39953  128.3234 12.52692 144.7704 8.323040 
-16.44699      15.03984 
1 1 1 1   19 11 f 96.24866 8.228263 95.17396       15.94998  67.35915       
21.80171  127.2053       23.39593  79.90467 13.92344 111.0808 10.48128 
-31.17616      17.42755 
1 1 1 1   19 12 o 281.0111 4.648956 803.9897       26.56625  843.3500       
38.33859  767.6334       36.84653  287.6172 6.554957 274.3969 6.603374 
13.22025       9.304408 
1 1 1 1   19 13 o 93.34668 9.774198 90.21570       18.27864  124.9642       
31.57391  72.69955       22.41712  109.0296 14.60801 82.88270 13.78455 
26.14690       20.08501 
1 1 1 1   19 14 o 109.8097 7.361825 123.7845       16.34393  126.0599       
22.91656  121.4290       23.31622  110.3152 10.33607 108.1720 10.74172 
2.143257       14.90701 
1 1 1 1   19 15 o 169.4186 5.670580 292.8811       19.53620  269.9201       
27.17394  317.4449       28.10635  162.1111 8.270566 176.0934 7.848922 
-13.98225      11.40210 
1 1 1 1   19 16 o 66.20467 14.10974 47.35111       18.41502  61.09423       
31.11675  39.94342       22.84510  74.32552 20.10272 60.74259 17.52471 
13.58292       26.66899 
1 1 1 1   19 17 o 102.2863 8.824946 108.3709       18.17643  90.80226       
25.54918  126.3758       25.86443  92.20366 14.07216 109.7804 11.76935 
-17.57674      18.34512 
1 1 1 1   19 18 o 99.84580 9.708200 103.8342       19.46226  105.5732       
27.40913  102.0659       27.63990  99.47370 13.93209 97.64367 14.34794 
1.830032       19.99916 
1 1 1 1   19 19 o 218.7063 6.008801 489.6987       26.72395  529.1057       
37.62944  449.5974       37.95945  226.6804 8.163236 208.6931 8.944592 
17.98738       12.10967 
1 1 1 1   19 20 o 31.39957 14.15534 -7.984261      19.10171  -22.78778      
27.18261  6.457365       26.84829  33.89545 15.85147 43.03801 18.09006 
-9.142555      24.05243 
1 1 1 1   19 21 o 118.0502 12.71583 151.3610       30.04384  151.3610       
30.04384  0.000000       0.000000  118.0502 12.71583 ?        ?        
0.000000       12.71583 
1 1 1 1   19 22 o 94.19373 9.629726 95.26420       18.18600  61.08967       
25.69364  129.5734       25.74421  70.75584 17.85649 108.5977 11.84989 
-37.84187      21.43068 
1 1 1 1   20 0  f 344.6811 5.277084 1209.101       36.98818  1209.101       
36.98818  0.000000       0.000000  344.6811 5.277084 ?        ?        
0.000000       5.277084 
1 1 1 1   20 1  o 169.4413 3.109398 292.0087       10.71389  277.9989       
15.05050  306.4018       15.25502  165.2990 4.477435 173.5417 4.322722 
-8.242722      6.223612 
1 1 1 1   20 2  o 209.5539 3.677219 446.6750       15.66992  471.4188       
19.76590  404.8150       25.70887  215.2574 4.515512 199.4124 6.339856 
15.84499       7.783548 
1 1 1 1   20 3  o 176.2187 6.421278 316.1007       23.01043  0.000000       
0.000000  316.1007       23.01043  ?        ?        176.2187 6.421278 
0.000000       6.421278 
1 1 1 1   20 4  o 302.5516 7.291924 931.9474       44.86349  0.000000       
0.000000  931.9474       44.86349  ?        ?        302.5516 7.291924 
0.000000       7.291924 
1 1 1 1   20 5  o 299.9138 5.434090 915.1603       33.14170  915.1603       
33.14170  0.000000       0.000000  299.9138 5.434090 ?        ?        
0.000000       5.434090 
1 1 1 1   20 6  o 51.01226 9.567389 27.37379       9.560154  37.37362       
13.46027  17.19418       13.58073  59.53826 11.53408 41.96904 13.77345 
17.56922       17.96505 
1 1 1 1   20 7  f 468.7632 4.819031 2235.352       45.93721  2257.784       
65.33425  2213.420       64.60199  470.9911 6.821451 466.3415 6.812248 
4.649628       9.640483 
1 1 1 1   20 8  o 729.4074 6.565964 5415.338       97.39129  5392.519       
137.1269  5438.565       138.3453  727.4836 9.269324 730.5759 9.312101 
-3.092224      13.13909 
1 1 1 1   20 9  o 144.6653 7.875319 213.8199       23.08050  213.8199       
23.08050  0.000000       0.000000  144.6653 7.875319 ?        ?        
0.000000       7.875319 
1 1 1 1   20 10 o 288.5529 8.840685 849.1665       51.87556  849.1665       
51.87556  0.000000       0.000000  288.5529 8.840685 ?        ?        
0.000000       8.840685 
1 1 1 1   20 11 o 263.7127 4.685387 707.9100       25.12627  706.1855       
35.09332  709.7240       35.99153  263.2480 6.555532 263.8929 6.706889 
-0.6449890     9.378559 
1 1 1 1   20 12 o 118.9905 9.929490 145.9143       23.80704  145.9143       
23.80704  0.000000       0.000000  118.9905 9.929490 ?        ?        
0.000000       9.929490 
1 1 1 1   20 13 o 247.8429 9.785302 629.6526       49.31762  629.6526       
49.31762  0.000000       0.000000  247.8429 9.785302 ?        ?        
0.000000       9.785302 
1 1 1 1   20 14 o 258.1944 4.770725 679.3925       25.04856  646.4818       
34.75208  714.9775       36.13649  251.5644 6.793290 264.5696 6.716677 
-13.00523      9.553143 
1 1 1 1   20 15 o 56.97441 13.59274 35.03649       15.52847  56.95960       
21.63549  11.74440       22.30078  72.60002 15.14477 43.36698 17.12314 
29.23304       22.85970 
1 1 1 1   20 16 o 44.26723 16.00210 17.54378       18.49128  12.21576       
29.69346  20.91889       23.63316  48.10271 19.49713 48.95684 18.03025 
-0.8541336     26.55613 
1 1 1 1   20 17 o 160.9282 6.606706 265.0985       21.62064  305.7418       
30.40119  223.5058       30.75427  172.1867 8.710718 146.6983 10.37623 
25.48839       13.54780 
1 1 1 1   20 18 o 51.31551 16.19549 27.82117       18.89624  35.49691       
26.45142  19.82151       27.00378  58.13983 19.22919 49.78892 19.06940 
8.350914       27.08142 
1 1 1 1   20 19 f 115.2022 9.290333 138.1543       21.57919  143.5915       
30.73970  132.8714       30.30022  116.1050 13.25728 111.4839 13.65058 
4.621086       19.02877 
1 1 1 1   20 20 o 230.1388 8.668601 549.5621       40.56863  549.5621       
40.56863  0.000000       0.000000  230.1388 8.668601 ?        ?        
0.000000       8.668601 
1 1 1 1   20 21 o 73.88495 13.09245 60.63735       18.95098  96.41868       
27.25779  27.15926       26.36591  92.50325 15.00451 51.28745 19.01465 
41.21580       24.22173 
1 1 1 1   20 22 o 30.98464 13.72451 -2.221680      17.13712  -30.31045      
24.74101  23.68341       23.75985  29.17261 14.05350 47.46736 17.95683 
-18.29475      22.80238 
1 1 1 1   21 0  o 206.5155 3.676364 433.8168       15.43913  495.8355       
28.98778  409.2569       18.24175  220.6893 6.459250 200.5647 4.472605 
20.12459       7.856596 
1 1 1 1   21 1  o 504.4445 5.500097 2589.644       56.42027  2554.178       
97.16453  2607.685       69.30038  500.5246 9.546208 506.0849 6.733809 
-5.560272      11.68222 
1 1 1 1   21 2  o 638.4401 6.577931 4149.474       85.40060  4228.342       
106.4734  4007.212       142.9990  644.2716 8.126819 626.6691 11.22130 
17.60248       13.85507 
1 1 1 1   21 3  o 231.8883 3.952014 546.9578       18.63583  572.2668       
23.66613  505.6512       30.23424  237.1669 4.907064 222.8775 6.670855 
14.28938       8.281279 
1 1 1 1   21 4  o 387.5839 4.780128 1528.212       37.67529  1550.370       
46.94068  1488.094       63.16086  390.3287 5.913811 382.2713 8.125030 
8.057465       10.04934 
1 1 1 1   21 5  o 400.0450 4.949747 1628.056       40.26643  1628.056       
40.26643  0.000000       0.000000  400.0450 4.949747 ?        ?        
0.000000       4.949747 
1 1 1 1   21 6  o 78.00474 7.218689 62.46564       11.32084  53.32790       
14.32416  77.67082       18.47760  71.64009 10.11374 86.63979 10.71612 
-14.99970      14.73509 
1 1 1 1   21 7  o 510.5274 5.094206 2651.682       52.88676  2766.211       
76.85302  2548.658       72.89056  521.2750 7.250077 500.3642 7.163637 
20.91080       10.19222 
1 1 1 1   21 8  o 431.4952 6.661237 1895.406       58.44970  1895.406       
58.44970  0.000000       0.000000  431.4952 6.661237 ?        ?        
0.000000       6.661237 
1 1 1 1   21 9  o 71.75082 10.04654 53.53824       14.25674  63.90670       
19.81313  42.40576       20.53013  78.03876 12.93831 63.09809 15.98241 
14.94066       20.56301 
1 1 1 1   21 10 o 56.78582 13.92079 34.37506       15.95102  12.05126       
25.82014  48.15318       20.28475  46.37654 18.38879 67.16645 15.20530 
-20.78991      23.86103 
1 1 1 1   21 11 o 248.1015 4.733860 626.6776       23.88341  621.1140       
33.87102  632.1794       33.68225  246.8325 6.747992 249.0308 6.651146 
-2.198364      9.474869 
1 1 1 1   21 12 o 184.7709 5.221211 347.8333       19.61807  403.1230       
28.43855  297.6324       27.09824  198.7501 7.036369 170.7043 7.806302 
28.04587       10.50946 
1 1 1 1   21 13 o 215.4995 5.721533 473.6077       25.07322  512.4054       
44.80762  455.9211       30.25317  223.4933 9.859072 211.2743 7.041624 
12.21899       12.11552 
1 1 1 1   21 14 o 184.5394 5.317841 347.3183       19.95610  363.9146       
28.47855  331.3063       27.97264  188.6237 7.424549 179.9426 7.644481 
8.681137       10.65655 
1 1 1 1   21 15 o 53.08978 13.99881 30.40842       15.32890  28.76757       
21.56115  32.08543       21.79745  53.00970 17.35267 55.28543 17.38729 
-2.275734      24.56487 
1 1 1 1   21 16 o 107.3601 9.250918 119.4843       19.99945  191.6624       
34.29004  82.27285       24.62086  135.2049 12.61745 87.63404 14.30985 
47.57088       19.07805 
1 1 1 1   21 17 o 55.06273 15.52895 32.93930       18.14053  72.49443       
25.22927  -9.400194      26.10214  81.56274 15.78169 37.31013 16.70527 
44.25261       22.98104 
1 1 1 1   21 18 o 131.5523 7.920556 178.5556       21.08997  162.3055       
29.82812  194.8006       29.82332  124.2389 11.95394 136.5911 10.82565 
-12.35219      16.12734 
1 1 1 1   21 19 o 110.7946 9.329144 128.0376       20.82338  149.8782       
30.41472  108.7669       28.56926  118.6838 12.80488 100.2867 14.42395 
18.39713       19.28770 
1 1 1 1   21 20 o 50.18765 16.18321 27.39000       18.79029  32.67686       
27.77547  22.92860       25.51516  55.55570 19.66489 49.59947 18.64260 
5.956230       27.09713 
1 1 1 1   21 21 o 111.0533 10.39347 132.1463       23.19866  88.39425       
40.58685  153.3762       28.27223  82.53448 23.21081 118.8218 11.85914 
-36.28734      26.06494 
1 1 1 1   21 22 o 66.27280 13.87589 50.98305       18.10062  67.16325       
26.51480  36.86176       24.77042  73.54592 17.89827 54.84718 18.61425 
18.69874       25.82322 
1 1 1 1   22 0  o 164.4415 3.138537 275.0211       10.49518  272.9763       
14.86844  277.0517       14.81656  163.8055 4.463602 165.0247 4.415165 
-1.219223      6.278330 
1 1 1 1   22 1  o 211.2012 3.683744 453.7086       15.82112  457.4992       
19.69281  446.8082       26.57025  212.0604 4.566640 209.5159 6.236304 
2.544510       7.729534 
1 1 1 1   22 2  o 143.0295 4.854559 208.1321       14.11974  0.000000       
0.000000  208.1321       14.11974  ?        ?        143.0295 4.854559 
0.000000       4.854559 
1 1 1 1   22 3  o 288.5244 4.213782 846.7837       24.72328  841.6243       
30.72227  856.2650       41.64729  287.6100 5.252885 290.0229 7.061599 
-2.412933      8.801079 
1 1 1 1   22 4  f 94.18771 5.468186 90.56573       10.42835  82.35712       
13.32985  103.5156       16.74261  89.64180 7.377964 100.4842 8.266914 
-10.84239      11.08044 
1 1 1 1   22 5  o 341.1187 5.719576 1183.982       39.67536  1183.982       
39.67536  0.000000       0.000000  341.1187 5.719576 ?        ?        
0.000000       5.719576 
1 1 1 1   22 6  o 464.0768 4.756560 2190.913       44.88842  2318.486       
65.89214  2080.438       61.31800  477.2693 6.789202 452.1125 6.669450 
25.15674       9.517081 
1 1 1 1   22 7  o 533.3249 5.245239 2894.090       56.88642  2881.811       
80.11780  2906.574       80.78545  532.0058 7.405617 534.2836 7.435496 
-2.277771      10.49427 
1 1 1 1   22 8  o 230.1734 6.132013 539.3027       28.70183  539.3027       
28.70183  0.000000       0.000000  230.1734 6.132013 ?        ?        
0.000000       6.132013 
1 1 1 1   22 9  o 332.3145 4.531339 1123.726       30.62156  1100.752       
42.40570  1148.759       44.26496  328.7764 6.342671 335.8578 6.481165 
-7.081482      9.068351 
1 1 1 1   22 10 o 321.3972 6.126505 1052.243       40.04113  1071.307       
57.54385  1034.348       55.75206  323.9838 8.734221 318.3629 8.611662 
5.620819       12.26570 
1 1 1 1   22 11 o 265.3840 5.263299 717.3837       28.40431  692.9520       
34.98364  764.6481       48.65811  260.6920 6.599118 273.5547 8.747011 
-12.86264      10.95712 
1 1 1 1   22 12 o 188.6731 5.830219 362.9507       22.36899  356.6784       
28.11176  373.7770       36.93265  186.8777 7.397400 191.0273 9.507442 
-4.149567      12.04628 
1 1 1 1   22 13 o 101.1878 10.70799 106.4247       21.69895  113.2432       
32.37804  100.8654       29.23586  103.1246 15.95479 97.39352 15.26312 
5.731049       22.07981 
1 1 1 1   22 14 o 202.1143 5.705875 416.9107       23.45150  430.4483       
29.40791  393.2637       38.86703  205.1677 7.048612 195.5928 9.771857 
9.574951       12.04874 
1 1 1 1   22 15 o 156.5321 6.527036 250.5393       20.77642  241.2944       
26.09915  266.5334       34.32866  153.1078 8.414866 160.3852 10.58498 
-7.277420      13.52227 
1 1 1 1   22 16 o 111.2793 9.979630 128.7971       22.34294  161.9365       
33.92860  103.4215       29.68940  123.7444 13.71367 98.04222 15.39897 
25.70214       20.62021 
1 1 1 1   22 17 o 215.7708 6.448866 476.7184       28.29616  465.6199       
35.51762  496.0017       46.81679  212.7823 8.208369 218.8207 10.52112 
-6.038391      13.34433 
1 1 1 1   22 18 o 179.8487 7.031363 331.9606       25.71569  344.5201       
33.10501  312.8518       40.83425  182.7063 8.910228 172.8241 11.68771 
9.882248       14.69676 
1 1 1 1   22 19 o 141.4312 8.600466 207.6717       24.61793  151.1542       
31.37136  298.2567       39.71643  118.8549 13.20281 168.2012 11.68403 
-49.34621      17.63039 
1 1 1 1   22 20 o 132.6569 8.898105 184.2754       23.86468  194.6326       
31.39125  170.0921       36.73468  135.0415 11.54202 124.3009 14.82533 
10.74058       18.78853 
1 1 1 1   22 21 o 51.62921 18.39648 29.82895       24.34648  14.42863       
33.91519  46.20336       34.97134  47.93367 20.24951 61.44655 22.03183 
-13.51289      29.92397 
1 1 1 1   23 0  o 280.8073 3.969001 802.0787       22.66423  809.6282       
28.19742  788.2993       38.09495  282.0948 4.915446 278.2774 6.731907 
3.817413       8.335478 
1 1 1 1   23 1  o 290.2137 4.028058 856.7167       23.77196  881.6600       
29.80342  813.0955       39.41280  294.3761 4.978658 282.6178 6.857823 
11.75827       8.474478 
1 1 1 1   23 2  o 492.2784 4.702761 2465.343       47.07768  2509.743       
67.55608  2423.424       65.64101  496.5543 6.690310 487.9465 6.615332 
8.607849       9.408659 
1 1 1 1   23 3  o 614.4645 6.446426 3842.693       80.55032  3828.804       
98.75312  3870.304       139.2370  613.2019 7.919466 616.0802 11.11389 
-2.878296      13.64685 
1 1 1 1   23 4  o 270.5078 4.292749 744.3246       23.61385  724.4492       
29.26108  781.4407       39.98658  266.8395 5.392484 277.0700 7.096977 
-10.23050      8.913246 
1 1 1 1   23 5  o 296.0027 3.881605 891.1756       23.36460  892.1533       
27.26781  888.4749       45.31936  296.1465 4.527852 295.4117 7.544052 
0.7347717      8.798532 
1 1 1 1   23 6  o 322.3170 4.692330 1056.878       30.75553  1114.573       
39.32862  966.0490       49.34614  330.9480 5.843830 308.0029 7.878562 
22.94510       9.809286 
1 1 1 1   23 7  o 393.1099 4.521902 1572.188       36.14819  1546.887       
50.51223  1598.748       51.75286  389.8209 6.372064 396.2980 6.421862 
-6.477173      9.046741 
1 1 1 1   23 8  o 152.7965 5.194853 237.6035       16.14128  241.8195       
22.75297  233.3319       22.90219  154.0777 7.261846 151.3427 7.441566 
2.735016       10.39766 
1 1 1 1   23 9  f 98.31001 7.511847 99.08131       14.90377  111.7382       
20.80532  85.74080       21.35985  104.1391 9.945381 90.79930 11.85078 
13.33981       15.47099 
1 1 1 1   23 10 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 1   23 11 o 208.3447 5.556457 442.3401       23.54137  449.6499       
29.88450  430.3862       38.21643  209.9216 7.000634 205.1173 9.162127 
4.804306       11.53054 
1 1 1 1   23 12 o 138.3042 6.090775 195.1352       17.13008  188.8303       
23.84755  201.8564       24.62220  135.5450 8.697762 140.1629 8.681303 
-4.617966      12.28886 
1 1 1 1   23 13 o 176.1724 6.383502 316.9487       22.86906  272.1909       
38.69078  340.9820       28.35178  161.9945 11.82681 182.5587 7.637064 
-20.56416      14.07828 
1 1 1 1   23 14 o 70.37244 10.86578 52.22393       15.04867  68.67918       
21.28870  35.78927       21.27538  80.26285 13.52394 57.74823 16.98470 
22.51462       21.71122 
1 1 1 1   23 15 o 52.38571 14.27254 29.64640       15.61778  63.85001       
22.10725  -4.431427      22.06656  76.90058 14.67224 35.81610 15.73095 
41.08448       21.51133 
1 1 1 1   23 16 o 232.2342 5.378084 550.9387       25.39833  487.2744       
35.40205  618.4595       36.45857  217.7914 7.993486 245.5719 7.300786 
-27.78044      10.82577 
1 1 1 1   23 17 o 43.11421 17.74673 8.151617       25.07203  8.151617       
25.07203  0.000000       0.000000  43.11421 17.74673 ?        ?        
0.000000       17.74673 
1 1 1 1   23 18 o 200.1593 6.161398 410.4854       25.07878  399.1453       
35.94212  421.2447       35.00976  196.5297 8.993404 202.0638 8.520186 
-5.534164      12.38850 
1 1 1 1   23 19 o 167.8076 6.882653 289.8193       23.48653  318.5448       
34.50783  265.0287       32.05732  174.6134 9.757297 159.1367 9.956241 
15.47673       13.94029 
1 1 1 1   23 20 o 83.70023 11.57959 75.81762       19.18137  114.9777       
28.60337  43.81611       25.85716  101.9906 14.17452 61.22194 18.88589 
40.76862       23.61343 
1 1 1 1   23 21 o 32.28062 14.40191 -3.605884      19.21632  7.357277       
34.48178  -8.544521      23.14331  45.42039 19.81368 33.64975 15.33213 
11.77064       25.05307 
1 1 1 1   24 0  o 57.72913 6.003961 34.28193       6.945185  39.91682       
8.940909  25.70889       11.02825  62.20217 7.201662 49.23082 11.26035 
12.97135       13.36635 
1 1 1 1   24 1  o 310.4081 5.035175 980.2920       31.78330  1036.522       
46.48840  930.9414       43.55192  319.0856 7.164500 302.4026 7.082237 
16.68307       10.07413 
1 1 1 1   24 2  o 460.6239 5.185476 2158.699       48.57206  2151.489       
83.54664  2162.380       59.69763  459.5642 8.939873 460.9415 6.368833 
-1.377289      10.97649 
1 1 1 1   24 3  o 366.0630 5.572652 1363.478       41.48291  1483.053       
61.88985  1265.935       55.89804  381.6323 7.974856 352.6036 7.795758 
29.02869       11.15223 
1 1 1 1   24 4  o 333.5087 5.446775 1131.720       36.94010  1094.227       
51.27525  1172.179       53.26386  327.8238 7.691586 339.2981 7.719687 
-11.47433      10.89743 
1 1 1 1   24 5  o 400.8743 4.967924 1634.946       40.49809  1589.945       
48.96838  1732.338       72.03957  395.2582 6.092330 412.3908 8.590347 
-17.13263      10.53141 
1 1 1 1   24 6  o 463.4541 5.515711 2185.753       51.98280  2191.943       
64.50320  2174.283       87.80008  464.0051 6.836080 461.8722 9.348063 
2.132874       11.58094 
1 1 1 1   24 7  o 160.5952 4.868478 262.4342       15.89927  249.8054       
21.97845  276.2982       23.02821  156.6229 6.900656 164.7198 6.874845 
-8.096939      9.740767 
1 1 1 1   24 8  o 379.0558 4.554724 1462.116       35.10886  1461.480       
49.42279  1462.763       49.88327  378.8216 6.415656 378.9825 6.472683 
-0.1608582     9.113521 
1 1 1 1   24 9  o 109.6762 6.830191 123.0614       15.15781  96.55273       
20.85853  152.7256       22.06509  96.57530 10.80624 121.9905 8.957272 
-25.41516      14.03594 
1 1 1 1   24 10 o 91.58018 8.139565 86.30463       15.00041  81.18872       
20.50101  92.19949       22.00649  88.21964 11.71759 94.09882 11.75703 
-5.879181      16.59909 
1 1 1 1   24 11 o 237.6671 5.287355 575.6215       25.55401  531.7698       
31.21176  664.7823       44.50535  228.2767 6.723654 254.9431 8.584549 
-26.66649      10.90422 
1 1 1 1   24 12 o 259.2952 4.748896 685.1270       25.04024  659.6429       
35.07373  711.6192       35.76076  254.1346 6.786828 263.9787 6.661722 
-9.844101      9.509973 
1 1 1 1   24 13 o 301.0479 5.539646 924.7571       33.91322  913.4132       
59.11564  930.3219       41.40392  298.0939 9.752093 301.6947 6.748733 
-3.600800      11.85954 
1 1 1 1   24 14 o 134.3463 6.426174 184.5141       17.55616  172.5870       
24.06525  198.0833       25.66854  129.2463 9.216720 138.5191 9.164337 
-9.272797      12.99742 
1 1 1 1   24 15 o 94.28657 8.636144 92.14818       16.37453  81.36150       
23.33159  102.6181       22.98644  87.29821 13.58452 98.80746 11.66508 
-11.50925      17.90568 
1 1 1 1   24 16 o 109.9870 8.116315 125.0410       18.02489  111.2997       
25.26069  139.2953       25.72782  102.6126 12.35404 115.3342 11.10699 
-12.72160      16.61288 
1 1 1 1   24 17 o 98.46627 13.83959 103.8626       26.94663  103.8626       
26.94663  0.000000       0.000000  98.46627 13.83959 ?        ?        
0.000000       13.83959 
1 1 1 1   24 18 o 68.32852 14.21816 51.20839       19.11288  38.35467       
26.81949  64.47311       27.24491  59.41074 19.34873 75.62043 17.98042 
-16.20969      26.41342 
1 1 1 1   24 19 o 179.1290 6.644611 330.3273       24.20398  340.9623       
35.59084  321.1768       33.01348  180.4780 9.733552 175.3739 9.290219 
5.104126       13.45549 
1 1 1 1   24 20 o 36.12651 15.04162 5.804129       18.30045  -7.757657      
27.44362  16.66360       24.55768  37.52987 16.93852 45.24081 17.93514 
-7.710938      24.66947 
1 1 1 1   24 21 o 61.43311 16.06843 45.39241       20.30283  28.37052       
36.19410  53.20756       24.52464  52.82043 21.48318 65.51214 17.90027 
-12.69170      27.96331 
1 1 1 1   25 0  o 236.6451 3.824454 569.6005       18.40426  564.1884       
22.61990  580.2003       31.65611  235.4962 4.723406 238.7561 6.520061 
-3.259903      8.051196 
1 1 1 1   25 1  o 91.56007 4.118847 85.27299       7.668903  83.85896       
10.74725  86.73991       10.94642  90.58952 5.865512 92.13814 5.872865 
-1.548622      8.300287 
1 1 1 1   25 2  o 479.2925 4.648176 2336.947       45.30380  2403.440       
65.45043  2275.784       62.77196  485.9330 6.623456 472.8592 6.528034 
13.07382       9.299752 
1 1 1 1   25 3  o 440.4221 8.781207 1975.941       78.64565  0.000000       
0.000000  1975.941       78.64565  ?        ?        440.4221 8.781207 
0.000000       8.781207 
1 1 1 1   25 4  o 418.8773 5.124191 1785.184       43.64792  1785.184       
43.64792  0.000000       0.000000  418.8773 5.124191 ?        ?        
0.000000       5.124191 
1 1 1 1   25 5  o 446.8008 4.615914 2030.971       41.93948  2015.021       
48.49331  2078.305       83.53996  444.9976 5.358864 451.5960 9.096887 
-6.598450      10.55797 
1 1 1 1   25 6  o 78.86276 8.653375 64.14191       13.64940  41.91493       
19.27094  86.51821       19.33556  62.73666 15.25322 91.47913 10.58982 
-28.74247      18.56893 
1 1 1 1   25 7  o 212.9980 4.362008 461.6118       18.89354  429.3987       
26.30440  495.9417       27.15490  205.3535 6.299046 220.7048 6.050414 
-15.35123      8.734157 
1 1 1 1   25 8  o 387.1431 4.635875 1525.406       36.49679  1532.179       
51.97461  1518.818       51.26130  387.8099 6.590539 386.1223 6.528499 
1.687622       9.276665 
1 1 1 1   25 9  o 153.9895 6.045157 241.6082       18.92998  266.1271       
31.50924  227.7605       23.67971  161.0681 9.664728 149.2025 7.831945 
11.86566       12.43971 
1 1 1 1   25 10 o 167.2527 5.899440 285.1442       20.06483  283.9384       
33.46508  285.8210       25.07105  166.2219 9.946055 167.3330 7.367828 
-1.111069      12.37776 
1 1 1 1   25 11 o 350.6334 6.454847 1254.718       46.02466  1247.531       
64.96637  1261.960       65.21172  348.9718 9.154757 350.9894 9.136509 
-2.017548      12.93388 
1 1 1 1   25 12 o 144.3655 6.789094 212.9574       19.93089  216.8766       
34.28121  210.9562       24.49650  144.5201 11.76695 143.2492 8.446686 
1.270859       14.48474 
1 1 1 1   25 13 o 249.7662 6.889580 638.0262       34.99273  0.000000       
0.000000  638.0262       34.99273  ?        ?        249.7662 6.889580 
0.000000       6.889580 
1 1 1 1   25 14 o 124.1844 7.741000 158.7287       19.45132  174.4591       
32.00468  149.5148       24.49427  129.0546 12.34583 119.9867 10.13354 
9.067856       15.97211 
1 1 1 1   25 15 o 105.1110 9.021839 114.6201       19.09699  71.72099       
30.76233  141.5190       24.35916  80.14272 19.13926 116.5232 10.38910 
-36.38047      21.77716 
1 1 1 1   25 16 o 80.15565 12.86404 68.80701       20.25909  73.37759       
31.78111  65.67845       26.29392  80.69262 19.56939 76.94260 17.23315 
3.750023       26.07571 
1 1 1 1   25 17 o 35.99094 17.18653 -42.16877      35.22797  -42.16877      
35.22797  0.000000       0.000000  35.99094 17.18653 ?        ?        
0.000000       17.18653 
1 1 1 1   25 18 o 108.6862 10.51921 124.2990       22.95839  176.5668       
40.43714  99.43630       27.88928  127.1794 15.98893 95.48704 14.84507 
31.69234       21.81793 
1 1 1 1   25 19 o 102.8067 11.22030 112.8233       23.07637  185.1969       
42.80564  83.17243       27.39867  128.6624 16.75830 85.84184 16.29158 
42.82053       23.37213 
1 1 1 1   25 20 o 80.49530 13.87320 72.94673       21.88913  57.49503       
40.94514  79.12981       25.90100  67.22613 23.86743 82.67375 15.98450 
-15.44762      28.72557 
1 1 1 1   25 21 o 47.77255 16.60165 26.44287       19.73770  -36.48516      
34.40388  57.31662       24.09795  34.29357 16.53351 67.92162 17.37639 
-33.62805      23.98533 
1 1 1 1   26 0  o 324.3698 3.732790 1070.171       24.62212  1122.932       
35.74938  1022.557       33.96127  332.2113 5.291790 317.0171 5.268048 
15.19421       7.466952 
1 1 1 1   26 1  o 260.0601 3.486774 687.8618       18.43949  694.9415       
26.19408  680.9069       25.96223  261.3553 4.928565 258.7025 4.935032 
2.652771       6.974618 
1 1 1 1   26 2  o 77.10202 5.016369 60.73858       7.822341  69.93986       
11.10970  51.69215       11.01582  82.62283 6.669105 70.82353 7.776709 
11.79929       10.24471 
1 1 1 1   26 3  o 226.9413 6.816452 524.2970       31.45743  0.000000       
0.000000  524.2970       31.45743  ?        ?        226.9413 6.816452 
0.000000       6.816452 
1 1 1 1   26 4  o 258.8795 4.480458 681.8065       23.58694  681.8065       
23.58694  0.000000       0.000000  258.8795 4.480458 ?        ?        
0.000000       4.480458 
1 1 1 1   26 5  o 378.4089 4.272468 1456.772       32.87695  1471.498       
38.61164  1417.947       62.69553  380.2770 4.993060 373.0409 8.264731 
7.236176       9.655902 
1 1 1 1   26 6  o 279.8563 4.734017 796.9656       26.94116  772.4407       
33.90905  838.9489       44.36602  275.4466 6.053781 286.9516 7.603096 
-11.50497      9.718814 
1 1 1 1   26 7  o 254.7713 4.732048 660.5937       24.51608  689.8929       
31.44556  615.1819       39.14849  260.2888 5.940902 245.6555 7.836769 
14.63329       9.834087 
1 1 1 1   26 8  o 195.7384 4.705454 390.0111       18.72962  386.0740       
26.37736  394.0147       26.59940  194.6344 6.664386 196.6267 6.652394 
-1.992233      9.416389 
1 1 1 1   26 9  o 144.1169 6.300115 211.7313       18.46353  183.2084       
29.39829  230.3104       23.72672  133.2709 10.94429 150.0017 7.805354 
-16.73082      13.44251 
1 1 1 1   26 10 o 459.2767 5.029620 2149.170       46.97438  2199.623       
67.33349  2101.332       65.56540  464.1502 7.133804 453.6684 7.106975 
10.48178       10.06977 
1 1 1 1   26 11 o 240.9123 6.576005 592.6567       32.21607  592.6567       
32.21607  0.000000       0.000000  240.9123 6.576005 ?        ?        
0.000000       6.576005 
1 1 1 1   26 12 o 96.96006 8.050660 96.96210       15.73005  113.2925       
21.92137  79.62830       22.58475  104.3871 10.46792 86.68181 13.23193 
17.70526       16.87191 
1 1 1 1   26 13 o 141.6312 7.161999 205.8692       20.56041  191.8235       
34.98341  213.2808       25.41255  135.2941 12.87053 143.8451 8.728919 
-8.550964      15.55135 
1 1 1 1   26 14 o 63.48527 12.44011 43.30745       15.48579  61.54946       
21.07328  21.89199       22.83282  75.50651 14.24685 49.01181 17.77179 
26.49469       22.77739 
1 1 1 1   26 15 o 193.4416 5.519327 382.4843       21.71138  401.4471       
30.30692  362.4928       31.11821  197.7291 7.537367 187.7357 8.151103 
9.993439       11.10191 
1 1 1 1   26 16 o 78.75355 11.66199 65.98235       18.11186  77.73558       
25.21628  53.45715       26.03124  84.43717 15.24681 69.08298 18.25516 
15.35419       23.78479 
1 1 1 1   26 17 o 163.9761 9.504637 279.4969       31.55736  279.4969       
31.55736  0.000000       0.000000  163.9761 9.504637 ?        ?        
0.000000       9.504637 
1 1 1 1   26 18 o 79.81361 12.29298 68.66193       19.31151  60.42558       
27.15472  77.09014       27.46920  72.63593 18.37155 82.81335 16.88403 
-10.17742      24.95164 
1 1 1 1   26 19 f 140.1785 7.770405 204.5413       22.06347  242.9907       
31.89172  169.2451       30.55603  151.4617 10.41772 125.3738 12.13693 
26.08791       15.99481 
1 1 1 1   26 20 o 75.29543 12.71233 63.47399       18.77150  55.19939       
27.60995  70.58651       25.59789  66.63116 19.27803 77.03992 16.81179 
-10.40877      25.57888 
1 1 1 1   26 21 o 27.81281 12.81650 -8.849928      16.79254  17.24340       
24.34333  -32.53904      23.19475  43.59370 17.65909 27.17492 13.21339 
16.41877       22.05532 
1 1 1 1   27 0  o 262.7221 3.498928 702.0308       18.69317  718.9639       
26.69555  685.7402       26.18414  265.8287 4.938393 259.6133 4.959752 
6.215424       6.999062 
1 1 1 1   27 1  o 400.6992 4.164702 1633.283       33.93547  1649.003       
48.28022  1617.933       47.70889  402.5284 5.898225 398.7191 5.884111 
3.809296       8.331376 
1 1 1 1   27 2  o 147.9199 3.724290 222.5573       11.20267  245.1146       
16.19831  201.8761       15.51004  155.2084 5.132192 140.8494 5.415098 
14.35898       7.460742 
1 1 1 1   27 3  o 70.48938 11.11438 51.92851       15.40382  0.000000       
0.000000  51.92851       15.40382  ?        ?        70.48938 11.11438 
0.000000       11.11438 
1 1 1 1   27 4  o 335.1335 4.752193 1142.801       32.38645  1142.801       
32.38645  0.000000       0.000000  335.1335 4.752193 ?        ?        
0.000000       4.752193 
1 1 1 1   27 5  o 363.5447 4.217542 1344.662       31.17946  1342.160       
36.40632  1351.549       60.39449  363.1640 4.929724 364.1575 8.155613 
-0.9935303     9.529754 
1 1 1 1   27 6  o 166.8708 5.266012 283.4517       17.86955  264.8873       
23.59710  308.4115       27.36138  161.2337 7.196999 173.9477 7.735137 
-12.71396      10.56547 
1 1 1 1   27 7  f 262.5078 4.798286 701.4530       25.61414  662.8245       
31.80497  772.7485       43.20879  255.0859 6.131363 275.2780 7.718789 
-20.19208      9.857653 
1 1 1 1   27 8  o 225.6631 4.552573 518.4314       20.89147  518.0134       
29.70030  518.8408       29.39211  225.4263 6.478951 225.6127 6.406427 
-0.1863556     9.111483 
1 1 1 1   27 9  o 207.3131 5.331365 437.9331       22.47587  438.1635       
35.96392  437.7854       28.79086  207.0197 8.542872 207.1351 6.835173 
-0.1154022     10.94076 
1 1 1 1   27 10 o 205.8325 4.768365 431.6774       19.95882  433.3116       
28.08583  430.0102       28.36836  206.0112 6.704168 205.2130 6.797950 
0.7982635      9.547670 
1 1 1 1   27 11 o 157.8802 6.774594 254.7202       21.75015  261.3508       
24.77531  232.4341       45.42155  159.8150 7.623426 148.5888 15.24839 
11.22620       17.04788 
1 1 1 1   27 12 o 86.45182 8.622462 77.45089       14.95629  88.96699       
20.41512  64.10947       21.97354  92.18445 11.11454 77.19959 14.53016 
14.98486       18.29367 
1 1 1 1   27 13 f 200.7505 5.272552 411.4085       21.52430  425.3878       
30.16759  396.9128       30.71983  203.7640 7.280510 196.7422 7.678386 
7.021820       10.58128 
1 1 1 1   27 14 o 115.8800 7.282115 138.2507       17.07274  155.3948       
23.53296  119.2010       24.80635  122.3612 9.532834 106.5055 11.64319 
15.85573       15.04788 
1 1 1 1   27 15 f 148.1472 6.597742 224.9609       19.87651  212.7875       
27.56591  238.1446       28.68685  143.1628 9.523032 151.5394 9.354801 
-8.376633      13.34917 
1 1 1 1   27 16 o 121.2139 7.864483 151.8749       19.28067  146.6586       
26.30572  157.9301       28.34197  118.1594 11.07719 122.4982 11.51262 
-4.338806      15.97637 
1 1 1 1   27 17 o 35.44046 15.98826 -9.945318      24.41862  -4.860345      
27.25790  -30.61010      54.94945  39.30897 17.36544 49.61025 22.97419 
-10.30128      28.79881 
1 1 1 1   27 18 o 89.54096 11.10905 85.52585       19.79336  88.16263       
29.06712  83.24603       27.02804  88.46837 16.77084 86.27374 15.99478 
2.194626       23.17529 
1 1 1 1   27 19 o 85.00994 11.57789 78.43922       19.49417  83.16608       
27.43511  73.61901       27.70470  85.03018 16.46143 79.22282 17.64900 
5.807365       24.13433 
1 1 1 1   27 20 o 49.73370 15.57905 28.94770       17.51896  23.97961       
25.73898  33.23582       23.91280  48.16588 18.57439 52.91235 18.27983 
-4.746471      26.06070 
1 1 1 1   28 0  o 272.2165 3.573543 753.7269       19.78176  762.1438       
28.07781  745.4314       27.87456  273.6810 5.045071 270.6629 5.064398 
3.018066       7.148487 
1 1 1 1   28 1  o 546.0599 5.105550 3034.193       56.69363  3007.574       
79.70851  3061.447       80.65364  543.4469 7.212671 548.2901 7.233727 
-4.843201      10.21516 
1 1 1 1   28 2  o 296.2925 4.271388 893.1246       25.73601  920.1520       
44.74944  879.7670       31.45928  300.5753 7.321211 294.0249 5.261545 
6.550385       9.015763 
1 1 1 1   28 3  o 309.6649 3.913164 975.5035       24.64174  965.6469       
28.81197  1002.353       47.55276  308.0663 4.599147 313.6855 7.454694 
-5.619263      8.759259 
1 1 1 1   28 4  o 214.0834 4.684348 466.3774       20.39312  466.3774       
20.39312  0.000000       0.000000  214.0834 4.684348 ?        ?        
0.000000       4.684348 
1 1 1 1   28 5  o 373.2426 4.284091 1417.534       32.51632  1402.993       
37.77011  1459.168       63.91128  371.2722 5.002699 378.2884 8.308125 
-7.016205      9.698038 
1 1 1 1   28 6  o 226.6294 4.782651 522.7946       22.04126  540.2463       
28.81736  498.1928       34.21516  230.2982 6.153359 221.0469 7.611718 
9.251282       9.787853 
1 1 1 1   28 7  o 434.6857 4.683104 1923.643       41.39621  1901.111       
47.87703  1990.381       82.39711  432.0352 5.449499 441.3653 9.180416 
-9.330048      10.67601 
1 1 1 1   28 8  f 192.9654 4.477450 379.1375       17.56959  378.0312       
20.99445  381.7234       32.09618  192.6245 5.359714 193.3037 8.165106 
-0.6791840     9.767061 
1 1 1 1   28 9  o 283.8437 5.095230 821.0212       29.40996  782.2850       
48.07241  844.1917       37.17960  276.5050 8.549515 287.6419 6.356252 
-11.13693      10.65346 
1 1 1 1   28 10 o 291.5103 4.520602 865.8589       26.79796  821.1165       
36.91559  915.7028       38.96334  283.5780 6.401561 299.4666 6.398180 
-15.88858      9.050784 
1 1 1 1   28 11 o 106.9717 8.655327 118.1519       18.66663  126.3125       
21.31917  91.34248       38.64132  110.4415 9.587764 90.62360 21.32376 
19.81792       23.38008 
1 1 1 1   28 12 o 128.6076 6.336647 169.1063       16.57210  166.8935       
23.05954  171.4699       23.83255  127.1043 8.979294 128.8035 9.158640 
-1.699165      12.82608 
1 1 1 1   28 13 o 122.0764 6.954697 153.1536       17.19333  141.9202       
23.45478  166.2008       25.27747  116.8356 9.967329 126.5165 9.904116 
-9.680847      14.05130 
1 1 1 1   28 14 o 243.1839 5.050807 604.0254       24.97738  615.9754       
34.48798  590.8431       36.22253  245.0932 6.919665 239.8878 7.425388 
5.205353       10.14979 
1 1 1 1   28 15 f 75.28738 13.07765 61.12295       19.29534  113.0506       
33.60450  35.58209       23.56762  101.4866 16.87573 57.32740 18.08626 
44.15920       24.73668 
1 1 1 1   28 16 o 77.28715 11.53169 63.70926       17.56930  46.55940       
25.13368  80.09773       24.56942  64.41910 18.31762 85.77231 14.60994 
-21.35321      23.43044 
1 1 1 1   28 17 o 103.2885 11.96780 113.6545       24.67150  129.4788       
27.80911  55.15978       53.46678  110.0408 12.65805 71.64632 26.97543 
38.39445       29.79765 
1 1 1 1   28 18 o 57.61374 15.77330 37.63029       19.02066  35.48493       
26.64849  39.85835       27.15727  56.67707 19.30667 59.29666 19.47792 
-2.619591      27.42512 
1 1 1 1   28 19 o 152.9854 6.965668 242.9729       21.67026  232.6648       
30.53485  253.4329       30.75912  147.6518 10.23276 154.3920 9.848455 
-6.740204      14.20216 
1 1 1 1   28 20 o 38.10604 15.03855 12.38894       17.19364  -11.57515      
25.87511  31.33596       23.00764  34.28220 15.83684 51.19865 17.91670 
-16.91644      23.91263 
1 1 1 1   29 0  f 429.7545 4.359828 1879.067       38.10143  1887.108       
54.08714  1871.147       53.68225  430.5332 6.177831 428.7104 6.157654 
1.822815       8.722517 
1 1 1 1   29 1  o 293.7488 3.705128 877.7697       22.13251  875.8226       
31.28052  879.7216       31.31971  293.3528 5.243634 294.0053 5.238551 
-0.6525269     7.412025 
1 1 1 1   29 2  o 485.8816 5.454527 2402.985       53.89382  2333.614       
90.90533  2440.582       66.92323  478.3179 9.345904 489.5309 6.722725 
-11.21304      11.51264 
1 1 1 1   29 3  o 112.6469 5.864849 129.5430       13.38825  108.0509       
18.25693  154.5470       19.69212  102.5543 8.840707 122.8842 7.922558 
-20.32993      11.87118 
1 1 1 1   29 4  o 625.0958 6.665632 3980.500       84.73042  3980.500       
84.73042  0.000000       0.000000  625.0958 6.665632 ?        ?        
0.000000       6.665632 
1 1 1 1   29 5  o 174.0874 4.303969 308.4220       15.23660  305.9760       
18.30593  313.9377       27.48907  173.3603 5.192668 175.4640 7.704075 
-2.103683      9.290671 
1 1 1 1   29 6  o 82.17399 8.247319 69.60680       13.59563  85.09980       
19.43132  54.74835       19.02924  90.56413 10.76168 71.86600 13.51720 
18.69814       17.27798 
1 1 1 1   29 7  o 274.8288 4.822352 769.1871       26.95086  810.1260       
35.35266  712.3809       41.64399  281.9063 6.166884 264.1556 7.752487 
17.75067       9.906136 
1 1 1 1   29 8  o 207.2136 4.330946 437.2477       18.24957  446.4544       
21.83517  415.9140       33.23828  209.3188 5.129756 201.7071 8.103373 
7.611694       9.590570 
1 1 1 1   29 9  o 152.3558 6.047879 236.8640       18.73758  201.2553       
29.56260  260.7755       24.22520  139.5544 10.49395 159.7120 7.458961 
-20.15767      12.87474 
1 1 1 1   29 10 o 42.28082 13.70768 18.05753       13.46751  39.23392       
18.46982  -5.983787      19.67958  60.17504 15.11404 33.17857 14.70131 
26.99647       21.08465 
1 1 1 1   29 11 o 232.1399 5.687215 550.2914       26.84731  561.5444       
31.36302  519.4350       51.93450  234.3305 6.581693 223.7957 11.45010 
10.53479       13.20695 
1 1 1 1   29 12 o 101.2919 7.521632 105.7710       15.38249  100.6735       
20.91919  111.7720       22.69774  98.12525 10.65487 103.3692 10.96536 
-5.243927      15.28939 
1 1 1 1   29 13 o 85.23910 9.493639 75.88438       16.17638  103.4825       
23.10837  49.36523       22.65215  99.10500 11.69133 66.84666 16.70952 
32.25833       20.39352 
1 1 1 1   29 14 o 82.26304 10.37713 71.26197       16.97312  95.60474       
23.36346  44.05561       24.69946  94.84368 12.41150 63.01421 18.23425 
31.82948       22.05750 
1 1 1 1   29 15 o 66.71064 14.89520 49.06819       19.69551  35.87091       
30.74202  58.25658       25.65134  58.96977 20.70621 72.00748 17.65381 
-13.03771      27.21037 
1 1 1 1   29 16 o 47.82924 15.53964 24.10417       17.30313  13.27067       
25.01321  34.04565       23.96131  45.04508 18.02166 56.13552 18.28901 
-11.09044      25.67621 
1 1 1 1   29 17 o 162.1431 8.339850 273.0692       27.40532  253.9460       
31.26585  336.4794       56.93370  155.6627 9.928980 175.1805 16.16436 
-19.51779      18.97027 
1 1 1 1   29 18 o 136.9932 7.603710 195.2901       21.09922  189.0460       
29.84269  201.5309       29.83492  133.0593 11.13139 137.6293 10.74532 
-4.569946      15.47157 
1 1 1 1   29 19 o 51.91765 15.81727 31.46072       18.20549  36.58287       
26.21584  26.68967       25.30140  55.53274 19.14243 49.88599 18.60071 
5.646748       26.69118 
1 1 1 1   29 20 o 77.67442 11.69362 68.00712       17.89785  45.46150       
25.64431  89.41878       24.99109  59.08636 18.89036 87.01913 14.64269 
-27.93277      23.90093 
1 1 1 1   30 0  o 212.0357 3.573030 457.3597       15.40625  470.2978       
21.84178  444.5488       21.73409  214.9622 4.996597 208.9899 5.114048 
5.972336       7.149788 
1 1 1 1   30 1  o 458.0035 5.242956 2135.210       48.83109  2087.750       
82.75986  2160.557       60.48102  452.3976 8.995972 460.5819 6.457446 
-8.184326      11.07367 
1 1 1 1   30 2  o 635.4882 6.629738 4113.806       85.67524  4033.796       
145.5694  4156.208       105.9735  628.1387 11.39628 638.4490 8.162435 
-10.31036      14.01786 
1 1 1 1   30 3  o 239.0227 4.600701 581.4579       22.36220  581.4579       
22.36220  0.000000       0.000000  239.0227 4.600701 ?        ?        
0.000000       4.600701 
1 1 1 1   30 4  o 466.0710 4.752371 2211.151       45.04160  2175.647       
51.83039  2320.677       91.03388  462.2233 5.514184 476.6900 9.391082 
-14.46667      10.89030 
1 1 1 1   30 5  f 270.1073 4.003031 742.4932       21.98754  724.2356       
25.76200  791.4681       42.19341  266.7159 4.749843 278.5590 7.448624 
-11.84311      8.834196 
1 1 1 1   30 6  o 170.7567 4.516420 296.8745       15.68280  287.2337       
19.06848  317.0275       27.56967  167.9004 5.584867 176.2279 7.693174 
-8.327515      9.506612 
1 1 1 1   30 7  o 158.6446 4.595108 256.3319       14.82424  258.4756       
18.18587  252.0867       25.59225  159.2406 5.616025 156.8499 8.050789 
2.390717       9.816055 
1 1 1 1   30 8  o 330.5744 4.286976 1113.054       28.81853  1126.662       
33.98006  1078.189       54.39154  332.4808 5.025812 324.5957 8.240188 
7.885040       9.651916 
1 1 1 1   30 9  f 201.5095 4.121583 413.6501       16.88928  397.0943       
21.22829  442.2035       27.87841  197.3152 5.290578 208.0430 6.589669 
-10.72781      8.450678 
1 1 1 1   30 10 o 165.7465 5.682846 280.4889       19.15409  284.8516       
24.76852  273.9984       30.21100  166.8054 7.301943 163.0317 9.149567 
3.773743       11.70611 
1 1 1 1   30 11 o 54.68416 15.01700 32.40873       17.20965  20.25189       
18.86367  92.75316       42.02760  46.17999 16.21962 90.43867 22.84517 
-44.25868      28.01746 
1 1 1 1   30 12 o 67.35143 11.31533 48.28671       14.94807  28.82965       
20.15486  72.07339       22.28477  52.37914 16.74700 81.88525 13.87861 
-29.50611      21.75035 
1 1 1 1   30 13 o 183.9427 5.435040 345.8985       20.32997  335.1110       
27.55230  358.7913       30.12096  180.6089 7.501830 186.7684 7.930747 
-6.159454      10.91669 
1 1 1 1   30 14 o 149.1419 6.310242 228.0294       19.13803  241.1065       
26.37237  213.4816       27.81579  152.6155 8.531816 143.2334 9.605458 
9.382172       12.84744 
1 1 1 1   30 15 o 125.1755 8.605850 162.7011       21.77298  135.9209       
36.31474  177.7307       27.20510  111.2490 16.55687 130.2641 10.35556 
-19.01505      19.52863 
1 1 1 1   30 16 o 125.7060 8.030474 163.8839       20.42091  185.9739       
28.68291  141.1776       29.08023  132.9645 10.69861 114.9532 12.64944 
18.01132       16.56709 
1 1 1 1   30 17 o 91.74750 12.85788 91.32934       23.33032  89.04697       
26.33575  99.65198       50.29014  89.61121 14.98100 88.51279 26.13602 
1.098419       30.12510 
1 1 1 1   30 18 o 29.39642 13.45913 -9.753772      18.11511  -7.009101      
25.85553  -12.40011      25.38814  36.62645 16.49421 34.64329 15.88789 
1.983158       22.90162 
1 1 1 1   30 19 o 159.4484 10.03878 273.8726       32.38395  273.8726       
32.38395  0.000000       0.000000  159.4484 10.03878 ?        ?        
0.000000       10.03878 
1 1 1 1   30 20 o 57.86892 14.74853 40.89427       17.40672  73.59363       
25.60601  12.80118       23.73406  76.35119 16.93543 40.79173 17.06911 
35.55946       24.04502 
1 1 1 1   31 0  o 276.9785 4.223887 780.6787       23.79084  779.3762       
40.28876  781.3760       29.47944  276.5332 7.164489 277.0410 5.232674 
-0.5078735     8.871909 
1 1 1 1   31 1  o 474.6915 5.369243 2294.242       51.82937  2310.519       
89.90105  2286.138       63.43195  475.7230 9.293069 473.6890 6.585115 
2.034027       11.38968 
1 1 1 1   31 2  o 114.3864 4.600596 133.1768       10.70139  121.2792       
14.95360  145.6664       15.32120  108.8802 6.787543 119.4068 6.332383 
-10.52663      9.282770 
1 1 1 1   31 3  o 570.7974 6.256748 3319.707       72.62432  3319.707       
72.62432  0.000000       0.000000  570.7974 6.256748 ?        ?        
0.000000       6.256748 
1 1 1 1   31 4  o 149.6927 4.434306 228.1041       13.49825  218.4196       
16.28461  249.3671       24.12977  146.4357 5.468637 156.3370 7.589970 
-9.901291      9.354873 
1 1 1 1   31 5  o 139.9711 4.728814 199.5089       13.45990  189.9440       
16.36322  219.5221       23.66939  136.5169 5.894283 146.4023 7.980496 
-9.885406      9.921234 
1 1 1 1   31 6  o 318.0070 4.147979 1029.646       26.82407  1035.487       
31.65870  1014.783       50.50358  318.8237 4.883049 315.1425 7.880681 
3.681213       9.270885 
1 1 1 1   31 7  o 93.95773 7.166918 90.70750       13.59027  104.7066       
18.66610  74.91560       19.82533  100.6693 9.220556 84.49319 11.86551 
16.17610       15.02694 
1 1 1 1   31 8  o 60.98495 9.630435 39.09951       11.54672  60.26472       
14.31792  -0.2705815     19.52773  76.05051 9.462828 35.45389 15.18418 
40.59663       17.89146 
1 1 1 1   31 9  o 260.0723 4.215516 689.2512       22.29442  693.6340       
26.07209  677.3282       43.00189  260.7934 4.916182 257.0106 8.227826 
3.782776       9.584674 
1 1 1 1   31 10 o 75.38273 9.890133 59.54296       14.79509  69.94360       
19.59015  45.73504       22.57210  81.22861 12.23975 64.57919 16.96746 
16.64942       20.92142 
1 1 1 1   31 11 o 198.7036 6.009164 403.7675       24.28126  384.0537       
27.24197  479.9600       53.55627  193.6112 6.919210 214.3446 12.33913 
-20.73337      14.14672 
1 1 1 1   31 12 o 87.31583 8.747398 79.32905       15.32296  63.79803       
21.22671  96.22854       22.14213  76.76164 14.11863 95.48006 11.64523 
-18.71842      18.30156 
1 1 1 1   31 13 o 223.3776 5.131352 510.0312       23.30895  555.4118       
32.32647  460.8863       33.64046  232.6295 6.833481 211.6073 7.817717 
21.02228       10.38331 
1 1 1 1   31 14 o 70.28426 12.08871 53.18028       16.65486  42.22215       
22.74314  65.85241       24.45720  61.46970 17.40589 77.00546 16.13475 
-15.53576      23.73384 
1 1 1 1   31 15 o 114.6929 9.304578 137.3701       21.51419  131.3725       
33.81826  141.4478       27.88444  109.6026 15.61475 115.3850 12.06226 
-5.782410      19.73115 
1 1 1 1   31 16 o 122.9399 10.98154 159.8603       27.16514  159.8603       
27.16514  0.000000       0.000000  122.9399 10.98154 ?        ?        
0.000000       10.98154 
1 1 1 1   31 17 o 66.20375 16.79719 50.58589       22.64991  45.95079       
25.56565  67.50026       48.83772  62.74277 18.66125 73.65591 26.07542 
-10.91313      32.06508 
1 1 1 1   31 18 o 90.16479 11.70238 88.94516       20.95069  74.06055       
36.94141  96.00259       25.43714  75.60733 22.41942 92.40839 13.97270 
-16.80106      26.41717 
1 1 1 1   31 19 f 78.87888 11.57724 69.64040       18.01761  66.58805       
26.17677  72.38838       24.83744  72.75753 17.83127 77.15486 16.33903 
-4.397331      24.18509 
1 1 1 1   32 0  o 362.2701 4.657845 1335.998       34.31381  1322.741       
58.25302  1343.042       42.46242  360.0559 7.956043 363.1101 5.750625 
-3.054199      9.816736 
1 1 1 1   32 1  o 364.8090 4.674760 1354.843       34.67978  1407.561       
60.78357  1329.400       42.22720  371.3889 8.048331 361.2532 5.748164 
10.13568       9.890249 
1 1 1 1   32 2  o 364.5040 4.127893 1352.280       30.59723  1392.721       
43.83229  1313.846       42.73077  369.7278 5.829894 359.1030 5.851542 
10.62482       8.260036 
1 1 1 1   32 3  o 73.45142 12.12752 56.80021       17.48215  56.80021       
17.48215  0.000000       0.000000  73.45142 12.12752 ?        ?        
0.000000       12.12752 
1 1 1 1   32 4  o 243.1632 3.993158 601.8869       19.74539  588.8488       
23.41019  634.0280       36.75590  240.4548 4.787624 249.2434 7.251903 
-8.788589      8.689732 
1 1 1 1   32 5  o 37.71952 12.84281 13.54929       11.79169  29.95694       
17.58760  0.1514653      15.89282  53.18872 15.38553 32.32970 13.76827 
20.85903       20.64654 
1 1 1 1   32 6  o 210.2409 4.161520 450.1519       17.79183  447.6371       
21.44102  455.7122       31.88178  209.5745 5.031014 211.1627 7.424615 
-1.588120      8.968613 
1 1 1 1   32 7  o 188.3260 4.327348 361.3407       16.57233  354.4413       
19.84055  377.2632       30.14073  186.4326 5.233356 192.0094 7.719332 
-5.576797      9.326098 
1 1 1 1   32 8  o 246.7612 4.661667 620.7852       23.39212  594.2342       
28.39329  676.8823       41.27106  241.2515 5.787543 257.0260 7.896183 
-15.77451      9.790065 
1 1 1 1   32 9  o 52.36314 11.38767 29.44922       11.78045  36.68674       
14.26831  13.95033       20.87988  58.38090 12.40128 43.47937 16.74007 
14.90152       20.83319 
1 1 1 1   32 10 o 140.4265 6.140296 201.6951       17.53436  195.0400       
22.30655  212.4569       28.36603  137.5798 8.007715 143.1505 9.803416 
-5.570633      12.65822 
1 1 1 1   32 11 o 132.0867 7.666754 179.8026       20.50452  167.6337       
22.73330  232.8931       47.48389  127.2396 8.840837 147.2789 16.11762 
-20.03932      18.38309 
1 1 1 1   32 12 o 159.2684 5.711261 259.5639       18.49750  278.1844       
25.41901  238.6041       26.96853  164.4807 7.599626 151.8078 8.773383 
12.67293       11.60718 
1 1 1 1   32 13 o 200.3902 5.379105 410.8845       21.91987  412.2015       
30.13319  409.4043       31.94481  200.1479 7.403596 199.3100 7.881700 
0.8379059      10.81362 
1 1 1 1   32 14 o 163.2858 6.145950 273.5441       20.40745  290.8100       
28.33887  254.9456       29.41204  167.7396 8.307981 156.4835 9.284349 
11.25606       12.45880 
1 1 1 1   32 15 o 105.5819 10.21639 117.3952       21.66078  117.4039       
35.77088  117.3902       27.21842  102.1699 17.86756 104.4488 13.10306 
-2.278923      22.15717 
1 1 1 1   32 16 o 52.85986 16.48697 31.00047       19.64422  54.71561       
25.79715  -1.730738      30.30679  68.74452 18.17633 41.92467 18.42425 
26.81985       25.88111 
1 1 1 1   32 17 o 34.68216 15.54055 -5.837728      22.63543  -16.56912      
26.26870  25.10722       44.60725  34.20470 15.85573 56.42933 23.48836 
-22.22464      28.33915 
1 1 1 1   32 18 o 53.15335 16.29654 33.44049       19.28659  23.85221       
35.34272  37.50666       23.01560  51.30214 21.08828 55.77449 17.90280 
-4.472351      27.66272 
1 1 1 1   32 19 o 89.89108 10.11183 88.96535       18.16321  112.2662       
26.97616  69.64215       24.56598  97.96701 13.93359 74.77057 16.59035 
23.19644       21.66529 
1 1 1 1   33 0  o 150.7007 4.570963 231.2358       14.00795  252.6277       
23.29212  219.1146       17.53304  157.3498 7.279329 146.6312 5.880028 
10.71860       9.357530 
1 1 1 1   33 1  o 360.5718 4.068042 1323.414       29.82831  1338.118       
42.44536  1309.067       41.92662  362.3638 5.760153 358.4097 5.752527 
3.954071       8.140697 
1 1 1 1   33 2  o 417.3914 5.092723 1774.680       43.22600  1809.822       
53.37140  1707.678       73.69470  421.3087 6.229552 408.6622 8.867892 
12.64648       10.83729 
1 1 1 1   33 3  o 281.5106 4.711726 807.1627       26.97281  807.1627       
26.97281  0.000000       0.000000  281.5106 4.711726 ?        ?        
0.000000       4.711726 
1 1 1 1   33 4  o 93.39164 5.802959 89.27915       10.96618  96.18372       
13.71175  77.02439       18.26742  96.80646 7.012785 85.97694 10.67820 
10.82951       12.77509 
1 1 1 1   33 5  o 197.8993 4.810885 399.0980       19.36069  396.4428       
25.37052  402.8002       29.95805  197.0792 6.330487 198.5099 7.421297 
-1.430710      9.754523 
1 1 1 1   33 6  o 82.95041 6.699312 70.75619       11.20413  75.50233       
14.02250  62.37624       18.63269  85.48008 8.166300 76.76868 12.35462 
8.711403       14.80963 
1 1 1 1   33 7  o 143.1874 4.764372 209.0503       13.87273  194.7251       
16.62775  241.8593       25.16397  138.0889 5.921386 153.4002 8.095478 
-15.31128      10.02993 
1 1 1 1   33 8  o 166.9485 4.990265 284.3795       16.94172  275.5908       
21.27869  299.5976       28.00021  164.1684 6.373882 170.8806 8.057812 
-6.712189      10.27398 
1 1 1 1   33 9  o 248.0685 4.238718 627.4631       21.38245  635.9235       
25.23333  605.9149       40.27037  249.6034 4.971330 242.8506 8.154457 
6.752792       9.550356 
1 1 1 1   33 10 o 71.98328 8.759875 54.13892       12.55837  64.94315       
15.37561  32.48666       21.76644  78.68571 9.823141 55.16486 17.37898 
23.52085       19.96304 
1 1 1 1   33 11 o 229.2495 5.837517 537.8662       27.21372  527.0374       
30.85509  575.7936       57.74459  226.6980 6.693104 234.3752 12.15745 
-7.677109      13.87808 
1 1 1 1   33 12 o 72.11352 10.63276 55.22528       15.12458  38.18961       
20.72328  74.64201       22.12416  58.70117 16.61257 83.10805 13.55855 
-24.40688      21.44322 
1 1 1 1   33 13 o 183.6840 5.656662 345.6657       21.12920  365.6235       
29.44458  324.4787       30.33784  188.3105 7.689168 177.1539 8.421366 
11.15660       11.40363 
1 1 1 1   33 14 o 148.1566 6.710506 225.7640       20.21752  245.9909       
28.45574  205.1454       28.73000  153.6453 9.148921 139.8578 10.17143 
13.78751       13.68067 
1 1 1 1   33 15 o 195.3815 5.961842 392.0383       23.68728  429.2019       
33.40607  354.4589       33.59245  203.5923 8.068871 184.6354 8.946957 
18.95688       12.04802 
1 1 1 1   33 16 o 164.2020 7.155802 278.9025       23.89396  291.1333       
31.16540  261.4612       37.21646  166.5878 9.235953 156.3339 11.79342 
10.25395       14.97957 
1 1 1 1   33 17 o 58.63420 17.13609 40.62323       21.71748  25.13910       
26.55279  71.91297       37.74572  49.90430 18.95790 74.58076 22.78695 
-24.67646      29.64198 
1 1 1 1   33 18 o 61.75055 15.33715 45.71457       19.17211  47.96005       
35.55821  44.79424       22.76450  60.37816 22.13436 59.96841 17.54953 
0.4097557      28.24741 
1 1 1 1   33 19 o 25.92402 12.15569 -11.82031      16.16708  3.858180       
24.02156  -24.80244      21.85860  37.06844 16.34253 27.36514 13.18952 
9.703295       21.00099 
1 1 1 1   34 0  o 228.3899 4.288321 531.1516       19.91661  532.8870       
24.02918  527.3425       35.59914  228.6862 5.167107 227.1951 7.705294 
1.491150       9.277421 
1 1 1 1   34 1  o 134.2811 4.889769 183.6996       13.35225  190.3724       
15.86697  167.5090       24.71550  136.6492 5.709992 127.5158 9.601811 
9.133453       11.17134 
1 1 1 1   34 2  o 284.6768 4.420953 825.3948       25.59289  815.4360       
31.00629  846.6844       45.33455  282.8376 5.390900 287.8207 7.745614 
-4.983124      9.436967 
1 1 1 1   34 3  o 155.5580 4.972758 246.6084       15.73045  279.8630       
21.63821  209.3345       22.90854  165.5871 6.426040 142.8529 7.916956 
22.73419       10.19668 
1 1 1 1   34 4  o 133.1880 4.577926 180.7515       12.39896  179.8299       
15.23110  182.5622       21.34853  132.7744 5.641125 133.3408 7.908559 
-0.5664673     9.714298 
1 1 1 1   34 5  f 373.0806 5.030126 1419.293       38.16216  1451.960       
48.59815  1366.748       61.63472  377.0326 6.338543 365.2102 8.299102 
11.82233       10.44281 
1 1 1 1   34 6  o 48.55979 10.49798 25.22363       10.06447  21.22299       
12.58186  32.33186       16.77109  44.75219 13.03277 54.71161 14.74186 
-9.959427      19.67678 
1 1 1 1   34 7  o 116.5315 5.306675 138.6232       12.57527  148.3136       
15.62553  120.8085       21.18623  120.2581 6.412683 107.8538 9.765684 
12.40429       11.68294 
1 1 1 1   34 8  o 148.5641 5.265013 225.3950       15.90614  234.7253       
20.09570  209.7442       26.02682  151.4312 6.525840 142.4373 9.032319 
8.993896       11.14313 
1 1 1 1   34 9  o 42.75105 12.24821 19.53695       11.19445  29.11119       
13.84530  1.461300       19.02381  51.75576 13.13341 35.52418 15.09456 
16.23158       20.00830 
1 1 1 1   34 10 o 188.5476 4.568400 362.9048       17.51607  385.5027       
20.86787  309.0140       32.22557  194.1990 5.284205 172.7043 9.209093 
21.49472       10.61745 
1 1 1 1   34 11 o 121.7937 6.567766 152.6314       16.20635  138.2890       
17.38025  248.1738       44.85835  115.7192 7.425014 152.1917 14.67636 
-36.47243      16.44769 
1 1 1 1   34 12 o 118.9039 7.078396 145.9446       17.03779  148.1485       
23.42905  143.4709       24.82135  119.0052 9.767520 116.8229 10.56255 
2.182274       14.38652 
1 1 1 1   34 13 o 89.39717 9.398137 83.94946       16.82929  73.16743       
23.08634  96.17644       24.58467  81.64120 14.43373 94.39329 13.16617 
-12.75209      19.53665 
1 1 1 1   34 14 o 33.53295 14.21052 2.159327       16.78691  -11.75836      
24.34276  14.77963       23.18042  34.58569 15.74535 44.42672 17.48425 
-9.841038      23.52903 
1 1 1 1   34 15 o 108.2395 8.678816 122.6441       18.94217  143.4791       
26.55762  101.0692       27.02504  115.9684 11.40923 95.84335 14.30393 
20.12508       18.29680 
1 1 1 1   34 16 o 36.36283 15.25766 5.070456       19.04506  -3.957803      
24.48061  18.91187       30.31171  36.72375 16.32840 48.93273 19.74608 
-12.20897      25.62273 
1 1 1 1   34 17 o 94.06522 11.13291 96.60772       20.88247  129.1953       
27.21659  49.96404       32.56146  107.9256 12.64045 62.80513 21.34166 
45.12051       24.80418 
1 1 1 1   34 18 f 40.40465 15.68437 15.94711       18.44677  10.22336       
35.37835  18.08428       21.61806  45.01836 19.84094 42.80087 16.87189 
2.217491       26.04465 
1 1 1 1   34 19 o 28.28035 12.82720 -4.023704      15.96614  0.7317048      
23.50324  -8.098665      21.75683  35.22167 15.80521 31.30894 14.48391 
3.912727       21.43802 
1 1 1 1   35 0  o 163.7579 4.485670 273.1957       14.93760  277.1852       
17.90428  264.0594       27.09496  164.8821 5.339886 160.4007 8.335468 
4.481415       9.899213 
1 1 1 1   35 1  o 179.0863 4.424683 326.7320       16.11372  359.6440       
19.66574  259.4904       28.10941  187.8251 5.148793 158.9167 8.731709 
28.90836       10.13671 
1 1 1 1   35 2  o 154.8775 4.639106 244.4395       14.61080  239.7476       
17.54778  255.0441       26.38135  153.3029 5.628862 157.6075 8.260046 
-4.304626      9.995622 
1 1 1 1   35 3  o 86.76418 5.853008 77.17963       10.26657  73.15584       
12.79379  84.45702       17.20559  84.22469 7.549934 90.19881 9.524343 
-5.974113      12.15379 
1 1 1 1   35 4  o 200.6094 4.009349 409.9821       16.35598  412.9753       
19.68014  403.2979       29.40996  201.2550 4.808728 198.5258 7.284942 
2.729202       8.728931 
1 1 1 1   35 5  o 209.8507 4.719195 449.0725       20.13862  457.3777       
26.49750  437.7143       30.98725  211.5645 6.159008 206.7444 7.370514 
4.820038       9.605096 
1 1 1 1   35 6  o 170.2042 4.311695 295.3488       14.92346  299.9776       
17.94577  284.9714       26.86999  171.4344 5.147694 166.6528 7.928727 
4.781631       9.453225 
1 1 1 1   35 7  o 204.2268 4.232483 425.2988       17.57759  426.8886       
21.10708  421.7013       31.75134  204.4796 5.076060 202.6901 7.703322 
1.789536       9.225375 
1 1 1 1   35 8  o 202.6935 8.056491 422.5170       33.20757  0.000000       
0.000000  422.5170       33.20757  ?        ?        202.6935 8.056491 
0.000000       8.056491 
1 1 1 1   35 9  o 111.7370 5.909197 128.1472       13.37920  119.9659       
16.28177  145.1577       23.47729  107.7942 7.473866 117.9926 9.875383 
-10.19840      12.38474 
1 1 1 1   35 10 o 109.4941 6.123398 123.2391       13.57971  133.7542       
16.20398  98.43011       24.88966  113.8912 7.030871 95.87917 13.10910 
18.01204       14.87554 
1 1 1 1   35 11 o 130.3200 5.780933 174.0295       15.32006  172.2032       
17.82521  179.1919       29.96862  129.2683 6.804925 130.3282 11.42304 
-1.059860      13.29635 
1 1 1 1   35 12 o 75.66704 12.42368 61.90508       18.45284  53.09984       
31.37691  66.56072       22.81548  67.89867 20.78087 77.56120 15.00808 
-9.662521      25.63371 
1 1 1 1   35 13 f 68.71838 12.61734 51.50654       16.98187  58.75034       
23.21419  43.16771       24.90707  72.16933 16.21360 61.60586 18.44124 
10.56347       24.55525 
1 1 1 1   35 14 o 49.18660 15.17555 26.55268       16.69457  19.28531       
23.01281  34.62616       24.25557  46.54591 17.65691 55.92891 18.40970 
-9.382996      25.50850 
1 1 1 1   35 15 o 66.64633 13.67548 49.58666       17.91267  64.42942       
25.50146  35.13119       25.16655  74.58453 17.16933 55.91977 18.76355 
18.66476       25.43338 
1 1 1 1   35 16 o 136.8265 8.204494 196.6069       22.72290  188.3844       
29.43077  208.7426       35.75452  132.2379 11.04557 137.8668 12.90329 
-5.628891      16.98528 
1 1 1 1   35 17 o 38.32664 14.87468 13.12226       16.58870  11.76568       
24.86814  14.20987       22.26677  41.88111 17.49401 41.74292 16.89620 
0.1381912      24.32122 
1 1 1 1   35 18 o 64.94234 14.71860 51.58502       18.98859  40.63186       
34.74954  56.24796       22.67301  54.62114 21.43563 66.20567 16.81016 
-11.58453      27.24092 
1 1 1 1   36 0  o 210.1484 4.277437 449.9853       18.27937  444.5213       
22.05147  461.9862       32.68048  208.7633 5.194360 212.4522 7.564424 
-3.688889      9.176159 
1 1 1 1   36 1  o 51.70703 9.924364 28.40082       10.05581  26.19696       
11.70935  34.59293       19.62731  49.38167 11.81815 56.71973 16.20767 
-7.338066      20.05884 
1 1 1 1   36 2  o 39.62550 10.41616 16.76389       8.503907  5.187496       
11.99661  28.45575       12.05629  31.25282 12.48884 51.46361 11.77528 
-20.21078      17.16474 
1 1 1 1   36 3  o 67.37221 7.157243 46.97338       9.655521  50.97876       
12.00574  39.63832       16.24684  69.95614 8.621858 60.57140 13.53140 
9.384743       16.04478 
1 1 1 1   36 4  o 183.2571 4.126005 342.2795       15.37595  334.6248       
18.59537  358.8265       27.34019  181.0888 5.049657 187.1814 7.182695 
-6.092621      8.780100 
1 1 1 1   36 5  o 206.4696 4.703438 434.9061       19.74799  445.5421       
25.85021  419.9991       30.60338  208.7420 6.089798 202.3911 7.435781 
6.350906       9.611269 
1 1 1 1   36 6  o 106.5397 5.466937 116.2827       11.80435  118.5503       
14.49949  111.8257       20.32796  107.3806 6.673134 103.6188 9.762336 
3.761757       11.82514 
1 1 1 1   36 7  o 19.87259 9.407233 -11.72560      10.10167  -21.08841      
12.61058  5.041115       16.87547  20.20389 9.805096 35.44650 14.57149 
-15.24261      17.56326 
1 1 1 1   36 8  o 120.7213 5.402713 149.0270       13.26316  153.8807       
16.08172  138.7039       23.45309  122.3507 6.486774 115.2341 10.11065 
7.116539       12.01264 
1 1 1 1   36 9  o 78.57941 8.953950 64.63400       14.05237  57.87698       
18.04454  75.04716       22.40059  73.29498 12.55836 83.30062 13.70033 
-10.00565      18.58525 
1 1 1 1   36 10 o 165.5231 4.884569 280.1279       16.44131  286.9080       
19.55156  263.7560       30.38168  167.3362 5.745663 159.1520 9.429496 
8.184174       11.04210 
1 1 1 1   36 11 o 216.5837 4.621869 479.5790       20.35611  494.0907       
23.91611  441.4262       38.77883  219.6301 5.354849 206.0978 9.252729 
13.53224       10.69053 
1 1 1 1   36 12 o 33.66768 13.73714 5.545145       14.85874  -2.735555      
19.03957  18.44518       23.76397  33.29028 14.61712 46.59248 17.87854 
-13.30220      23.09334 
1 1 1 1   36 13 o 103.3659 8.589138 111.7402       17.89068  99.70042       
24.12723  126.4461       26.66521  96.04426 12.66203 108.4916 12.30399 
-12.44735      17.65546 
1 1 1 1   36 14 o 84.13342 12.15082 76.78542       20.18618  85.80465       
32.82396  71.29953       25.59943  85.34241 19.35848 79.07387 16.45559 
6.268539       25.40742 
1 1 1 1   36 15 o 99.26553 9.105214 104.2545       18.17492  105.0693       
26.65065  103.5460       24.85015  97.26838 13.86615 97.08310 12.90725 
0.1852798      18.94379 
1 1 1 1   36 16 o 54.18509 15.37715 34.49123       17.73017  70.12133       
27.00727  7.503901       23.50455  75.97611 17.79322 39.80572 16.83896 
36.17039       24.49795 
1 1 1 1   36 17 o 53.89741 14.64431 35.02001       16.46845  42.62163       
24.73338  28.96582       22.07285  57.42391 18.57218 49.12494 17.51513 
8.298973       25.52853 
1 1 1 1   36 18 o 45.52254 16.11771 25.84641       18.66002  -20.93585      
34.34636  45.43739       22.22635  35.53929 16.97065 58.04615 17.43076 
-22.50686      24.32764 
1 1 1 1   37 0  f 176.4113 3.729940 317.0338       13.38073  303.6961       
18.62952  331.2471       19.23124  172.4913 5.311082 180.1536 5.249439 
-7.662292      7.467544 
1 1 1 1   37 1  o 239.3181 3.702341 583.4532       18.01786  606.1922       
25.99153  562.4166       24.99962  243.7019 5.244710 234.7389 5.237173 
8.962936       7.411813 
1 1 1 1   37 2  o 28.25693 10.64192 6.102255       8.322351  -2.564323      
11.83301  14.58547       11.70716  26.34426 11.54638 38.39042 12.79729 
-12.04616      17.23629 
1 1 1 1   37 3  o 183.8323 4.036000 344.4642       15.08775  343.0504       
18.15479  347.6208       27.12741  183.3511 4.869187 184.1659 7.243488 
-0.8148193     8.727949 
1 1 1 1   37 4  o 153.5493 5.056265 240.7238       15.78808  261.0089       
21.85082  218.5658       22.83725  159.6331 6.731215 145.7091 7.735069 
13.92404       10.25381 
1 1 1 1   37 5  o 240.2856 3.984593 588.6785       19.46988  587.3365       
23.09986  591.9707       36.18010  239.8750 4.735579 240.1430 7.408807 
-0.2680664     8.792959 
1 1 1 1   37 6  o 140.0300 4.648108 200.1812       13.23576  199.0248       
15.96925  202.7190       23.65624  139.4933 5.629626 140.0481 8.344331 
-0.5547791     10.06581 
1 1 1 1   37 7  o 95.62929 6.232153 94.10000       12.05315  102.4314       
14.95254  78.64192       20.36737  99.54697 7.440236 85.95838 11.97730 
13.58858       14.10010 
1 1 1 1   37 8  f 242.3277 4.182569 599.3474       20.61093  609.5933       
24.36015  573.5327       38.66696  244.2163 4.905168 235.8394 8.062546 
8.376923       9.437443 
1 1 1 1   37 9  o 155.1318 5.701299 246.5777       17.98564  245.2897       
23.30084  248.4763       28.29007  154.3162 7.425207 154.5884 9.038595 
-0.2722015     11.69743 
1 1 1 1   37 10 o 69.11610 8.998951 50.36708       12.34809  45.82975       
14.91354  60.25910       22.02030  65.09743 11.69580 73.62331 15.21130 
-8.525887      19.18789 
1 1 1 1   37 11 o 148.0473 5.351524 224.6642       16.11126  219.2828       
18.88105  239.0767       30.89909  146.0216 6.358545 150.8514 10.13147 
-4.829788      11.96152 
1 1 1 1   37 12 o 67.46779 12.21223 49.66623       16.13811  66.95126       
21.11008  25.35866       25.03373  77.94073 13.82534 50.66275 18.57215 
27.27798       23.15308 
1 1 1 1   37 13 o 84.54723 10.24864 76.13407       17.26041  82.63865       
24.23407  69.43723       24.58961  86.40778 14.29142 78.28287 15.98716 
8.124908       21.44374 
1 1 1 1   37 14 o 128.0196 8.595259 171.9088       22.24642  147.6192       
35.97246  186.9517       28.30908  114.4777 15.88018 132.4942 10.59561 
-18.01657      19.09050 
1 1 1 1   37 15 o 140.2358 7.141144 205.0867       20.29731  220.1213       
29.48415  191.5430       27.98403  143.4889 10.17049 133.6748 10.37590 
9.814133       14.52922 
1 1 1 1   37 16 o 34.96477 14.34234 7.703348       16.30486  14.24659       
25.32639  3.071779       21.30791  43.12633 17.80359 36.16913 15.67799 
6.957199       23.72272 
1 1 1 1   37 17 o 44.25259 15.17326 23.36460       16.46066  50.99508       
25.24847  2.939183       21.70832  61.48170 18.60412 35.45097 15.58589 
26.03072       24.27000 
1 1 1 1   37 18 o 27.94829 13.06703 -9.985371      18.45221  -56.69061      
34.75393  8.349041       21.77482  29.73598 14.78114 36.57495 15.85136 
-6.838963      21.67366 
1 1 1 1   38 0  o 41.09046 9.943633 18.12696       8.219032  14.07307       
11.39347  22.52553       11.86797  37.73000 12.62517 45.74569 12.43266 
-8.015690      17.71908 
1 1 1 1   38 1  o 115.1874 4.472528 135.3483       10.47634  153.0873       
15.05611  118.6983       14.58661  122.3375 6.052040 107.4463 6.709493 
14.89118       9.035734 
1 1 1 1   38 2  o 114.0638 4.480707 132.7359       10.39312  134.2025       
14.91928  131.3533       14.48646  114.3080 6.444581 113.1057 6.323671 
1.202354       9.028922 
1 1 1 1   38 3  o 69.65014 6.940500 50.22395       9.699323  49.29439       
11.83394  52.12645       16.92996  68.65296 8.669840 69.69799 12.39937 
-1.045029      15.12978 
1 1 1 1   38 4  o 108.4467 6.016617 120.7485       13.21638  117.3713       
18.24692  124.4756       19.16871  106.3999 8.504360 109.5505 8.675484 
-3.150642      12.14859 
1 1 1 1   38 5  o 74.26481 6.817416 57.05584       10.18072  51.83245       
12.48502  67.42160       17.58787  70.30897 8.933982 79.74178 11.15121 
-9.432816      14.28865 
1 1 1 1   38 6  o 103.8343 5.499281 110.6247       11.57038  118.2745       
14.34737  96.39584       19.56747  107.1616 6.616235 95.81895 10.19905 
11.34267       12.15710 
1 1 1 1   38 7  o 122.8764 5.595100 154.5998       13.98066  149.3831       
17.61042  163.4920       22.99197  120.2943 7.232628 125.3362 9.082475 
-5.041924      11.61044 
1 1 1 1   38 8  o 53.00275 10.73481 30.34857       11.17363  46.43494       
13.85324  0.4005098      18.90195  65.89433 10.70584 34.66033 14.89414 
31.23399       18.34259 
1 1 1 1   38 9  o 80.46681 8.650270 67.85609       13.93234  63.09697       
18.69029  73.80774       20.90119  76.35886 12.46692 82.56679 12.86779 
-6.207932      17.91659 
1 1 1 1   38 10 o 33.84945 12.86851 9.108107       12.24026  13.89250       
14.63196  -2.045031      22.34023  38.94481 14.21055 36.27848 15.88364 
2.666332       21.31266 
1 1 1 1   38 11 o 178.2687 4.984773 325.6143       18.07058  339.3614       
21.51113  292.6509       33.30993  181.7408 5.820489 166.8935 9.858589 
14.84732       11.44858 
1 1 1 1   38 12 o 38.88305 14.49791 13.42563       15.37067  6.882969       
20.34237  22.13144       23.46544  38.42562 15.91695 48.09859 17.91730 
-9.672970      23.96620 
1 1 1 1   38 13 o 37.90995 14.05932 13.00005       14.41652  12.04525       
17.97430  14.72206       24.13862  39.43824 15.43395 44.33509 17.71577 
-4.896854      23.49586 
1 1 1 1   38 14 o 122.0652 8.938584 157.3507       22.03340  151.2665       
37.24635  160.6260       27.32784  114.8590 16.41333 122.1121 11.12727 
-7.253113      19.82961 
1 1 1 1   38 15 o 62.27977 14.14929 44.98948       17.51224  54.22210       
25.13859  36.28458       24.40960  66.26167 18.13035 54.93898 18.47900 
11.32269       25.88789 
1 1 1 1   38 16 o 87.14719 15.27052 91.01848       26.07553  91.01848       
26.07553  0.000000       0.000000  87.14719 15.27052 ?        ?        
0.000000       15.27052 
1 1 1 1   38 17 o 20.35587 10.07012 -30.29748      15.41424  -32.85874      
23.29380  -28.30224      20.55943  26.53320 12.97533 25.32051 12.34032 
1.212690       17.90650 
1 1 1 1   39 0  o 156.0039 3.879005 248.1483       12.30573  266.4343       
17.47783  230.1725       17.32898  161.4500 5.323510 150.0068 5.680814 
11.44313       7.785332 
1 1 1 1   39 1  o 185.3849 3.755585 350.3720       14.15805  355.8112       
19.97843  344.8846       20.06687  186.5783 5.265613 183.6714 5.372626 
2.906876       7.522751 
1 1 1 1   39 2  o 159.7039 3.872060 260.0870       12.57503  244.5855       
17.74009  275.7421       17.82780  154.6190 5.642108 164.2250 5.338351 
-9.605988      7.767327 
1 1 1 1   39 3  o 154.9763 4.290627 245.1128       13.52189  240.9854       
16.31267  254.1765       24.17350  153.5284 5.224982 157.2026 7.561853 
-3.674179      9.191413 
1 1 1 1   39 4  o 125.0240 5.616179 159.9925       14.27861  158.6129       
19.94319  161.4435       20.45244  123.8246 7.962426 124.8931 8.096579 
-1.068588      11.35583 
1 1 1 1   39 5  o 120.3351 4.954696 148.0382       12.12441  153.7546       
14.88039  136.7474       20.91303  122.4854 5.974182 114.5936 9.048001 
7.891808       10.84238 
1 1 1 1   39 6  o 62.85088 9.647966 41.92633       11.93701  36.01553       
16.30472  48.75431       17.52412  57.10348 14.12030 66.78351 13.37016 
-9.680027      19.44593 
1 1 1 1   39 7  o 150.3591 5.115431 231.3831       15.64095  236.1563       
19.79894  223.4587       25.51040  151.6166 6.421607 146.6540 8.591546 
4.962662       10.72622 
1 1 1 1   39 8  o 110.4066 5.853256 125.4323       13.09454  122.3143       
15.79606  132.2823       23.41297  108.6936 7.187069 111.9928 10.39923 
-3.299232      12.64112 
1 1 1 1   39 9  o 48.88905 11.91735 26.27583       11.74038  42.85601       
14.49660  -5.326886      20.01400  62.73562 11.79621 33.06675 14.72922 
29.66887       18.87063 
1 1 1 1   39 10 o 71.50635 9.301936 54.22673       13.20574  57.43719       
15.59937  46.10654       24.80886  73.11794 10.81789 63.12235 18.27720 
9.995594       21.23871 
1 1 1 1   39 11 o 140.6376 5.654867 203.2754       16.17243  206.1633       
19.34802  196.5792       29.46185  141.3185 6.732652 136.0516 10.73615 
5.266937       12.67255 
1 1 1 1   39 12 o 145.4615 6.623978 218.5300       19.59379  212.1759       
25.06130  228.5216       31.42619  142.2885 8.703126 146.6445 10.61005 
-4.356049      13.72288 
1 1 1 1   39 13 o 176.7719 5.527921 321.6533       19.87131  330.1571       
23.88643  302.5410       35.80968  178.6411 6.575346 168.4913 10.50361 
10.14975       12.39198 
1 1 1 1   39 14 o 237.7371 6.824598 587.6924       32.99328  587.6924       
32.99328  0.000000       0.000000  237.7371 6.824598 ?        ?        
0.000000       6.824598 
1 1 1 1   39 15 o 36.97928 14.53152 11.68073       15.98969  20.60619       
24.89109  5.409768       20.86389  45.68917 18.07432 36.73662 15.71328 
8.952545       23.94970 
1 1 1 1   39 16 o 25.88057 12.08794 -10.58500      15.72597  -47.21115      
24.16546  16.31987       20.71165  25.02483 12.41984 40.82143 16.37522 
-15.79659      20.55238 
1 1 1 1   39 17 o 28.37939 12.72557 -1.284660      15.20697  23.62428       
22.73258  -21.45934      20.45853  43.63402 17.26920 26.40196 12.73410 
17.23206       21.45653 
1 1 1 1   40 0  o 70.04173 6.212256 50.67866       8.756430  41.17395       
12.00365  61.48933       12.80177  62.29103 9.799967 76.76531 8.334656 
-14.47428      12.86491 
1 1 1 1   40 1  o 86.48608 5.339381 76.80925       9.344569  78.37389       
12.98092  75.12631       13.46268  86.97485 7.410051 85.03860 7.874470 
1.936241       10.81278 
1 1 1 1   40 2  o 203.5634 3.717658 422.6218       15.38936  437.5995       
22.30158  409.0064       21.26320  206.8120 5.302840 199.9584 5.229230 
6.853653       7.447480 
1 1 1 1   40 3  o 52.25304 10.90952 29.51608       11.21797  24.93232       
15.85233  34.11404       15.87689  48.13366 14.77738 55.62921 14.03548 
-7.495544      20.38052 
1 1 1 1   40 4  o 100.2079 6.419847 103.5114       13.01332  85.55212       
17.92258  123.5369       18.92559  90.16698 9.939828 108.9466 8.612714 
-18.77958      13.15215 
1 1 1 1   40 5  o 121.2065 4.926432 150.2788       12.14255  153.5270       
14.87760  143.7982       21.01435  122.3350 5.980408 117.4621 8.862920 
4.872864       10.69190 
1 1 1 1   40 6  o 178.2309 4.305036 324.5704       15.60311  326.1896       
18.79887  320.9848       27.97462  178.4803 5.179525 176.2642 7.804563 
2.216095       9.366893 
1 1 1 1   40 7  o 146.1254 8.491153 222.2189       25.12274  0.000000       
0.000000  222.2189       25.12274  ?        ?        146.1254 8.491153 
0.000000       8.491153 
1 1 1 1   40 8  o 72.66556 8.135974 55.40356       11.81605  37.69468       
14.21282  95.03635       21.26238  58.55571 12.32593 94.27003 11.31764 
-35.71432      16.73372 
1 1 1 1   40 9  o 26.75935 11.51871 -0.1599058     11.34173  -4.753816      
13.99320  8.637094       19.36391  27.39260 12.25044 38.62962 15.71279 
-11.23701      19.92398 
1 1 1 1   40 10 o 68.01414 11.80818 50.51689       15.73937  50.51689       
15.73937  0.000000       0.000000  68.01414 11.80818 ?        ?        
0.000000       11.80818 
1 1 1 1   40 11 o 135.4420 5.983838 188.9684       16.48104  180.0644       
19.61026  210.3835       30.41226  131.5846 7.358181 140.5582 10.72085 
-8.973557      13.00305 
1 1 1 1   40 12 o 31.81810 13.60677 1.551413       15.63922  -27.74158      
20.86267  39.12825       23.62916  26.87601 12.93652 57.84695 18.08853 
-30.97094      22.23844 
1 1 1 1   40 13 o 89.44087 8.964321 85.09790       16.08494  80.51747       
19.65796  94.37731       27.97984  85.74980 11.56866 90.36919 15.80090 
-4.619392      19.58322 
1 1 1 1   40 14 o 110.9298 7.691109 129.8617       17.24243  125.7112       
20.51864  139.8360       31.80818  108.1564 9.423364 110.2491 14.54263 
-2.092743      17.32882 
1 1 1 1   40 15 o 110.0764 9.383485 131.8222       20.80383  162.6711       
28.47793  96.51909       30.46458  120.1489 11.80821 87.08992 17.80280 
33.05903       21.36290 
1 1 1 1   40 16 o 75.82197 10.88807 65.91233       16.30622  87.88947       
24.53949  48.53595       21.82025  83.89037 14.93205 59.89040 17.08064 
23.99997       22.68732 
1 1 1 1   40 17 o 30.50299 13.28151 3.977062       15.42920  -0.4101364     
23.48742  7.307485       20.46404  33.48587 15.32928 34.71703 15.20097 
-1.231163      21.58833 
1 1 1 1   41 0  o 93.20855 5.067099 89.14470       9.568232  87.06353       
13.19275  91.45426       13.89781  91.70288 7.130653 93.95305 7.332242 
-2.250168      10.22781 
1 1 1 1   41 1  o 116.3951 4.412061 138.4091       10.44306  131.4101       
14.62262  145.6949       14.91928  112.9438 6.392887 118.9896 6.187112 
-6.045822      8.896592 
1 1 1 1   41 2  o 140.8195 5.763710 203.3053       16.50504  0.000000       
0.000000  203.3053       16.50504  ?        ?        140.8195 5.763710 
0.000000       5.763710 
1 1 1 1   41 3  o 54.67374 10.52112 32.23339       11.27287  41.28546       
16.43824  24.19699       15.48860  61.18497 13.56740 47.33580 14.61924 
13.84917       19.94484 
1 1 1 1   41 4  o 202.9332 4.859604 421.3732       20.05420  375.3340       
25.82243  491.3420       31.83359  191.0037 6.648195 218.3286 7.170072 
-27.32486      9.777956 
1 1 1 1   41 5  o 135.1140 4.692777 186.7669       12.89383  192.3767       
15.75072  175.3702       22.44989  136.9378 5.656211 129.7388 8.557340 
7.199020       10.25772 
1 1 1 1   41 6  o 90.87113 6.340786 85.35984       11.64367  88.17397       
14.42182  80.09116       19.73324  91.98897 7.782625 86.39951 11.51837 
5.589455       13.90116 
1 1 1 1   41 7  o 73.35474 7.916284 56.40234       11.62150  39.02549       
14.40791  88.76067       19.66113  59.55893 12.30321 91.19418 10.81267 
-31.63525      16.37934 
1 1 1 1   41 8  o 111.7367 6.918986 129.4709       15.64400  118.6973       
20.41605  144.7932       24.34747  106.0218 9.572709 116.8218 10.35629 
-10.80001      14.10282 
1 1 1 1   41 9  o 101.1671 6.604508 106.1249       13.51268  134.3222       
16.78376  54.17237       22.78188  113.6309 7.302088 68.46159 16.54745 
45.16934       18.08698 
1 1 1 1   41 10 o 26.41582 12.19867 -10.49223      15.33237  -10.49223      
15.33237  0.000000       0.000000  26.41582 12.19867 ?        ?        
0.000000       12.19867 
1 1 1 1   41 11 o 192.5148 5.083580 380.7664       19.90147  377.7719       
23.77933  387.7680       36.36166  191.3166 6.112171 191.9536 9.315284 
-0.6370087     11.14151 
1 1 1 1   41 12 o 159.0978 6.432877 262.1832       20.81233  261.3609       
26.69794  263.4570       33.22837  157.6559 8.357368 156.8223 10.47991 
0.8336487      13.40426 
1 1 1 1   41 13 o 32.21555 13.34830 5.166265       14.31228  8.315778       
17.71059  -0.7621533     24.29857  36.42733 14.94569 36.93658 16.35260 
-0.5092583     22.15358 
1 1 1 1   41 14 o 109.1153 7.520571 126.1389       16.58548  132.3342       
19.54228  110.1855       31.35973  111.0123 8.727058 94.76954 16.89177 
16.24281       19.01298 
1 1 1 1   41 15 o 51.23787 16.27102 33.87413       19.05028  29.64199       
24.43332  40.43572       30.42335  48.27752 18.22246 53.70436 20.31867 
-5.426846      27.29297 
1 1 1 1   41 16 o 30.58122 13.22628 4.081610       15.09707  -6.074623      
23.27700  11.45607       19.83471  32.05052 14.88125 36.60993 15.47683 
-4.559414      21.47054 
1 1 1 1   42 0  o 77.67312 5.904530 62.27659       9.256432  65.36526       
13.13440  59.22880       13.04718  79.02699 8.296859 75.07444 8.707917 
3.952545       12.02770 
1 1 1 1   42 1  o 156.8519 3.955693 251.2359       12.61722  244.0747       
17.72477  258.5923       17.96454  154.2539 5.650582 158.7965 5.563188 
-4.542648      7.929573 
1 1 1 1   42 2  o 153.3864 4.615005 240.6592       14.39495  239.9996       
25.53004  240.9666       17.42981  151.9527 8.293480 153.2696 5.592230 
-1.316971      10.00274 
1 1 1 1   42 3  o 95.82970 6.699885 95.03435       12.97411  63.20210       
18.04533  129.0968       18.66678  76.45262 12.00235 111.2768 8.309166 
-34.82420      14.59790 
1 1 1 1   42 4  o 121.7214 4.903543 151.7394       12.13747  161.9632       
15.20139  133.7585       20.15966  125.5405 5.954534 113.0494 8.839629 
12.49116       10.65812 
1 1 1 1   42 5  o 154.4043 4.527197 243.9770       14.21478  247.8452       
17.35829  236.1018       24.76747  155.3871 5.493391 150.6161 8.116426 
4.771027       9.800700 
1 1 1 1   42 6  o 65.55254 8.707228 45.51659       11.31984  37.35983       
14.55698  57.99401       18.00424  58.05740 12.68465 72.71816 12.63378 
-14.66076      17.90287 
1 1 1 1   42 7  o 87.26700 6.763550 79.13664       11.90887  83.29065       
14.87395  71.71815       19.87698  89.06509 8.308261 80.99817 12.46754 
8.066917       14.98221 
1 1 1 1   42 8  o 27.70082 12.10968 -1.507270      12.94155  -0.1477286     
17.88001  -3.003227      18.75561  33.05028 14.34386 32.59187 14.40105 
0.4584045      20.32576 
1 1 1 1   42 9  o 52.32020 13.51804 30.91798       14.48514  15.48835       
19.94639  48.13480       21.06993  42.35058 16.34580 64.39659 16.12552 
-22.04601      22.96122 
1 1 1 1   42 10 o 219.4053 5.642420 495.9221       25.17468  495.9221       
25.17468  0.000000       0.000000  219.4053 5.642420 ?        ?        
0.000000       5.642420 
1 1 1 1   42 11 o 133.7012 6.066411 184.7885       16.49372  210.2950       
20.36649  136.1802       28.11547  142.2259 7.041841 111.2058 12.65829 
31.02004       14.48516 
1 1 1 1   42 12 o 28.43069 12.56213 -2.145389      14.27075  2.828157       
17.63804  -11.57232      24.28300  33.69744 14.43134 33.52045 15.43383 
0.1769829      21.12976 
1 1 1 1   42 13 o 31.05068 13.19437 3.199458       14.53689  -6.789644      
17.80055  23.20077       25.18834  29.51770 13.44825 46.94094 18.29807 
-17.42324      22.70848 
1 1 1 1   42 14 o 40.76810 14.23080 19.04145       14.51057  14.52555       
16.84412  32.03699       28.57412  38.41816 14.96683 50.44529 19.53773 
-12.02713      24.61156 
1 1 1 1   42 15 o 43.49786 14.03584 23.68864       14.13266  23.15350       
15.97992  25.61013       30.28026  42.95366 14.93731 45.76620 19.22283 
-2.812538      24.34420 
1 1 1 1   42 16 o 33.78874 12.87535 12.72436       12.27116  14.91788       
14.94136  8.178672       21.50898  36.07008 14.08390 35.13383 15.47823 
0.9362564      20.92682 
1 1 1 1   43 0  o 83.15546 6.552759 71.66778       10.99089  73.94146       
19.62875  70.62932       13.26547  82.69926 12.02406 82.15527 8.043458 
0.5439911      14.46635 
1 1 1 1   43 1  o 90.76948 6.138541 85.13492       11.26409  68.61497       
18.85429  94.30379       14.04636  79.59747 12.02291 95.24570 7.307875 
-15.64823      14.06967 
1 1 1 1   43 2  o 129.5950 4.927535 172.0903       12.98582  176.2816       
23.05488  170.1427       15.71597  129.8041 8.785935 128.6185 6.008778 
1.185593       10.64416 
1 1 1 1   43 3  o 140.8123 5.457922 203.5806       15.62857  198.2885       
21.90042  209.0724       22.30953  138.0541 7.833294 141.7966 7.766543 
-3.742523      11.03085 
1 1 1 1   43 4  o 65.14221 7.984396 44.69574       10.35541  37.73543       
12.96763  56.94668       17.20407  58.78616 11.25756 72.20109 12.14892 
-13.41492      16.56288 
1 1 1 1   43 5  o 74.39725 7.140083 57.79743       10.66950  66.45033       
13.93303  45.52916       16.59038  79.31099 8.786587 63.93798 13.19738 
15.37301       15.85481 
1 1 1 1   43 6  o 76.50124 7.699634 61.39928       11.81540  66.98366       
15.12374  52.65190       18.92827  79.29899 9.572275 68.40633 14.07648 
10.89265       17.02280 
1 1 1 1   43 7  o 98.81809 6.351357 101.2638       12.69544  104.1424       
15.68164  95.78870       21.62698  99.73368 7.794057 94.02430 11.55422 
5.709381       13.93727 
1 1 1 1   43 8  o 93.61623 8.015440 92.08736       15.11199  97.19656       
20.76790  86.33769       22.03117  94.90804 10.96231 88.59092 12.58279 
6.317116       16.68828 
1 1 1 1   43 9  o 34.93099 13.08957 10.79794       12.56015  7.706052       
15.64855  16.39676       21.05769  35.05293 14.17275 43.19532 16.76042 
-8.142391      21.94946 
1 1 1 1   43 10 o 88.76112 9.981650 84.68710       17.70423  84.68710       
17.70423  0.000000       0.000000  88.76112 9.981650 ?        ?        
0.000000       9.981650 
1 1 1 1   43 11 o 55.68689 12.65636 35.29667       14.00708  37.04578       
17.46964  32.14799       23.43895  56.14441 15.01119 52.42640 18.09861 
3.718010       23.51373 
1 1 1 1   43 12 o 85.45898 8.918741 78.56348       15.27096  68.75938       
18.45775  99.83447       27.18748  78.21777 11.98645 92.23956 15.01060 
-14.02180      19.20919 
1 1 1 1   43 13 o 71.49109 11.80805 58.38360       16.56714  50.15329       
20.22321  75.17792       28.88839  63.51778 15.73748 75.27257 18.89998 
-11.75479      24.59426 
1 1 1 1   43 14 o 53.01448 13.36563 34.55855       14.40534  37.40996       
16.46346  25.24498       29.75427  54.34873 14.59003 46.20044 19.20303 
8.148293       24.11691 
1 1 1 1   43 15 o 49.22076 13.59038 31.27865       14.05051  26.22544       
15.86821  49.62231       30.23342  44.38342 14.89931 54.34983 20.31960 
-9.966412      25.19674 
1 1 1 1   44 0  o 121.2999 5.210203 151.0337       12.85188  149.5968       
22.97346  151.6883       15.50507  119.0456 9.570788 121.1362 6.316188 
-2.090622      11.46709 
1 1 1 1   44 1  o 153.3713 4.769410 241.1064       14.87511  279.5483       
27.10693  224.5421       17.79357  163.8961 8.133178 147.6877 5.924714 
16.20842       10.06235 
1 1 1 1   44 2  o 113.9892 5.323895 133.4712       12.34084  144.7499       
22.73708  128.7610       14.69347  117.0043 9.641973 111.4992 6.508675 
5.505157       11.63316 
1 1 1 1   44 3  o 65.86441 7.835596 45.70384       10.28886  38.80431       
13.14064  56.63520       16.54033  59.52317 11.26887 72.03996 11.69145 
-12.51679      16.23815 
1 1 1 1   44 4  o 180.3549 4.325871 333.1236       15.86547  368.9728       
19.95188  271.4713       26.16492  189.5177 5.177051 161.4310 7.970417 
28.08676       9.504178 
1 1 1 1   44 5  f 32.39303 11.69693 9.769858       9.876082  15.93948       
12.88480  0.9825217      15.37720  39.25957 13.42461 31.28922 13.43935 
7.970356       18.99570 
1 1 1 1   44 6  o 39.86856 12.31248 17.32989       10.98649  -5.424648      
14.10133  52.47690       17.52549  27.01812 12.17285 68.50026 13.05799 
-41.48214      17.85188 
1 1 1 1   44 7  o 36.49053 12.52311 13.64137       11.21402  14.62289       
14.24071  12.03928       18.19384  38.71409 14.03556 39.21512 15.47184 
-0.5010262     20.88959 
1 1 1 1   44 8  f 34.11310 12.88492 10.09030       12.22142  -0.8029236     
15.57799  27.52714       19.70912  30.46964 13.30396 49.45078 16.60486 
-18.98114      21.27714 
1 1 1 1   44 9  o 93.69014 7.467006 92.16511       14.10816  79.86975       
17.00235  119.3451       25.27917  86.15334 9.883619 104.1566 12.16419 
-18.00330      15.67334 
1 1 1 1   44 10 o 54.75172 15.12426 35.30933       17.39662  35.30933       
17.39662  0.000000       0.000000  54.75172 15.12426 ?        ?        
0.000000       15.12426 
1 1 1 1   44 11 o 37.41232 13.93038 13.70212       14.18125  12.21260       
17.70604  16.36730       23.68432  38.28127 15.21228 43.27100 17.45688 
-4.989738      23.15505 
1 1 1 1   44 12 o 25.02163 11.57032 -8.312610      13.86189  -18.25736      
16.55801  14.98664       25.34441  24.54735 11.73883 42.54018 17.70575 
-17.99283      21.24368 
1 1 1 1   44 13 o 20.79111 10.22635 -26.93572      15.13257  -26.01347      
17.76128  -29.37813      28.90401  23.47379 11.44678 30.99022 14.99308 
-7.516436      18.86323 
1 1 1 1   44 14 o 33.54382 13.46132 10.70367       14.00259  13.66436       
15.85682  0.2187186      29.84025  36.12051 14.38262 36.81565 17.00713 
-0.6951408     22.27336 
1 1 1 1   44 15 o 36.16019 13.60232 16.09790       13.58885  21.99705       
15.33747  -5.438123      29.30503  40.42862 14.57998 33.81000 16.01004 
6.618614       21.65403 
1 1 1 1   45 0  o 69.25035 7.755188 50.50488       10.73360  68.63120       
18.30545  41.00724       13.25054  79.30830 11.70195 61.21558 11.05103 
18.09272       16.09536 
1 1 1 1   45 1  o 46.07978 11.27481 23.54534       10.47862  7.672758       
18.22456  31.38417       12.80735  36.99294 15.16744 53.04016 12.13688 
-16.04722      19.42563 
1 1 1 1   45 2  o 173.8479 4.567929 309.9337       16.14880  303.0294       
28.32094  313.2601       19.65767  170.3118 8.177330 174.4287 5.541951 
-4.116989      9.878358 
1 1 1 1   45 3  o 177.1253 4.568963 321.7989       16.45696  321.3278       
20.89768  322.5679       26.70231  176.5166 5.821853 176.0644 7.458062 
0.4522247      9.461325 
1 1 1 1   45 4  f 55.88048 9.526365 33.80563       10.43705  32.18671       
13.40706  36.29586       16.62804  53.48879 12.54329 56.21021 14.46324 
-2.721424      19.14470 
1 1 1 1   45 5  o 174.2204 4.469744 311.3832       15.83555  314.9477       
19.44142  304.3563       27.29671  174.8293 5.468424 170.6613 7.865457 
4.168060       9.579618 
1 1 1 1   45 6  o 90.69975 6.800046 85.88332       12.45079  86.96346       
15.68514  84.04330       20.47204  90.56736 8.620592 87.50040 11.80682 
3.066956       14.61901 
1 1 1 1   45 7  o 67.65699 9.277110 49.23570       12.42761  50.47696       
15.81782  47.23372       20.08848  67.36043 11.98690 63.38455 15.67323 
3.975876       19.73159 
1 1 1 1   45 8  o 40.00758 13.10306 17.43452       12.29320  35.31134       
15.86025  -9.467147      19.45603  55.22525 14.07998 30.39598 13.92838 
24.82927       19.80519 
1 1 1 1   45 9  o 65.41069 10.62918 47.11876       13.65299  51.37176       
16.94713  39.25399       23.04580  67.25011 12.86099 56.69823 17.88461 
10.55188       22.02872 
1 1 1 1   45 10 o 68.50175 13.16374 54.01851       17.67091  54.01851       
17.67091  0.000000       0.000000  68.50175 13.16374 ?        ?        
0.000000       13.16374 
1 1 1 1   45 11 o 74.30138 10.04045 60.99569       14.78202  56.71278       
18.19595  69.30811       25.34948  69.58328 13.34485 74.05829 17.16712 
-4.475006      21.74385 
1 1 1 1   45 12 o 37.64380 13.78570 15.48282       13.78803  15.58777       
16.23995  15.21183       26.09580  38.54597 14.78234 41.95906 17.74600 
-3.413094      23.09628 
1 1 1 1   45 13 f 72.56660 11.06922 61.45716       15.81734  73.12655       
19.25629  37.25195       27.73340  77.86343 12.59130 50.19833 19.30180 
27.66510       23.04561 
1 1 1 1   45 14 f 36.55663 15.02309 14.82065       17.93064  2.224306       
21.78543  41.27338       31.57032  32.86168 14.93530 48.80590 19.98132 
-15.94422      24.94627 
1 1 1 1   46 0  o 82.94804 5.934942 71.41565       9.944779  61.94039       
13.89160  81.37643       14.24307  76.13849 9.155719 87.84332 8.063404 
-11.70483      12.20023 
1 1 1 1   46 1  o 30.95029 11.10568 9.043344       8.887495  6.007051       
12.35232  12.30224       12.79711  31.31930 12.61688 36.14314 13.27427 
-4.823837      18.31371 
1 1 1 1   46 2  o 79.91815 6.128478 66.43382       9.883901  68.99819       
14.07186  63.93679       13.88589  80.54847 8.730742 77.40498 8.989099 
3.143494       12.53115 
1 1 1 1   46 3  o 70.19095 7.532384 51.97142       10.58332  50.88242       
13.41973  53.76299       17.21265  68.56351 9.912738 69.26478 12.68793 
-0.7012711     16.10112 
1 1 1 1   46 4  o 197.0231 4.389057 398.3669       17.58489  407.4643       
21.59936  380.4831       30.28383  198.8186 5.342350 190.6521 7.811201 
8.166534       9.463380 
1 1 1 1   46 5  o 111.7717 5.939494 129.5936       13.45151  116.8945       
17.10787  150.1582       21.77059  105.2618 8.053440 118.8113 9.079488 
-13.54950      12.13651 
1 1 1 1   46 6  o 101.8453 6.308540 107.9919       13.00104  95.70544       
16.28078  129.6164       21.59906  94.93450 8.524184 109.8915 9.767208 
-14.95698      12.96380 
1 1 1 1   46 7  o 23.83936 11.17588 -11.83999      13.65369  10.67738       
19.90109  -31.86461      18.76723  39.01726 15.90648 23.78458 11.63445 
15.23268       19.70727 
1 1 1 1   46 8  o 28.08066 12.10167 0.7610997      12.54858  -5.098799      
15.96361  10.23774       20.30080  28.66481 12.92980 38.84126 15.97629 
-10.17645      20.55290 
1 1 1 1   46 9  o 94.29031 7.904851 94.52419       15.01710  109.0907       
18.48832  66.27992       25.74450  100.6251 9.134784 72.77675 17.59056 
27.84833       19.82100 
1 1 1 1   46 10 o 28.27575 12.51132 -1.344480      14.20449  -9.743092      
16.82697  19.47856       26.49562  27.38434 12.69275 44.89162 18.33344 
-17.50728      22.29845 
1 1 1 1   46 11 o 37.80923 14.03311 15.40545       14.36847  13.50294       
17.27852  19.67039       25.87024  37.73423 15.01721 43.81219 18.02970 
-6.077957      23.46459 
1 1 1 1   46 12 o 47.59450 13.80223 28.62098       14.13798  31.38567       
16.44867  20.80205       27.66187  49.04602 15.05198 43.31746 18.29289 
5.728565       23.68949 
1 1 1 1   46 13 o 60.41049 12.85970 46.09718       15.31304  44.05514       
17.80853  51.89043       29.99553  56.70211 15.15430 54.50378 20.26657 
2.198330       25.30586 
1 1 1 1   46 14 o 37.21447 15.02290 18.06297       17.55212  30.61711       
21.55334  -6.655241      30.24333  43.86181 16.97397 33.06373 15.82565 
10.79808       23.20705 
1 1 1 1   47 0  o 96.67957 5.455965 96.76212       10.68267  113.7273       
15.17557  80.09760       15.04049  104.1680 7.208379 86.75017 8.640882 
17.41780       11.25280 
1 1 1 1   47 1  o 72.17181 6.823525 54.66328       9.895664  62.00497       
13.64708  46.52311       14.37006  76.07487 8.995742 64.78955 11.31889 
11.28532       14.45824 
1 1 1 1   47 2  o 43.08686 10.56521 20.70347       9.186173  19.86928       
12.72684  21.61077       13.27277  42.18169 13.28897 43.76954 13.53571 
-1.587852      18.96872 
1 1 1 1   47 3  o 105.5643 5.727051 115.5761       12.24818  107.0103       
15.36293  130.5181       20.29047  100.8368 7.546823 110.5949 9.102896 
-9.758072      11.82443 
1 1 1 1   47 4  o 50.52993 11.08154 28.59566       11.07330  17.11413       
14.00834  47.71990       18.07918  40.14129 13.98403 64.08955 14.24171 
-23.94826      19.95944 
1 1 1 1   47 5  o 50.88964 11.52432 29.21595       11.64901  40.31976       
15.42648  14.48360       17.76916  59.25417 13.14634 39.89691 15.41974 
19.35726       20.26314 
1 1 1 1   47 6  o 52.75084 11.40240 31.36728       11.87481  35.97779       
15.16662  24.06366       19.08902  55.65251 13.53234 46.29896 16.31165 
9.353550       21.19420 
1 1 1 1   47 7  o 52.79983 13.68716 32.66861       14.81765  16.24870       
21.54465  47.40722       20.41186  42.30894 16.79066 62.48404 15.99608 
-20.17510      23.19053 
1 1 1 1   47 8  o 101.6154 7.213340 109.0739       14.80867  117.5899       
18.26273  92.72519       25.30409  104.6805 8.656919 88.83983 14.50737 
15.84067       16.89396 
1 1 1 1   47 9  o 75.53901 9.894927 63.03895       14.83423  64.79301       
18.04317  59.38033       26.05841  75.10104 12.23584 66.96764 18.51519 
8.133400       22.19297 
1 1 1 1   47 10 o 45.95800 14.02044 25.84365       14.29717  36.95064       
16.99898  -1.006816      26.43020  54.23194 14.93800 36.42027 16.51323 
17.81167       22.26725 
1 1 1 1   47 11 o 41.75815 14.85856 21.53483       15.87727  36.67036       
20.21846  -2.814345      25.64434  51.75974 16.79689 34.63504 15.91496 
17.12470       23.13917 
1 1 1 1   47 12 o 21.41783 10.32344 -15.31496      13.39417  -17.73115      
15.70142  -8.857829      25.66810  22.95216 11.09126 31.99832 15.10089 
-9.046162      18.73640 
1 1 1 1   47 13 o 25.63203 11.60198 -1.024971      12.98296  0.3294885      
14.47181  -6.610266      29.38752  27.32985 12.32080 32.91823 15.71316 
-5.588377      19.96761 
1 1 1 1   48 0  o 88.07148 6.092788 80.87323       10.84490  77.22519       
14.95953  84.91420       15.74458  84.92828 8.789107 89.08392 8.806528 
-4.155632      12.44200 
1 1 1 1   48 1  o 86.79756 6.181610 78.62648       10.83961  94.00352       
15.13449  62.43050       15.53228  94.16916 7.978283 75.51190 10.39028 
18.65726       13.10004 
1 1 1 1   48 2  o 76.86206 6.519917 61.93319       10.09464  59.26720       
13.92565  64.88540       14.65414  73.96673 9.476099 77.42261 9.507465 
-3.455879      13.42343 
1 1 1 1   48 3  o 35.66325 12.38846 13.24605       10.99026  7.146923       
13.74511  24.05707       18.29987  32.83161 13.27997 46.08350 15.98717 
-13.25188      20.78334 
1 1 1 1   48 4  o 188.8767 4.608941 367.2970       17.70235  351.8500       
21.57544  399.1172       30.96625  184.2198 5.759329 194.6223 7.824286 
-10.40245      9.715418 
1 1 1 1   48 5  o 94.44108 6.975132 93.85971       13.30089  85.20033       
17.38595  106.0804       20.65399  88.50378 9.826040 98.42886 10.48001 
-9.925087      14.36599 
1 1 1 1   48 6  o 74.09136 8.490437 59.06917       12.56141  66.72288       
16.05548  46.99120       20.16901  77.77611 10.41274 61.94180 15.92408 
15.83431       19.02634 
1 1 1 1   48 7  o 50.51419 14.22990 30.63534       15.24148  32.57957       
21.43843  28.64835       21.67289  51.19485 17.31739 48.72752 17.35760 
2.467331       24.51894 
1 1 1 1   48 8  o 44.41641 13.64547 23.52380       13.51420  23.89334       
16.66377  22.81374       23.09900  44.69862 15.26694 45.10851 17.53971 
-0.4098892     23.25340 
1 1 1 1   48 9  o 21.19832 10.27964 -19.38144      13.78813  -21.18167      
16.23157  -14.71557      26.13140  23.18811 11.22255 32.39695 15.27298 
-9.208845      18.95282 
1 1 1 1   48 10 o 80.27058 9.460870 72.32631       15.14662  68.90955       
17.73677  81.52965       29.10984  76.44694 11.78840 75.19699 19.02258 
1.249947       22.37912 
1 1 1 1   48 11 o 52.07898 14.81060 36.68253       16.42988  23.65034       
20.22108  62.00026       28.18434  42.12977 16.40258 61.43538 19.82095 
-19.30560      25.72770 
1 1 1 1   48 12 o 26.19841 11.83807 -0.6469657     13.45002  1.834086       
15.36452  -8.783003      27.82324  28.59984 12.81019 31.92270 15.25217 
-3.322855      19.91807 
1 1 1 1   48 13 o 31.90061 12.90767 11.90337       12.98988  8.956869       
14.61801  22.96436       28.32252  30.74962 13.15257 38.67852 17.35371 
-7.928900      21.77479 
1 1 1 1   49 0  o 152.0445 4.536749 238.0717       14.02707  234.2889       
19.49447  242.1328       20.19881  149.8959 6.395437 152.3090 6.521518 
-2.413086      9.134102 
1 1 1 1   49 1  o 51.36814 10.12578 29.38054       10.20125  32.68992       
13.92579  25.54809       14.98596  52.99118 13.01712 46.67505 14.37427 
6.316139       19.39240 
1 1 1 1   49 2  o 25.49544 10.80281 1.627242       9.698894  -15.04919      
13.37649  20.11291       14.08342  22.31894 10.63914 42.14724 14.03544 
-19.82830      17.61207 
1 1 1 1   49 3  o 70.86126 8.197694 53.89260       11.59468  53.88828       
14.27756  53.90099       19.86985  69.80015 10.37433 67.08672 14.94742 
2.713425       18.19484 
1 1 1 1   49 4  o 61.14112 10.04360 41.41814       12.05374  28.50625       
15.40727  61.78919       19.35253  48.85352 14.47701 72.76327 13.57842 
-23.90975      19.84836 
1 1 1 1   49 5  o 28.52087 11.88093 3.825752       11.42576  1.672635       
14.75306  7.052728       18.06119  30.24003 13.07672 35.31971 14.84112 
-5.079678      19.78028 
1 1 1 1   49 6  o 111.8085 6.341399 131.3654       14.35885  129.9278       
17.75486  134.0831       24.41221  110.1640 7.979550 109.4031 11.12793 
0.7609787      13.69321 
1 1 1 1   49 7  o 58.29319 11.95053 39.67056       13.69057  43.96776       
17.29273  32.45390       22.40988  59.80397 14.39326 50.09763 17.67108 
9.706348       22.79108 
1 1 1 1   49 8  o 53.63982 12.84125 34.84719       13.82101  27.99504       
16.76387  49.38944       24.42173  46.92684 15.29798 59.35312 18.36161 
-12.42627      23.89931 
1 1 1 1   49 9  o 88.21778 9.861682 88.16338       17.38855  88.16338       
17.38855  0.000000       0.000000  88.21778 9.861682 ?        ?        
0.000000       9.861682 
1 1 1 1   49 10 o 48.01382 13.84904 30.36290       14.26847  49.34784       
16.91436  -16.48361      26.56989  61.74002 13.81708 30.73643 14.74377 
31.00360       20.20620 
1 1 1 1   49 11 o 97.44089 8.828563 108.8075       17.30378  107.3236       
20.77240  112.1718       31.27684  93.83863 11.10072 84.04869 18.77338 
9.789940       21.80977 
1 1 1 1   49 12 f 30.94920 13.62637 7.733389       16.64559  7.733389       
16.64559  0.000000       0.000000  30.94920 13.62637 ?        ?        
0.000000       13.62637 
1 1 1 1   50 0  o 41.30098 11.83881 19.63383       10.45618  20.29446       
13.89384  18.77098       15.87867  41.99204 13.93860 41.23307 14.83921 
0.7589684      20.35895 
1 1 1 1   50 1  o 58.77399 9.155354 37.92981       10.58601  42.35395       
14.57835  32.99488       15.39694  60.54045 12.26197 52.38297 14.12947 
8.157475       18.70823 
1 1 1 1   50 2  o 57.88098 10.47884 37.64715       11.87981  45.70244       
14.39783  20.46590       21.02732  63.26955 11.61870 43.64740 16.80067 
19.62215       20.42686 
1 1 1 1   50 3  o 55.35981 10.54824 34.62040       11.44121  30.83717       
14.30196  41.34499       19.06764  50.73079 13.59004 57.49408 15.81438 
-6.763287      20.85147 
1 1 1 1   50 4  o 89.07835 7.329556 84.56676       13.15923  75.52158       
16.88361  98.56529       21.00381  82.34438 10.30868 93.43406 11.28302 
-11.08968      15.28317 
1 1 1 1   50 5  o 102.3757 6.612140 110.8565       13.69188  111.6078       
17.12839  109.5265       22.78779  101.5604 8.368047 97.91635 11.67465 
3.644035       14.36390 
1 1 1 1   50 6  o 56.27412 13.37286 38.57439       15.07754  28.61392       
20.82371  49.55061       21.85973  47.26561 16.99527 60.98422 16.99328 
-13.71861      24.03354 
1 1 1 1   50 7  o 85.57590 8.284379 80.17858       14.23614  72.68128       
17.52958  94.70242       24.39831  79.21500 11.19393 87.56087 14.18792 
-8.345863      18.07211 
1 1 1 1   50 8  o 57.95011 12.21748 40.90472       13.94393  47.11767       
17.09413  28.54995       24.10547  60.64800 14.12378 45.62727 17.86864 
15.02073       22.77651 
1 1 1 1   50 9  o 28.75642 12.92325 0.2389335      15.77615  0.2389335      
15.77615  0.000000       0.000000  28.75642 12.92325 ?        ?        
0.000000       12.92325 
1 1 1 1   50 10 o 28.35367 12.79567 1.015330       15.65622  1.015330       
15.65622  0.000000       0.000000  28.35367 12.79567 ?        ?        
0.000000       12.79567 
1 1 1 1   50 11 f 104.4373 8.163251 125.3358       17.19900  125.2154       
20.05118  125.6711       33.45729  101.8819 9.798993 83.41798 19.98558 
18.46396       22.25857 
1 1 1 1   50 12 o 37.50425 14.03682 21.86890       14.43528  24.64787       
16.97860  14.62099       27.41990  38.53392 15.02242 34.41266 16.03557 
4.121262       21.97300 
1 1 1 1   51 0  o 72.47706 7.833402 56.64652       11.36159  64.15409       
15.46569  47.84448       16.74600  75.68005 10.31824 63.20232 13.44288 
12.47773       16.94630 
1 1 1 1   51 1  f 63.50120 8.695491 44.21414       10.93367  39.80877       
15.73661  48.32545       15.20232  57.30550 13.69136 64.43636 12.04471 
-7.130863      18.23536 
1 1 1 1   51 2  o 22.97651 10.57187 -6.147135      11.36717  -0.1471440     
13.78487  -18.89621      20.09402  28.15901 12.39904 27.21727 12.99224 
0.9417324      17.95924 
1 1 1 1   51 3  o 20.20108 9.644382 -12.44485      11.08061  -4.688005      
13.76519  -26.72340      18.67591  26.05141 11.85238 24.14097 11.76458 
1.910440       16.69983 
1 1 1 1   51 4  o 34.22956 12.93053 11.96356       12.30905  19.67360       
16.55731  2.437733       18.40402  40.99305 15.09247 32.60552 14.34246 
8.387527       20.82039 
1 1 1 1   51 5  o 44.16819 12.76484 23.86155       12.11117  25.56947       
15.28290  20.97826       19.85709  44.95413 14.60427 42.06309 16.28831 
2.891037       21.87678 
1 1 1 1   51 6  o 29.57887 12.89710 2.663557       14.59447  26.53598       
20.22235  -23.28657      21.08400  44.78508 16.64297 26.36181 12.76629 
18.42327       20.97538 
1 1 1 1   51 7  o 49.63860 15.09044 33.44678       16.58378  33.44678       
16.58378  0.000000       0.000000  49.63860 15.09044 ?        ?        
0.000000       15.09044 
1 1 1 1   51 8  o 29.11447 12.53589 4.826700       13.44066  19.59064       
16.19929  -27.79243      24.07859  38.83105 14.79410 26.73849 13.10032 
12.09256       19.76066 
1 1 1 1   51 9  o 27.02368 12.35869 -1.227859      15.21408  -1.227859      
15.21408  0.000000       0.000000  27.02368 12.35869 ?        ?        
0.000000       12.35869 
1 1 1 1   51 10 o 24.31460 11.24893 -2.927958      13.12634  -3.819680      
15.13668  -0.2238129     26.35911  25.44415 11.87577 31.69922 15.06065 
-6.255074      19.17960 
1 1 1 1   51 11 o 59.74620 13.19657 51.28482       15.60539  49.34788       
18.62090  55.85513       28.60321  53.96724 15.89473 47.81768 19.22177 
6.149559       24.94231 
1 1 1 1   52 0  o 25.90966 11.14336 1.669734       10.59672  -0.5245648E-01 
15.00876  3.381532       14.96341  28.93764 12.82962 30.51667 13.18301 
-1.579035      18.39540 
1 1 1 1   52 1  o 86.68206 6.808648 80.33940       11.90509  93.18797       
17.40818  69.05057       16.31739  91.35066 9.510533 77.70420 10.60334 
13.64646       14.24363 
1 1 1 1   52 2  f 38.31226 12.88312 17.44863       11.86438  32.09145       
14.88771  -8.035545      19.64042  50.34521 14.02219 29.42199 13.66368 
20.92322       19.57851 
1 1 1 1   52 3  o 96.00488 9.331791 103.1175       17.98816  103.1175       
17.98816  0.000000       0.000000  96.00488 9.331791 ?        ?        
0.000000       9.331791 
1 1 1 1   52 4  o 48.07433 15.20966 30.83304       16.65796  30.83304       
16.65796  0.000000       0.000000  48.07433 15.20966 ?        ?        
0.000000       15.20966 
1 1 1 1   52 5  f 42.64727 13.11354 23.14967       12.47798  14.14744       
15.54292  39.47026       20.92789  35.99976 14.26947 52.02540 17.09912 
-16.02564      22.27101 
1 1 1 1   52 6  o 26.07365 11.98405 -4.090347      14.55357  -3.036178      
20.22863  -5.221500      20.95424  30.36519 14.01869 30.12829 14.03208 
0.2368984      19.83489 
1 1 1 1   52 7  o 38.29851 13.54205 19.40220       13.16850  7.529384       
16.18939  42.61715       22.63797  31.67731 13.69837 50.94691 17.77535 
-19.26960      22.44122 
1 1 1 1   52 8  o 27.48287 12.08645 3.635457       13.06329  18.22001       
16.02298  -25.27561      22.55947  36.55769 14.48894 25.43549 12.50601 
11.12220       19.13974 
1 1 1 1   52 9  o 29.77813 13.13668 7.213137       15.54555  7.213137       
15.54555  0.000000       0.000000  29.77813 13.13668 ?        ?        
0.000000       13.13668 
1 1 1 1   52 10 o 27.02289 12.33218 2.922677       15.04776  10.32473       
17.88198  -15.03598      27.85328  30.92746 13.83864 28.03867 13.80712 
2.888786       19.54852 
1 1 1 1   53 0  o 21.96844 10.42251 -11.00317      12.53582  3.118946       
14.99800  -43.73880      22.83461  29.84216 13.04132 23.81554 11.86139 
6.026617       17.62863 
1 1 1 1   53 1  f 38.10629 12.32099 17.81616       10.88608  22.00256       
15.52518  13.76704       15.26852  41.30700 14.69344 35.72766 14.14886 
5.579342       20.39822 
1 1 1 1   53 2  o 83.96503 7.521897 77.23028       12.70719  89.30595       
15.82100  55.27983       21.33045  89.14642 8.843996 62.59885 16.51682 
26.54758       18.73557 
1 1 1 1   53 3  o 75.91718 8.984811 65.39354       13.60171  51.99850       
17.55235  85.52844       21.51978  63.07329 14.04537 82.26842 13.31856 
-19.19513      19.35604 
1 1 1 1   53 4  o 29.92779 12.32639 7.606471       12.10462  -16.25654      
14.99397  52.26259       20.51136  22.52100 10.87221 60.00661 16.35960 
-37.48560      19.64285 
1 1 1 1   53 5  o 26.57685 11.63750 2.380203       11.99579  -11.65065      
14.98927  27.37464       20.00599  23.60884 11.25630 42.83049 16.41142 
-19.22165      19.90072 
1 1 1 1   53 6  o 40.17748 13.29227 22.20307       12.63902  2.397718       
15.77454  57.71510       21.12288  28.73693 12.91778 61.06062 16.58286 
-32.32370      21.02047 
1 1 1 1   53 7  o 47.16812 14.25121 33.11538       14.82389  31.38040       
19.59842  35.43517       22.66198  43.04318 16.30254 44.07981 17.30678 
-1.036636      23.77599 
1 1 1 1   53 8  o 34.51818 13.85933 17.31640       14.85104  11.04902       
19.25980  26.50798       23.32406  32.06539 14.35384 38.26089 16.49381 
-6.195503      21.86501 
1 1 1 1   53 9  f 48.02493 14.61780 38.28440       15.55427  38.28440       
15.55427  0.000000       0.000000  48.02493 14.61780 ?        ?        
0.000000       14.61780 
1 1 1 1   54 0  o 27.40271 11.38990 5.554454       10.46775  1.052991       
15.25381  9.561136       14.39110  28.38894 12.73642 32.05994 13.34271 
-3.671000      18.44572 
1 1 1 1   54 1  f 25.99095 11.19795 3.045614       10.73827  22.40361       
16.19913  -12.12880      14.34226  40.30508 14.91200 22.93753 10.95680 
17.36754       18.50458 
1 1 1 1   54 2  o 27.76665 11.60150 5.834948       10.94112  -10.72190      
13.44990  38.22476       18.81198  22.48033 10.70288 50.12945 16.19548 
-27.64912      19.41250 
1 1 1 1   54 3  o 43.04996 13.13893 25.19440       12.55391  -0.9149997     
17.21335  54.86198       18.34882  28.48380 13.07014 62.50986 14.68429 
-34.02606      19.65851 
1 1 1 1   54 4  o 41.42064 14.01101 24.62133       14.03353  21.87844       
18.60080  28.24552       21.38125  38.70149 15.52064 41.76279 16.67845 
-3.061302      22.78291 
1 1 1 1   54 5  o 51.92766 15.51299 42.37035       17.63824  12.27699       
32.93856  54.46880       20.88498  36.04746 17.04069 57.27840 16.82292 
-21.23094      23.94569 
1 1 1 1   54 6  o 41.43134 13.01598 25.02728       12.21878  32.22788       
15.14103  11.58128       20.69034  45.23706 14.52073 32.77620 14.75814 
12.46087       20.70397 
1 1 1 1   54 7  o 26.65964 11.77513 5.062981       12.52708  14.96655       
15.32191  -14.90465      21.75606  32.55837 13.67453 25.54311 12.50142 
7.015263       18.52777 
1 1 1 1   54 8  o 20.59943 9.947530 -9.846673      12.57572  -7.956789      
15.16477  -14.00813      22.50303  22.97758 11.05231 25.41196 12.49361 
-2.434387      16.68064 
1 1 1 1   55 0  o 48.50061 14.13009 34.31247       14.78710  55.83214       
24.15820  21.41942       18.69927  55.23721 18.38192 37.98613 15.44475 
17.25108       24.00907 
1 1 1 1   55 1  o 51.97766 12.39228 36.32044       12.91371  27.54960       
17.51706  46.76176       19.11254  41.62700 15.48576 53.91665 16.15763 
-12.28964      22.38030 
1 1 1 1   55 2  o 50.27373 12.23402 34.11930       12.38862  27.61209       
16.75017  41.97760       18.40714  41.62601 15.20204 50.66043 15.98406 
-9.034428      22.05884 
1 1 1 1   55 3  o 18.69289 9.160035 -16.44724      11.78747  -5.102776      
16.34857  -28.72994      17.01118  25.58637 12.06779 20.64973 10.27698 
4.936640       15.85080 
1 1 1 1   55 4  o 35.57254 12.74052 18.28201       11.69153  -4.963289      
14.47383  61.92836       19.83307  24.12626 11.37170 61.89322 15.72596 
-37.76696      19.40673 
1 1 1 1   55 5  o 29.40274 12.63362 9.720434       13.59740  32.69034       
18.95999  -14.60425      19.51111  41.48537 15.95751 24.40299 11.92125 
17.08238       19.91880 
1 1 1 1   55 6  o 22.32843 10.43309 -2.717988      11.73370  -0.4373910     
14.34672  -7.325443      20.39196  24.84893 11.58580 25.88554 12.54034 
-1.036612      17.07310 
1 1 1 1   55 7  o 51.73121 12.34442 40.03802       12.80513  44.10240       
15.68595  31.91839       22.17084  50.50736 14.50686 37.04757 16.02552 
13.45979       21.61634 
1 1 1 1   56 0  o 36.54910 12.84504 19.99195       11.83172  19.98296       
16.41479  20.00167       17.06957  35.33652 14.43063 35.26714 14.59222 
0.6938171E-01  20.52257 
1 1 1 1   56 1  o 39.27784 13.04159 23.54498       12.16278  24.90929       
16.94274  22.09427       17.47095  37.87866 14.93490 36.15700 14.84061 
1.721661       21.05457 
1 1 1 1   56 2  o 25.97978 11.39145 5.076734       11.52835  -1.506560      
15.96206  12.25517       16.66795  25.66289 12.04766 31.10083 13.66563 
-5.437933      18.21800 
1 1 1 1   56 3  o 26.74727 11.42686 7.253622       11.00975  2.227926       
14.25699  14.67847       17.32901  25.85147 11.87431 31.84572 13.96485 
-5.994247      18.33075 
1 1 1 1   56 4  o 25.01463 11.13012 4.303683       11.39409  -4.223684      
14.44663  18.33855       18.53374  23.44258 11.14128 32.84736 14.42216 
-9.404781      18.22435 
1 1 1 1   56 5  o 42.65631 13.89107 31.79580       13.82358  19.13235       
19.02579  45.95627       20.11898  32.40187 14.40132 45.21160 16.63808 
-12.80973      22.00509 
1 1 1 1   56 6  o 33.23574 12.53218 18.62550       11.54894  6.197232       
14.37187  41.27952       19.40353  26.23323 12.00253 41.85266 16.13075 
-15.61943      20.10626 
1 1 1 1   57 0  o 23.86865 11.07011 0.6219182      12.82888  12.83552       
23.09886  -4.825887      15.42693  30.51421 14.37748 23.52250 11.27042 
6.991707       18.26839 
1 1 1 1   57 1  o 26.05122 11.72030 5.839705       13.01735  -21.94247      
22.24874  20.30035       16.05151  23.36267 11.64741 33.31062 13.99370 
-9.947952      18.20675 
1 1 1 1   57 2  o 16.17339 8.079260 -20.67649      10.93577  -29.19702      
16.35512  -13.78678      14.70688  18.99567 9.544440 20.67526 10.15168 
-1.679596      13.93388 
1 1 1 1   57 3  o 21.78432 10.10072 -0.3639320     10.67005  -1.247385      
14.17857  0.7897587      16.20263  23.50116 11.13073 25.00788 11.86006 
-1.506723      16.26512 
1 1 1 1   57 4  o 16.29488 8.187176 -24.31847      12.02979  -30.98456      
17.13858  -17.84470      16.88953  18.93713 9.547828 20.82049 10.34171 
-1.883362      14.07522 
1 1 1 1   57 5  o 19.80859 9.546813 -6.244870      11.44784  -21.30386      
14.59760  17.81174       18.45019  18.60179 9.298649 29.93430 13.65873 
-11.33251      16.52349 
1 1 1 1   58 0  o 21.48622 9.855392 1.355788       9.774073  8.278185       
12.97041  -7.740815      14.86843  25.92756 11.67867 21.47208 10.47122 
4.455481       15.68559 
1 1 1 1   58 1  o 22.73451 10.17633 4.063413       9.678930  -12.51117      
16.52341  12.72139       11.94227  21.23914 10.49201 28.02803 11.93562 
-6.788883      15.89155 
1 1 1 1   58 2  o 34.48426 12.03209 20.73313       10.37255  15.85808       
13.70630  27.26717       15.86798  29.30196 12.63775 34.50206 14.15029 
-5.200092      18.97218 
1 1 1 1   58 3  o 21.15437 9.897016 0.1221139      10.61493  -1.317787      
13.95971  2.095958       16.34431  22.35175 10.71253 24.15206 11.57962 
-1.800312      15.77485 
1 1 1 2   0  0  o 89.09450 3.620931 81.11439       6.535658  81.11439       
6.535658  81.11439       6.535658  89.09450 3.620931 89.09450 3.620931 
0.000000       0.000000 
1 1 1 2   0  1  o 619.3943 7.761364 3904.062       97.72443  3904.062       
97.72443  3904.062       97.72443  619.3943 7.761364 619.3943 7.761364 
0.000000       0.000000 
1 1 1 2   0  2  o 122.4761 4.042024 153.0337       10.04219  153.0337       
10.04219  153.0337       10.04219  122.4761 4.042024 122.4761 4.042024 
0.000000       0.000000 
1 1 1 2   0  3  o 98.85925 4.649078 100.0463       9.299113  100.0463       
9.299113  100.0463       9.299113  98.85925 4.649078 98.85925 4.649078 
0.000000       0.000000 
1 1 1 2   0  4  o 188.9257 4.526583 363.6337       17.36799  363.6337       
17.36799  363.6337       17.36799  188.9257 4.526583 188.9257 4.526583 
0.000000       0.000000 
1 1 1 2   0  5  o 36.56535 12.77638 17.82200       8.597533  17.82200       
8.597533  17.82200       8.597533  36.56535 12.77638 36.56535 12.77638 
0.000000       0.000000 
1 1 1 2   0  6  o 293.6531 7.411116 879.3434       44.19205  879.3434       
44.19205  879.3434       44.19205  293.6531 7.411116 293.6531 7.411116 
0.000000       0.000000 
1 1 1 2   0  7  o 108.9805 6.400978 122.0771       14.07354  122.0771       
14.07354  122.0771       14.07354  108.9805 6.400978 108.9805 6.400978 
0.000000       0.000000 
1 1 1 2   0  8  o 342.8144 5.860153 1196.454       40.82565  1196.454       
40.82565  1196.454       40.82565  342.8144 5.860153 342.8144 5.860153 
0.000000       0.000000 
1 1 1 2   0  9  o 388.7310 6.407745 1538.334       50.62206  1538.334       
50.62206  1538.334       50.62206  388.7310 6.407745 388.7310 6.407745 
0.000000       0.000000 
1 1 1 2   0  10 o 197.8873 6.463416 399.6063       25.94661  399.6063       
25.94661  399.6063       25.94661  197.8873 6.463416 197.8873 6.463416 
0.000000       0.000000 
1 1 1 2   0  11 o 310.2833 9.189482 982.5937       57.86794  982.5937       
57.86794  982.5937       57.86794  310.2833 9.189482 310.2833 9.189482 
0.000000       0.000000 
1 1 1 2   0  12 o 452.3247 7.141130 2083.875       65.64848  2083.875       
65.64848  2083.875       65.64848  452.3247 7.141130 452.3247 7.141130 
0.000000       0.000000 
1 1 1 2   0  13 o 231.4742 6.888036 546.9749       32.35774  546.9749       
32.35774  546.9749       32.35774  231.4742 6.888036 231.4742 6.888036 
0.000000       0.000000 
1 1 1 2   0  14 o 43.38010 21.01253 28.61587       21.63578  28.61587       
21.63578  28.61587       21.63578  43.38010 21.01253 43.38010 21.01253 
0.000000       0.000000 
1 1 1 2   0  15 o 277.6852 6.705472 787.4066       37.81473  787.4066       
37.81473  787.4066       37.81473  277.6852 6.705472 277.6852 6.705472 
0.000000       0.000000 
1 1 1 2   0  16 o 261.3759 6.830595 698.4243       36.24972  698.4243       
36.24972  698.4243       36.24972  261.3759 6.830595 261.3759 6.830595 
0.000000       0.000000 
1 1 1 2   0  17 o 23.56506 15.89768 -9.251746      22.09759  -9.251746      
22.09759  -9.251746      22.09759  23.56506 15.89768 23.56506 15.89768 
0.000000       0.000000 
1 1 1 2   0  18 o 183.4561 11.32765 351.1185       41.89025  351.1185       
41.89025  351.1185       41.89025  183.4561 11.32765 183.4561 11.32765 
0.000000       0.000000 
1 1 1 2   0  19 o 67.12487 22.24106 61.20004       27.00150  61.20004       
27.00150  61.20004       27.00150  67.12487 22.24106 67.12487 22.24106 
0.000000       0.000000 
1 1 1 2   0  20 o 32.56732 20.13807 10.64644       26.34437  10.64644       
26.34437  10.64644       26.34437  32.56732 20.13807 32.56732 20.13807 
0.000000       0.000000 
1 1 1 2   0  21 f 252.0463 8.072119 659.0854       41.27711  659.0854       
41.27711  659.0854       41.27711  252.0463 8.072119 252.0463 8.072119 
0.000000       0.000000 
1 1 1 2   0  22 o 206.9318 9.200720 453.6506       38.54268  453.6506       
38.54268  453.6506       38.54268  206.9318 9.200720 206.9318 9.200720 
0.000000       0.000000 
1 1 1 2   0  23 o 63.07011 27.23184 78.53402       35.93885  78.53402       
35.93885  78.53402       35.93885  63.07011 27.23184 63.07011 27.23184 
0.000000       0.000000 
1 1 1 2   1  0  o 737.9406 6.345729 5539.386       95.22574  5604.286       
136.0692  5477.090       133.3122  742.0791 9.016920 733.6155 8.936138 
8.463562       12.69486 
1 1 1 2   1  1  o 1026.821 8.571636 10729.83       178.9823  10672.27       
205.6033  10909.90       363.6897  1023.917 9.874475 1034.009 17.29639 
-10.09192      19.91658 
1 1 1 2   1  2  o 740.6970 6.406283 5581.398       96.49352  5727.248       
139.6641  5448.195       133.4714  750.0959 9.156227 731.6105 8.971327 
18.48535       12.81878 
1 1 1 2   1  3  o 648.5009 5.747679 4278.451       75.79744  4252.250       
106.6901  4305.152       107.7047  646.3318 8.117401 650.3374 8.144125 
-4.005615      11.49865 
1 1 1 2   1  4  o 233.3255 3.284729 553.6843       15.58523  538.7368       
21.87391  569.0970       22.21166  230.1229 4.674284 236.5198 4.618086 
-6.396912      6.570819 
1 1 1 2   1  5  o 163.1763 3.363969 270.8326       11.16248  270.0039       
15.72766  271.6737       15.84525  162.8957 4.747915 163.3981 4.768708 
-0.5023651     6.729285 
1 1 1 2   1  6  o 248.6583 5.068423 629.2251       25.62874  588.4061       
35.28282  674.8190       37.28938  240.3498 7.218851 257.4002 7.124014 
-17.05043      10.14216 
1 1 1 2   1  7  f 487.0450 4.811604 2413.393       47.65521  2441.872       
67.92361  2385.783       66.87785  489.7576 6.820060 484.1025 6.793499 
5.655121       9.626258 
1 1 1 2   1  8  o 830.0784 7.248113 7013.343       122.3476  6986.666       
172.4677  7040.368       173.5890  828.0563 10.24228 831.2279 10.26953 
-3.171631      14.50405 
1 1 1 2   1  9  o 169.3060 4.603353 291.5538       15.84886  290.2429       
22.40342  292.8672       22.42394  168.8950 6.522980 169.6573 6.499621 
-0.7622375     9.208385 
1 1 1 2   1  10 f 380.9674 4.583704 1476.219       35.51042  1522.181       
51.08831  1433.255       49.39322  386.7838 6.495338 375.3168 6.471693 
11.46701       9.169091 
1 1 1 2   1  11 o 378.7238 6.716347 1459.743       51.72579  1403.780       
71.38581  1521.605       75.05464  371.2214 9.456435 386.4794 9.549920 
-15.25803      13.43968 
1 1 1 2   1  12 o 463.1032 5.121727 2182.219       48.23316  2159.605       
67.58697  2205.690       68.85468  460.5297 7.216954 465.4119 7.275193 
-4.882263      10.24758 
1 1 1 2   1  13 o 399.1994 4.862936 1621.859       39.47661  1670.497       
57.03403  1577.127       54.69604  404.9436 6.926089 393.4738 6.835789 
11.46979       9.731326 
1 1 1 2   1  14 o 88.28388 8.720527 80.34641       15.45118  80.83713       
21.91553  79.86141       21.78757  87.90630 12.62181 87.36243 12.63068 
0.5438690      17.85621 
1 1 1 2   1  15 o 232.2428 4.846245 549.3260       22.88754  521.8865       
31.76903  578.9365       33.00190  226.1739 6.907327 238.2264 6.812360 
-12.05254      9.701516 
1 1 1 2   1  16 f 54.02864 13.48598 31.31021       14.77040  45.62401       
20.76327  16.64579       21.01604  65.02520 15.84703 45.45004 16.95133 
19.57516       23.20508 
1 1 1 2   1  17 o 188.2050 5.514794 361.2514       21.10629  357.0141       
30.14027  365.3288       29.56565  186.7936 7.934758 188.9919 7.692947 
-2.198318      11.05178 
1 1 1 2   1  18 f 45.65584 17.14358 16.80646       21.56659  -9.330644      
30.20465  43.99058       30.80370  40.75959 18.12934 64.57879 20.70966 
-23.81920      27.52386 
1 1 1 2   1  19 o 212.6082 5.972556 461.7387       25.82210  431.4287       
35.78225  494.6762       37.30102  205.0068 8.583175 219.5751 8.353838 
-14.56834      11.97737 
1 1 1 2   1  20 o 31.50548 14.18078 -8.510801      19.08271  -8.010949      
28.19935  -8.933072      25.91872  39.41885 17.52584 37.34822 16.68979 
2.070629       24.20132 
1 1 1 2   1  21 o 135.3795 7.939280 189.4625       21.76114  176.5948       
30.70023  202.4561       30.85010  129.4032 11.79623 138.9314 11.00971 
-9.528107      16.13582 
1 1 1 2   1  22 o 42.01402 16.83291 11.98915       21.85621  13.72338       
26.29539  8.113497       39.30951  45.35668 18.36039 49.92620 21.46719 
-4.569523      28.24791 
1 1 1 2   1  23 o 84.80689 15.65879 82.71541       26.00997  45.44292       
35.16208  127.7550       38.65248  61.52400 22.08841 103.1881 19.12453 
-41.66413      29.21721 
1 1 1 2   2  0  o 272.9080 3.164389 757.3622       17.56133  739.6078       
24.53898  776.0014       25.14299  269.6747 4.474708 276.2300 4.476048 
-6.555237      6.329140 
1 1 1 2   2  1  o 322.0551 4.915768 1054.894       32.19386  0.000000       
0.000000  1054.894       32.19386  ?        ?        322.0551 4.915768 
0.000000       4.915768 
1 1 1 2   2  2  o 244.1236 4.435536 606.1192       22.01949  0.000000       
0.000000  606.1192       22.01949  ?        ?        244.1236 4.435536 
0.000000       4.435536 
1 1 1 2   2  3  o 296.2369 4.898536 892.6493       29.50916  0.000000       
0.000000  892.6493       29.50916  ?        ?        296.2369 4.898536 
0.000000       4.898536 
1 1 1 2   2  4  o 408.7220 4.163622 1699.293       34.60595  1615.400       
47.21529  1796.673       50.86911  398.4211 5.827588 420.1735 5.953524 
-21.75238      8.330980 
1 1 1 2   2  5  o 297.5466 4.199420 900.7241       25.40948  907.7059       
31.27521  887.1669       43.58149  298.6525 5.149709 295.1230 7.261857 
3.529572       8.902474 
1 1 1 2   2  6  o 463.7244 6.546633 2189.624       61.73470  2154.607       
86.25441  2226.401       88.39713  459.6738 9.227416 467.2585 9.303141 
-7.584625      13.10319 
1 1 1 2   2  7  o 90.53727 5.130192 83.66991       9.406402  68.80457       
13.11101  99.43739       13.50297  81.80533 7.983135 98.60052 6.775520 
-16.79519      10.47082 
1 1 1 2   2  8  f 609.8008 5.683686 3783.400       70.48058  3877.606       
101.6780  3696.270       97.78510  617.1373 8.102030 602.5462 7.980515 
14.59106       11.37240 
1 1 1 2   2  9  o 325.0232 4.246487 1074.435       28.06697  1094.681       
40.10494  1055.000       39.29288  328.0219 6.012341 322.0222 6.000352 
5.999756       8.494261 
1 1 1 2   2  10 o 418.9285 4.691740 1785.101       39.96918  1795.731       
56.78789  1774.666       56.26565  420.0952 6.647473 417.6250 6.625299 
2.470184       9.385280 
1 1 1 2   2  11 o 222.4508 6.765855 503.6260       30.60610  556.0223       
43.58914  452.6737       42.98433  233.6418 9.174373 210.7765 10.02852 
22.86530       13.59192 
1 1 1 2   2  12 o 456.3333 5.813299 2119.354       53.94563  2115.349       
66.23702  2127.243       92.96845  455.7900 7.146355 456.7509 10.00933 
-0.9608765     12.29866 
1 1 1 2   2  13 o 506.4916 5.318528 2611.333       54.77913  2599.815       
77.25980  2622.977       77.68068  505.0849 7.522076 507.3286 7.529605 
-2.243744      10.64315 
1 1 1 2   2  14 o 73.54755 10.09721 56.32859       14.70304  58.04736       
21.31201  54.76755       20.31060  73.84934 14.70820 71.73083 14.42403 
2.118515       20.60058 
1 1 1 2   2  15 o 85.51329 8.609419 75.48865       14.76769  75.05226       
21.18958  75.90080       20.59256  84.52089 12.72278 85.10110 12.25256 
-0.5802155     17.66336 
1 1 1 2   2  16 o 36.07867 13.90731 8.942557       14.42466  33.64421       
20.61524  -14.75171      20.19049  56.41701 16.75228 30.66084 14.10091 
25.75616       21.89691 
1 1 1 2   2  17 o 151.5350 6.323020 234.4212       19.48449  226.2022       
26.49266  244.1053       28.75684  148.3165 8.823675 154.0158 9.224188 
-5.699295      12.76491 
1 1 1 2   2  18 o 196.6916 7.619132 396.0539       30.47492  406.3190       
43.58719  386.2369       42.62502  198.2486 10.85299 193.2614 10.89034 
4.987198       15.37488 
1 1 1 2   2  19 o 222.0349 5.718664 503.4049       25.82065  510.5363       
36.61249  496.3483       36.42010  223.1317 8.068942 219.9927 8.141068 
3.138977       11.46232 
1 1 1 2   2  20 o 50.45527 16.23105 26.50307       18.91003  19.78741       
26.54317  33.42466       26.94704  49.65361 18.93251 57.19192 19.41484 
-7.538307      27.11782 
1 1 1 2   2  21 o 112.1245 9.188216 130.9500       20.76595  128.0002       
30.53868  133.4870       28.32147  109.1268 14.09068 112.0442 12.65170 
-2.917358      18.93707 
1 1 1 2   2  22 o 135.8776 8.991904 193.2755       24.70524  185.8291       
29.58054  210.4482       44.92120  132.2350 11.10317 137.4444 16.39570 
-5.209412      19.80150 
1 1 1 2   2  23 o 56.63478 18.62014 37.71619       24.81594  4.695895       
36.56081  65.92533       33.79250  46.23918 20.28021 72.20455 21.44997 
-25.96537      29.51929 
1 1 1 2   3  0  o 865.5269 7.319815 7621.727       128.8345  7618.706       
182.1278  7624.752       182.2711  865.0856 10.35299 865.4283 10.35703 
-0.3427124     14.64420 
1 1 1 2   3  1  o 946.8194 7.959859 9122.137       153.2583  8782.043       
208.9711  9517.965       225.4451  928.6624 11.06565 966.7357 11.46784 
-38.07330      15.93612 
1 1 1 2   3  2  o 797.3460 6.841237 6468.481       110.9259  6849.881       
165.2947  6155.988       149.6197  820.2185 9.910100 777.6130 9.461801 
42.60547       13.70167 
1 1 1 2   3  3  o 325.2135 3.613677 1075.625       23.89843  1056.878       
33.47762  1095.105       34.12669  322.3293 5.107442 328.1066 5.114790 
-5.777344      7.228211 
1 1 1 2   3  4  o 510.1332 5.550099 2648.140       57.57524  2702.871       
101.3217  2622.039       69.96956  514.9525 9.675728 507.5117 6.779717 
7.440765       11.81458 
1 1 1 2   3  5  f 272.2072 4.106153 753.8298       22.72931  755.6272       
27.84812  750.2432       39.33862  272.4920 5.025631 271.4000 7.127839 
1.092072       8.721414 
1 1 1 2   3  6  o 95.41763 5.302063 92.94459       10.24730  84.86967       
12.57684  108.8921       17.67455  91.03477 6.843884 103.0136 8.513576 
-11.97879      10.92336 
1 1 1 2   3  7  o 266.2942 3.747017 721.2806       20.29078  700.7629       
28.30751  742.9631       29.09989  262.4309 5.304388 270.2176 5.295734 
-7.786682      7.495421 
1 1 1 2   3  8  o 108.6957 4.959690 120.1880       10.96272  115.0045       
15.53005  125.3363       15.47735  106.0498 7.244659 110.7592 6.906115 
-4.709351      10.00897 
1 1 1 2   3  9  o 229.0025 4.142949 533.3658       19.29306  544.5656       
27.53365  522.5626       27.04201  231.3616 5.852226 226.6390 5.867496 
4.722549       8.287102 
1 1 1 2   3  10 o 276.4523 4.271941 777.3151       24.01579  793.8787       
34.39529  761.5581       33.54750  279.3383 6.055040 273.5938 6.029795 
5.744598       8.545288 
1 1 1 2   3  11 o 551.1702 7.825786 3092.864       87.71323  2934.755       
119.3079  3278.840       129.3958  536.5637 10.93444 567.1085 11.22025 
-30.54480      15.66703 
1 1 1 2   3  12 o 419.4263 5.618642 1790.311       47.92239  1828.143       
59.63340  1721.333       80.52188  423.7350 6.920601 410.9040 9.636561 
12.83099       11.86415 
1 1 1 2   3  13 o 236.8725 4.831841 571.0393       23.27442  587.5082       
33.20002  555.1240       32.63719  240.1516 6.798317 233.4340 6.875388 
6.717545       9.668923 
1 1 1 2   3  14 f 30.00311 12.81110 -0.3262545     13.82565  -15.47731      
19.93377  13.71840       19.19215  30.26521 13.95276 42.73528 16.14545 
-12.47007      21.33905 
1 1 1 2   3  15 o 303.6635 6.550122 940.4749       40.44765  940.4749       
40.44765  0.000000       0.000000  303.6635 6.550122 ?        ?        
0.000000       6.550122 
1 1 1 2   3  16 o 261.4592 4.808244 696.4588       25.56477  696.1903       
36.22967  696.7251       36.07888  261.1453 6.822298 261.2503 6.791173 
-0.1050110     9.626203 
1 1 1 2   3  17 o 287.4746 10.02121 848.8548       58.58292  0.000000       
0.000000  848.8548       58.58292  ?        ?        287.4746 10.02121 
0.000000       10.02121 
1 1 1 2   3  18 o 107.8138 11.07918 121.1085       23.94483  148.9722       
35.32058  97.41221       32.57234  118.6154 14.97700 94.80437 17.54150 
23.81098       23.06545 
1 1 1 2   3  19 o 122.2056 8.258768 153.8870       20.40334  160.1159       
28.69599  147.5183       29.01604  123.9067 11.52067 118.7097 12.19312 
5.196976       16.77492 
1 1 1 2   3  20 o 93.42343 11.00816 91.61173       20.51183  101.8947       
28.62998  80.76698       29.40162  97.40375 14.93027 85.69532 17.46447 
11.70843       22.97652 
1 1 1 2   3  21 o 125.4226 8.419445 163.0859       21.34936  162.3638       
30.96781  163.7400       29.47274  123.7433 12.47687 124.5474 11.77657 
-0.8040695     17.15692 
1 1 1 2   3  22 o 93.23515 22.16691 105.3788       41.41182  0.000000       
0.000000  105.3788       41.41182  ?        ?        93.23515 22.16691 
0.000000       22.16691 
1 1 1 2   3  23 f 84.85667 15.52425 82.74923       25.80129  120.2069       
37.10458  47.67985       35.90220  100.1036 18.92075 62.55792 22.33446 
37.54568       29.27154 
1 1 1 2   4  0  o 504.0180 4.641037 2583.601       47.56774  2582.294       
67.27306  2584.907       67.26883  503.8256 6.566130 504.0807 6.562396 
-0.2550354     9.283270 
1 1 1 2   4  1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 2   4  2  o 235.9439 4.416077 566.1923       21.18834  566.1923       
21.18834  0.000000       0.000000  235.9439 4.416077 ?        ?        
0.000000       4.416077 
1 1 1 2   4  3  f 291.3413 3.444664 863.2278       20.40800  820.4985       
28.02826  911.4433       29.77324  284.0070 4.853060 299.3322 4.891267 
-15.32520      6.890333 
1 1 1 2   4  4  o 316.1709 4.200604 1016.894       27.00755  969.0339       
45.38594  1043.133       33.60492  308.4940 7.234744 320.1844 5.161206 
-11.69040      8.887045 
1 1 1 2   4  5  o 231.6080 3.955796 545.7172       18.63112  565.0508       
23.05887  509.3613       31.62057  235.6439 4.812052 223.6316 6.953205 
12.01228       8.455939 
1 1 1 2   4  6  o 288.8381 4.281387 848.7721       25.14725  851.7440       
30.92897  842.9755       43.19544  289.2993 5.257347 287.6798 7.383752 
1.619476       9.064187 
1 1 1 2   4  7  o 252.8412 3.735230 650.2382       19.20510  652.8605       
27.21193  647.6358       27.10860  253.3051 5.282796 252.2895 5.283924 
1.015656       7.471799 
1 1 1 2   4  8  o 126.6542 4.522657 163.1686       11.64836  178.8589       
16.58719  147.9021       16.36166  132.5812 6.152330 120.3674 6.711178 
12.21377       9.104454 
1 1 1 2   4  9  o 109.6720 5.580027 122.6761       12.40360  144.5269       
17.77021  101.9158       17.32108  118.9417 7.383425 99.68389 8.629869 
19.25776       11.35736 
1 1 1 2   4  10 o 583.2011 5.624505 3460.153       66.70434  3523.831       
95.73643  3400.074       92.99178  588.3786 8.001455 577.9614 7.912146 
10.41718       11.25279 
1 1 1 2   4  11 o 358.1238 5.416320 1304.863       39.44473  1265.604       
47.51919  1391.852       70.73460  352.6395 6.626537 369.6307 9.410494 
-16.99115      11.50949 
1 1 1 2   4  12 o 210.7643 5.579257 452.0776       23.91250  488.8849       
30.43410  392.6952       38.65644  219.1265 6.829897 196.2541 9.686164 
22.87242       11.85197 
1 1 1 2   4  13 o 83.39179 9.288737 71.83323       15.48419  54.30927       
21.75237  89.83427       22.04648  71.38122 15.43491 92.97063 11.93688 
-21.58941      19.51219 
1 1 1 2   4  14 o 227.7862 4.779076 528.2540       22.13721  550.8397       
32.22942  508.0814       30.45901  232.4480 6.818289 223.2534 6.709132 
9.194550       9.565642 
1 1 1 2   4  15 o 163.3518 5.477987 271.9063       18.19686  317.6628       
25.87433  227.1275       25.59640  176.4208 7.212201 148.8298 8.492620 
27.59103       11.14183 
1 1 1 2   4  16 o 42.99095 14.30936 18.16290       14.63913  22.49198       
21.49571  14.41841       19.99174  49.22121 17.31276 43.50141 16.46790 
5.719799       23.89401 
1 1 1 2   4  17 o 272.5652 5.748886 757.9386       31.86438  766.1609       
38.97303  741.3597       55.34072  273.8163 6.999282 268.6124 10.13135 
5.203827       12.31398 
1 1 1 2   4  18 o 205.1980 7.707248 431.1628       32.16058  407.5349       
45.30286  455.1679       45.66313  198.3950 11.27561 209.8756 10.73515 
-11.48064      15.56865 
1 1 1 2   4  19 f 35.73339 14.92918 3.176436       18.11613  14.61948       
24.72586  -10.08585      26.61889  46.25222 18.10161 37.66398 16.86633 
8.588242       24.74149 
1 1 1 2   4  20 o 117.9623 8.801241 144.0018       20.96045  141.7510       
29.88334  146.1815       29.40749  115.8834 12.90002 117.8419 12.46077 
-1.958466      17.93548 
1 1 1 2   4  21 o 126.9034 8.155137 166.7805       20.93390  133.9688       
30.22672  197.0249       29.02015  111.8398 13.56835 137.1925 10.48133 
-25.35272      17.14522 
1 1 1 2   4  22 o 33.98383 15.17505 -5.703496      21.38490  -6.451344      
25.09948  -3.722830      40.84734  36.65166 16.39794 47.19255 21.03034 
-10.54089      26.66772 
1 1 1 2   5  0  f 722.2377 6.234673 5306.294       91.56832  5179.585       
179.5934  5350.805       106.4433  713.0557 12.38555 725.2010 7.217859 
-12.14526      14.33525 
1 1 1 2   5  1  o 342.7421 3.608813 1194.627       25.15262  1133.982       
34.41280  1264.185       36.85501  333.9009 5.068167 352.5475 5.140763 
-18.64655      7.218986 
1 1 1 2   5  2  o 217.3209 3.045631 480.2718       13.45954  455.9160       
18.67999  506.5693       19.41034  211.7230 4.338676 223.1757 4.276956 
-11.45268      6.092328 
1 1 1 2   5  3  o 475.0789 4.543008 2295.822       43.88950  2362.842       
63.43282  2234.271       60.78977  481.8574 6.473574 468.5701 6.379762 
13.28726       9.088923 
1 1 1 2   5  4  o 195.5925 3.696144 389.1339       14.70119  388.5611       
25.16563  389.4306       18.11326  195.3730 6.334200 195.6469 4.552734 
-0.2738342     7.800608 
1 1 1 2   5  5  o 104.9670 4.521292 112.1100       9.650879  124.7846       
11.94242  88.25272       16.38461  110.7265 5.303826 92.62202 8.804936 
18.10448       10.27898 
1 1 1 2   5  6  o 313.5371 5.410318 1000.480       34.49556  1000.480       
34.49556  0.000000       0.000000  313.5371 5.410318 ?        ?        
0.000000       5.410318 
1 1 1 2   5  7  o 41.21804 9.850616 18.01339       8.144130  6.103136       
11.53258  29.86170       11.50256  31.68495 12.37297 53.13716 11.00700 
-21.45221      16.56033 
1 1 1 2   5  8  o 261.8140 3.897215 697.1656       20.74907  725.6555       
29.81298  670.4019       28.89575  267.0711 5.489429 256.7007 5.535483 
10.37036       7.795858 
1 1 1 2   5  9  o 354.5303 4.301135 1278.383       31.00900  1276.366       
43.70700  1280.427       44.00118  354.1968 6.068130 354.7587 6.099298 
-0.5618591     8.603699 
1 1 1 2   5  10 o 526.8322 5.276352 2823.439       56.52720  2870.191       
80.85503  2778.741       79.05833  531.0446 7.487290 522.5193 7.440358 
8.525269       10.55549 
1 1 1 2   5  11 o 208.5851 5.597798 442.6808       23.74389  441.9098       
28.86810  444.2933       41.74594  208.3684 6.812946 208.8130 9.831173 
-0.4445801     11.96111 
1 1 1 2   5  12 o 475.9615 5.924491 2305.815       57.34219  2335.934       
71.24809  2250.432       96.61487  478.9271 7.315640 469.7355 10.11438 
9.191589       12.48276 
1 1 1 2   5  13 o 150.7212 5.742785 231.3041       17.60145  247.8896       
25.38730  215.9522       24.42500  155.7194 8.044668 145.2869 8.301612 
10.43253       11.55999 
1 1 1 2   5  14 o 268.3401 4.659606 733.0643       25.42647  783.1627       
36.74291  687.0269       35.22220  277.1902 6.518449 259.6050 6.671937 
17.58511       9.327643 
1 1 1 2   5  15 o 55.43316 12.89888 32.87775       14.26705  27.63898       
20.05155  38.24932       20.30412  52.14043 16.70754 59.77336 16.26873 
-7.632927      23.31981 
1 1 1 2   5  16 o 257.3185 4.845427 674.6272       25.35447  703.4049       
36.44230  647.6279       35.29832  262.4818 6.827398 251.8502 6.892241 
10.63162       9.701358 
1 1 1 2   5  17 o 150.8200 7.324743 232.5718       22.46481  242.3142       
27.49088  212.9897       38.97486  153.5032 8.844270 142.7599 13.58938 
10.74327       16.21396 
1 1 1 2   5  18 o 114.5762 15.17207 139.3519       34.48062  139.3519       
34.48062  0.000000       0.000000  114.5762 15.17207 ?        ?        
0.000000       15.17207 
1 1 1 2   5  19 f 111.1656 9.016465 127.8233       20.20692  117.7272       
28.71401  137.7289       28.44173  105.4692 13.71238 114.5841 12.40420 
-9.114891      18.49037 
1 1 1 2   5  20 o 101.2471 10.11004 106.9551       20.53720  74.37688       
28.99684  139.7461       29.09136  81.98181 17.89550 115.1160 12.63506 
-33.13423      21.90648 
1 1 1 2   5  21 o 62.08607 14.92023 42.67162       18.60340  53.13405       
26.99251  33.20544       25.67524  68.47292 18.80837 56.07116 18.95156 
12.40177       26.70049 
1 1 1 2   5  22 o 67.79910 16.05580 52.47061       21.79476  58.20643       
26.34154  40.02195       38.80653  70.60370 18.22327 61.25246 22.99725 
9.351242       29.34214 
1 1 1 2   6  0  o 590.4351 6.085276 3546.304       73.06406  3497.013       
125.5274  3571.560       89.85330  586.0344 10.53329 592.4618 7.457998 
-6.427429      12.90628 
1 1 1 2   6  1  o 723.9297 6.260680 5331.578       92.16570  5261.757       
128.8300  5404.774       131.9084  718.9781 8.811505 728.6754 8.901990 
-9.697327      12.52550 
1 1 1 2   6  2  f 859.2993 7.302299 7514.498       127.6014  7447.542       
146.1801  7728.826       261.5378  855.3380 8.404251 870.2604 14.77862 
-14.92249      17.00115 
1 1 1 2   6  3  o 454.3752 4.408554 2100.104       40.73447  2052.669       
56.63139  2150.955       58.63535  449.1182 6.200763 459.7403 6.271848 
-10.62207      8.819611 
1 1 1 2   6  4  o 403.0818 4.765524 1653.162       39.06208  1619.523       
66.52293  1670.865       48.25792  398.6825 8.205267 405.1611 5.857192 
-6.478546      10.08132 
1 1 1 2   6  5  o 289.5617 4.189043 853.0590       24.66648  878.0023       
30.62723  807.0129       41.61279  293.7181 5.127734 281.4589 7.270436 
12.25928       8.896791 
1 1 1 2   6  6  o 521.3279 4.994335 2765.559       52.94683  2699.250       
73.43159  2837.363       76.41367  514.8445 7.013833 527.8394 7.118981 
-12.99493      9.993685 
1 1 1 2   6  7  o 243.6472 3.721567 603.7993       18.43906  635.8835       
26.54150  573.8678       25.63562  249.9954 5.220859 237.4894 5.308209 
12.50600       7.445431 
1 1 1 2   6  8  o 437.1961 4.597499 1944.238       40.87421  2038.162       
59.66433  1861.173       56.10907  447.5385 6.555911 427.6712 6.451663 
19.86728       9.198039 
1 1 1 2   6  9  o 400.7383 4.481188 1633.384       36.51787  1695.571       
52.71083  1575.987       50.63955  408.2270 6.349606 393.5691 6.327286 
14.65787       8.963930 
1 1 1 2   6  10 o 765.7963 6.857446 5967.799       106.7891  6025.112       
152.2567  5912.308       149.8181  769.1356 9.734686 761.9103 9.669615 
7.225342       13.72099 
1 1 1 2   6  11 o 313.2458 5.243893 998.3101       33.40339  1005.965       
40.55588  982.1642       58.90057  314.3987 6.343394 310.4911 9.328653 
3.907623       11.28106 
1 1 1 2   6  12 o 204.2031 5.717522 424.4124       23.74224  417.8932       
29.56703  436.2470       39.83710  202.5694 7.177653 206.8473 9.470796 
-4.277893      11.88338 
1 1 1 2   6  13 o 263.1937 4.692176 705.0084       25.11315  725.3401       
35.60987  684.8911       35.42160  266.8380 6.562529 259.2793 6.718137 
7.558746       9.391494 
1 1 1 2   6  14 o 165.7287 5.534166 279.7757       18.65096  260.7264       
25.99253  299.9935       26.77790  159.6265 8.033096 171.4676 7.679677 
-11.84105      11.11342 
1 1 1 2   6  15 o 274.1445 4.717455 765.4384       26.29897  763.6915       
37.19134  767.1856       37.19337  273.6001 6.684582 274.2273 6.669655 
-0.6272278     9.442877 
1 1 1 2   6  16 o 126.0555 6.651824 162.6527       16.99080  145.5845       
23.29870  182.0409       24.83174  118.7677 9.732237 132.9831 9.239825 
-14.21543      13.41979 
1 1 1 2   6  17 o 68.08353 14.49732 49.92344       19.45627  33.86795       
23.61094  83.89059       34.34244  57.05168 18.11396 87.42351 19.77967 
-30.37183      26.82072 
1 1 1 2   6  18 o 181.9715 6.702933 338.5419       24.80389  394.7422       
43.14555  310.7988       30.31402  195.3267 10.90587 174.0549 8.564574 
21.27182       13.86687 
1 1 1 2   6  19 o 52.65245 16.04588 29.40637       18.73353  16.83579       
26.41994  42.11739       26.56710  48.30595 18.76511 62.52870 19.11930 
-14.22275      26.78950 
1 1 1 2   6  20 o 222.9353 5.990991 508.3390       27.15994  470.0266       
38.70565  545.5026       38.12094  213.6058 8.910661 230.3662 8.137547 
-16.76035      12.06729 
1 1 1 2   6  21 o 56.36061 15.67589 35.16749       18.61982  48.66642       
27.18846  23.24425       25.55242  65.61829 19.17232 50.36874 18.71010 
15.24956       26.78891 
1 1 1 2   6  22 o 34.86243 15.30970 -2.161738      20.89345  -7.597102      
24.62641  11.80178       39.47154  35.84633 16.12439 50.88538 21.68498 
-15.03905      27.02285 
1 1 1 2   7  0  o 1164.659 11.15275 13815.72       264.1389  14494.33       
479.7043  13520.45       316.4286  1190.695 19.81170 1151.679 13.51116 
39.01538       23.98031 
1 1 1 2   7  1  o 674.0137 5.891735 4621.586       80.75388  4597.778       
113.6657  4645.851       114.7484  672.0972 8.316604 675.5984 8.352312 
-3.501282      11.78673 
1 1 1 2   7  2  o 394.6620 4.589317 1584.306       36.83195  1647.309       
46.45841  1477.708       60.43084  402.3917 5.677589 381.0151 7.799468 
21.37653       9.647109 
1 1 1 2   7  3  o 526.3453 4.894190 2818.517       52.38452  2909.716       
76.00243  2735.982       72.30183  534.6280 6.990760 518.4333 6.858117 
16.19464       9.793084 
1 1 1 2   7  4  o 168.0523 3.718046 287.2815       12.70605  295.6182       
21.91726  283.0614       15.59389  170.3999 6.325070 166.7933 4.597528 
3.606583       7.819448 
1 1 1 2   7  5  o 137.1000 7.528704 192.0844       20.90947  0.000000       
0.000000  192.0844       20.90947  ?        ?        137.1000 7.528704 
0.000000       7.528704 
1 1 1 2   7  6  o 261.7721 3.649146 697.0202       19.42523  698.9112       
27.44249  695.1213       27.50044  262.0740 5.149298 261.3615 5.174241 
0.7125244      7.299866 
1 1 1 2   7  7  o 221.6601 3.742629 499.7377       16.87003  527.4597       
24.20435  473.5484       23.52576  227.6889 5.227573 215.7357 5.362535 
11.95320       7.488945 
1 1 1 2   7  8  o 422.7671 4.515080 1817.985       38.81666  1812.718       
54.78017  1823.296       55.01064  422.0736 6.382397 423.3029 6.390636 
-1.229279      9.031900 
1 1 1 2   7  9  o 476.8871 4.891951 2313.272       47.44048  2399.729       
68.71636  2234.537       65.57571  485.6174 6.958482 468.6092 6.881464 
17.00824       9.786471 
1 1 1 2   7  10 o 596.2632 5.701638 3617.075       69.13358  3637.679       
98.18263  3596.814       97.36182  597.7789 8.076862 594.4137 8.054683 
3.365234       11.40674 
1 1 1 2   7  11 o 659.8660 7.145740 4432.596       95.88582  4339.495       
115.2009  4642.539       172.9942  652.7120 8.679261 674.4503 12.61335 
-21.73822      15.31098 
1 1 1 2   7  12 o 230.5408 5.419902 540.9154       25.40918  528.1752       
31.19202  566.0452       43.80772  227.7508 6.734915 235.6289 9.142618 
-7.878113      11.35546 
1 1 1 2   7  13 o 154.8122 5.724030 244.0513       18.02015  257.7217       
25.89332  231.2118       25.09415  158.7710 8.046114 150.3408 8.239512 
8.430161       11.51649 
1 1 1 2   7  14 o 508.1417 5.357491 2630.003       55.36021  2738.674       
80.62550  2533.065       76.14852  518.0594 7.653172 498.2650 7.515359 
19.79443       10.72621 
1 1 1 2   7  15 f 99.80879 7.895666 102.4029       15.89458  123.7084       
22.92059  82.66609       22.06071  109.3596 10.43320 88.78134 12.57060 
20.57825       16.33621 
1 1 1 2   7  16 o 203.4884 5.098752 422.0194       21.09867  453.8339       
30.20901  391.7213       29.48037  210.7915 7.047449 195.7904 7.404405 
15.00119       10.22212 
1 1 1 2   7  17 o 181.8510 6.619416 337.8293       24.47861  335.5725       
29.66845  342.6416       43.32289  181.0377 8.058875 181.8560 11.77818 
-0.8182983     14.27133 
1 1 1 2   7  18 o 99.64713 10.30432 103.3382       20.57863  137.2772       
34.80170  85.09149       25.51776  113.5689 15.47184 89.24901 14.56234 
24.31987       21.24710 
1 1 1 2   7  19 o 114.7815 8.678270 136.0930       20.10649  135.5849       
28.60022  136.5895       28.27236  113.5923 12.59330 114.0765 12.38653 
-0.4841537     17.66401 
1 1 1 2   7  20 o 75.01910 13.33543 60.54653       19.59831  46.88700       
27.86096  73.92580       27.57367  65.21870 19.49993 81.89285 17.10915 
-16.67415      25.94167 
1 1 1 2   7  21 o 142.1335 7.451959 208.6219       21.46361  176.1042       
30.52954  240.4028       30.18171  129.0510 11.76262 151.7619 9.832683 
-22.71088      15.33104 
1 1 1 2   7  22 o 59.43476 16.59899 40.60624       20.83244  53.06135       
25.09495  12.99475       37.36436  67.34694 17.98484 50.22672 21.23820 
17.12022       27.83012 
1 1 1 2   8  0  o 452.4428 4.979428 2082.157       45.81363  2079.720       
79.83326  2083.354       55.94198  452.0029 8.685428 452.5308 6.079086 
-0.5278625     10.60151 
1 1 1 2   8  1  o 779.2499 6.681234 6178.804       105.8729  6137.375       
148.7950  6221.287       150.6766  776.3418 9.425055 781.6241 9.479740 
-5.282288      13.36776 
1 1 1 2   8  2  o 645.3447 6.587973 4238.355       86.45596  4209.970       
105.4042  4296.716       151.1389  643.0358 8.060672 649.1808 11.44878 
-6.145020      14.00175 
1 1 1 2   8  3  o 49.39797 5.175659 25.10090       5.121869  46.23505       
7.443883  6.099370       7.058320  67.18136 5.496917 27.14751 9.875319 
40.03385       11.30212 
1 1 1 2   8  4  o 213.9912 3.295886 465.7765       14.34232  446.0184       
19.88210  487.2130       20.70940  209.3633 4.669927 218.8189 4.654053 
-9.455551      6.593059 
1 1 1 2   8  5  o 325.0866 5.365286 1075.652       35.46855  1075.652       
35.46855  0.000000       0.000000  325.0866 5.365286 ?        ?        
0.000000       5.365286 
1 1 1 2   8  6  o 425.8942 4.408309 1845.343       38.17905  2010.001       
57.20391  1713.080       51.26898  444.3522 6.330631 410.2352 6.145686 
34.11694       8.823057 
1 1 1 2   8  7  o 374.1407 4.187267 1423.864       31.85789  1444.820       
45.45826  1403.638       44.66008  376.8065 5.932572 371.3985 5.913272 
5.407928       8.376288 
1 1 1 2   8  8  o 508.6154 5.019874 2631.490       51.91989  2675.979       
74.36786  2589.186       72.51868  512.7757 7.131919 504.3956 7.070126 
8.380096       10.04246 
1 1 1 2   8  9  o 582.2590 5.544375 3448.895       65.64781  3482.692       
93.55833  3416.115       92.13801  584.9509 7.865233 579.3362 7.820899 
5.614685       11.09181 
1 1 1 2   8  10 o 1214.127 10.20331 15017.97       251.9165  15265.01       
361.9089  14785.78       350.8746  1222.819 14.55411 1203.543 14.33636 
19.27576       20.42923 
1 1 1 2   8  11 o 356.8857 5.330347 1295.936       38.68441  1312.887       
47.09682  1260.782       67.82209  359.1540 6.448513 351.7458 9.481802 
7.408203       11.46682 
1 1 1 2   8  12 o 250.5622 5.405318 638.9708       27.54154  653.3334       
34.54607  613.9198       45.62416  253.2952 6.706875 245.3763 9.143467 
7.918900       11.33954 
1 1 1 2   8  13 o 267.7065 6.609822 730.1961       35.98322  730.1961       
35.98322  0.000000       0.000000  267.7065 6.609822 ?        ?        
0.000000       6.609822 
1 1 1 2   8  14 o 260.2928 4.723045 689.8571       24.99975  727.0577       
36.11917  655.6462       34.63734  267.0336 6.651513 253.5737 6.717210 
13.45992       9.453229 
1 1 1 2   8  15 o 214.6392 4.978201 469.3442       21.72865  494.7399       
31.26644  445.6227       30.21828  220.1608 6.983722 208.9316 7.112367 
11.22922       9.967855 
1 1 1 2   8  16 o 259.2430 4.892855 684.8677       25.79413  597.6534       
35.16034  786.5067       37.95677  241.8683 7.148628 277.5390 6.725332 
-35.67076      9.814937 
1 1 1 2   8  17 o 88.17029 11.17674 81.34982       19.58969  49.12409       
23.38128  157.2534       35.88376  67.16831 17.07948 122.0886 14.75261 
-54.92032      22.56875 
1 1 1 2   8  18 o 98.42827 10.34819 100.8917       20.40251  131.4635       
35.10101  85.29280       25.07300  110.8900 16.03131 89.42148 14.26794 
21.46850       21.46106 
1 1 1 2   8  19 o 74.13586 12.75417 58.66244       18.53452  28.01400       
25.40536  93.53647       27.10019  53.72748 18.82572 93.46574 14.74734 
-39.73827      23.91426 
1 1 1 2   8  20 o 330.0747 5.414967 1113.415       36.34624  1128.663       
51.67500  1098.487       51.13198  331.4829 7.665984 327.0116 7.689146 
4.471375       10.85773 
1 1 1 2   8  21 o 43.24564 16.00744 16.68672       18.67086  -17.98648      
26.99598  48.47969       25.85042  35.05811 16.18859 65.37432 18.57271 
-30.31621      24.63769 
1 1 1 2   8  22 o 42.47412 16.56155 14.65973       20.63885  17.52438       
24.99885  8.527295       36.57637  46.15855 18.15988 48.27142 20.73018 
-2.112865      27.55942 
1 1 1 2   9  0  o 350.0143 4.230319 1246.023       30.10997  1352.171       
55.59843  1201.971       35.81702  364.4987 7.500930 343.7467 5.123886 
20.75192       9.083951 
1 1 1 2   9  1  o 619.9934 5.499547 3910.631       69.33706  3882.758       
97.39162  3939.279       98.73703  617.6035 7.754618 622.0778 7.805197 
-4.474304      11.00251 
1 1 1 2   9  2  o 445.8501 4.978821 2022.348       45.14054  1980.211       
54.57427  2113.624       80.32173  441.1165 6.083916 455.5267 8.670972 
-14.41022      10.59244 
1 1 1 2   9  3  o 158.6006 3.153281 255.8373       10.16995  264.3600       
14.55020  247.6966       14.22044  161.1965 4.438763 156.0325 4.481739 
5.163956       6.307820 
1 1 1 2   9  4  o 36.63630 7.977537 14.21143       5.774911  8.431767       
8.046706  20.34997       8.292767  30.44995 10.59911 43.81777 9.574349 
-13.36782      14.28318 
1 1 1 2   9  5  o 289.5639 5.165869 853.3383       30.41860  853.3383       
30.41860  0.000000       0.000000  289.5639 5.165869 ?        ?        
0.000000       5.165869 
1 1 1 2   9  6  o 69.60929 5.870851 49.66623       8.232799  52.39658       
11.62741  46.92125       11.65852  71.25356 8.172429 67.29948 8.724118 
3.954086       11.95403 
1 1 1 2   9  7  o 342.6870 4.044784 1194.478       28.18671  1224.124       
40.43343  1166.450       39.31417  346.8486 5.732568 338.5802 5.710001 
8.268463       8.091135 
1 1 1 2   9  8  o 373.7514 4.285141 1420.796       32.56862  1501.290       
47.55198  1349.673       44.69834  384.1277 6.087535 364.2169 6.035035 
19.91077       8.572032 
1 1 1 2   9  9  f 449.5802 4.757297 2055.914       43.49295  2045.284       
61.32577  2066.671       61.69250  448.3292 6.726584 450.6669 6.731709 
-2.337677      9.516452 
1 1 1 2   9  10 o 661.9333 6.146519 4458.368       82.73607  4397.501       
115.7263  4522.003       118.3301  657.1566 8.659878 666.3860 8.732083 
-9.229431      12.29808 
1 1 1 2   9  11 o 301.1602 5.263486 922.8406       32.23461  926.0605       
39.09475  916.0032       56.96921  301.6349 6.373608 299.8123 9.344139 
1.822601       11.31087 
1 1 1 2   9  12 o 498.8311 6.046442 2533.334       61.33449  2537.901       
75.58461  2524.528       104.9535  499.1131 7.447028 497.3358 10.37757 
1.777283       12.77310 
1 1 1 2   9  13 o 363.0680 4.769424 1341.801       35.21318  1366.970       
50.16386  1317.351       49.44191  366.2518 6.735344 359.5399 6.762335 
6.711853       9.544320 
1 1 1 2   9  14 o 285.4738 4.682504 829.8094       27.18290  822.3044       
38.11551  837.5776       38.77790  283.9786 6.600317 286.5971 6.653667 
-2.618530      9.372058 
1 1 1 2   9  15 o 128.6583 6.401319 168.8670       16.74783  165.0292       
23.80546  172.6281       23.56637  126.6185 9.310762 129.5668 9.000160 
-2.948372      12.94964 
1 1 1 2   9  16 o 411.3400 5.841007 1726.002       48.85850  1666.014       
82.58033  1758.310       60.60373  402.8317 10.08095 414.8254 7.184268 
-11.99374      12.37899 
1 1 1 2   9  17 o 204.2190 6.351745 425.9756       26.37792  403.0700       
31.36666  481.3003       48.74813  198.4290 7.773412 215.7866 11.14725 
-17.35754      13.58996 
1 1 1 2   9  18 o 95.54570 10.86265 95.38618       20.73046  95.83350       
34.33797  95.12965       26.00417  93.50960 18.71110 94.61678 13.93230 
-1.107178      23.32840 
1 1 1 2   9  19 o 133.9332 7.851432 184.6167       21.29053  180.1130       
29.92273  189.2344       30.29953  131.4357 11.30534 134.7880 11.15459 
-3.352310      15.88192 
1 1 1 2   9  20 o 156.4938 7.026182 251.2166       22.35980  207.4470       
31.18692  297.5140       32.07483  140.9249 10.96903 169.4891 9.342253 
-28.56418      14.40824 
1 1 1 2   9  21 o 59.33640 15.59057 39.32845       19.05688  8.597342       
27.21496  68.89340       26.69361  44.16098 18.36118 78.12749 17.26172 
-33.96650      25.20119 
1 1 1 2   9  22 o 46.18613 17.24120 20.46045       21.75043  8.793967       
26.32210  45.57372       38.61911  42.84896 17.95609 63.00600 23.07197 
-20.15705      29.23589 
1 1 1 2   10 0  o 703.9617 7.077034 5043.688       101.3099  4981.970       
173.8313  5075.435       124.6719  698.9567 12.22999 705.9975 8.683887 
-7.040833      14.99942 
1 1 1 2   10 1  o 170.2565 2.851923 294.7866       9.873992  289.9205       
13.91036  299.7283       14.01813  168.8297 4.051707 171.6622 4.015724 
-2.832504      5.704592 
1 1 1 2   10 2  o 445.2180 3.872761 2016.251       35.06266  2062.786       
46.13795  1952.638       53.94434  450.2626 5.038961 438.0088 6.056360 
12.25381       7.878491 
1 1 1 2   10 3  o 162.5784 6.069462 269.0829       20.06617  0.000000       
0.000000  269.0829       20.06617  ?        ?        162.5784 6.069462 
0.000000       6.069462 
1 1 1 2   10 4  o 273.9351 3.506953 763.3397       19.53570  769.1430       
27.66777  757.5698       27.58772  274.9113 4.949145 272.8340 4.972398 
2.077301       7.015610 
1 1 1 2   10 5  o 387.7586 5.846378 1530.552       46.09988  1530.552       
46.09988  0.000000       0.000000  387.7586 5.846378 ?        ?        
0.000000       5.846378 
1 1 1 2   10 6  o 337.9689 3.978513 1161.887       27.34317  1215.966       
39.65377  1112.864       37.75429  345.6688 5.641219 330.6909 5.614261 
14.97781       7.958849 
1 1 1 2   10 7  o 370.8429 4.198133 1398.842       31.65903  1370.755       
44.16769  1428.522       45.40315  367.0312 5.917663 374.6832 5.958958 
-7.652008      8.398090 
1 1 1 2   10 8  o 644.9310 5.927783 4231.763       77.74223  4317.984       
111.8259  4151.111       108.1543  651.2570 8.443809 638.5598 8.328959 
12.69720       11.86042 
1 1 1 2   10 9  o 177.4742 4.430879 320.3628       15.99104  325.6989       
22.64869  315.0585       22.58094  178.9161 6.225041 175.9676 6.310415 
2.948456       8.864111 
1 1 1 2   10 10 o 201.5477 8.935833 413.7126       36.62387  413.7126       
36.62387  0.000000       0.000000  201.5477 8.935833 ?        ?        
0.000000       8.935833 
1 1 1 2   10 11 o 329.7949 4.601171 1106.520       30.85772  1079.038       
42.43348  1137.363       44.95436  325.5859 6.409020 334.2573 6.613624 
-8.671448      9.209537 
1 1 1 2   10 12 o 132.3375 6.324403 178.3365       17.01978  171.5215       
23.86919  185.3853       24.27516  129.3597 9.132430 134.5342 8.923800 
-5.174576      12.76854 
1 1 1 2   10 13 o 208.5781 5.032754 442.9270       21.34646  449.9924       
30.05761  435.7371       30.32102  210.1029 7.035110 206.7347 7.212389 
3.368271       10.07528 
1 1 1 2   10 14 o 197.5220 5.096329 397.3942       20.47031  394.3940       
28.74524  400.4813       29.15796  196.6028 7.189931 198.1096 7.237692 
-1.506775      10.20193 
1 1 1 2   10 15 o 185.0821 5.223273 349.0957       19.65887  330.2856       
27.54941  368.6114       28.06133  179.8046 7.534598 189.9823 7.263461 
-10.17773      10.46556 
1 1 1 2   10 16 o 163.6266 6.652203 273.4124       22.13455  259.5470       
38.46582  280.2765       27.06439  158.2046 12.04705 165.5022 8.041612 
-7.297531      14.48444 
1 1 1 2   10 17 o 163.4436 7.328461 273.3067       24.35748  289.4308       
29.59045  239.4211       42.89652  167.7640 8.703539 151.1026 14.12424 
16.66142       16.59054 
1 1 1 2   10 18 o 146.0596 7.872618 219.3024       23.29668  243.5154       
41.57399  208.2190       28.12777  152.3635 13.55977 141.8802 9.809271 
10.48334       16.73587 
1 1 1 2   10 19 o 258.6400 5.483585 683.1747       28.84109  689.4129       
41.29763  677.2355       40.29575  259.2239 7.834271 256.9601 7.711557 
2.263794       10.99290 
1 1 1 2   10 20 o 88.58643 11.20243 82.84661       19.72939  48.87086       
27.62637  118.2107       28.18516  66.22818 19.31911 105.2956 13.47200 
-39.06745      23.55256 
1 1 1 2   10 21 o 131.7087 9.686957 181.5810       25.76290  196.5751       
30.98132  147.9724       46.38357  136.3900 11.27133 113.0884 20.94069 
23.30164       23.78141 
1 1 1 2   10 22 o 33.43103 14.83094 -3.674433      20.08656  5.158432       
24.31591  -22.65159      35.64145  40.04942 17.04251 39.10659 18.24270 
0.9428291      24.96484 
1 1 1 2   11 0  o 288.9369 3.842836 849.1345       22.57908  904.9156       
41.23624  825.2493       26.98362  298.1672 6.800921 284.8212 4.658825 
13.34601       8.243615 
1 1 1 2   11 1  o 247.4776 4.434609 623.0416       22.31736  0.000000       
0.000000  623.0416       22.31736  ?        ?        247.4776 4.434609 
0.000000       4.434609 
1 1 1 2   11 2  o 150.9242 2.976958 231.6648       9.136568  222.2776       
12.80871  241.3888       13.03641  147.8133 4.261283 154.0388 4.161757 
-6.225449      5.956405 
1 1 1 2   11 3  o 91.22802 4.066663 84.67209       7.544282  74.12727       
9.207782  106.2090       13.15914  85.17271 5.343286 101.9297 6.380701 
-16.75700      8.322502 
1 1 1 2   11 4  o 359.1033 3.920909 1311.938       28.63239  1294.059       
40.17327  1330.396       40.81908  356.5444 5.540795 361.5147 5.552464 
-4.970337      7.844123 
1 1 1 2   11 5  o 95.09174 6.308452 92.46317       12.12954  92.46317       
12.12954  0.000000       0.000000  95.09174 6.308452 ?        ?        
0.000000       6.308452 
1 1 1 2   11 6  o 354.6002 4.041451 1279.045       29.14256  1315.806       
41.86580  1244.488       40.59134  359.5821 5.725455 349.7025 5.707991 
9.879578       8.084677 
1 1 1 2   11 7  o 692.7643 6.221796 4883.661       87.65016  4801.486       
122.0739  4971.106       125.9280  686.6395 8.742643 698.6469 8.863661 
-12.00745      12.44983 
1 1 1 2   11 8  o 33.51595 11.77874 10.02695       9.948851  20.96410       
14.51424  0.3339010      13.66383  45.50955 14.16793 30.28081 12.82585 
15.22873       19.11106 
1 1 1 2   11 9  o 815.9924 7.178683 6776.404       119.1194  6909.082       
171.4197  6652.509       165.6489  823.5449 10.23581 808.1320 10.07987 
15.41290       14.36577 
1 1 1 2   11 10 o 362.8803 5.223767 1339.703       38.54771  1273.269       
63.69466  1378.098       48.42210  353.5699 8.858828 367.9846 6.470867 
-14.41470      10.97046 
1 1 1 2   11 11 o 154.9818 5.573836 244.4390       17.56654  257.0858       
24.27895  230.5451       25.44794  158.8825 7.514540 150.1968 8.365027 
8.685699       11.24464 
1 1 1 2   11 12 f 115.2840 7.118396 135.9193       16.60629  122.0216       
22.73125  151.8259       24.31871  108.8241 10.39837 121.5586 9.924516 
-12.73456      14.37436 
1 1 1 2   11 13 o 397.4922 4.889894 1608.601       39.52570  1726.593       
57.99142  1506.233       54.01566  411.5406 6.929464 384.3854 6.910370 
27.15515       9.786250 
1 1 1 2   11 14 o 142.6527 6.059487 207.4506       17.57792  218.4542       
24.45579  195.6904       25.28267  145.9924 8.271585 138.0373 9.057125 
7.955109       12.26583 
1 1 1 2   11 15 o 129.7529 6.613067 172.2725       17.39116  179.7129       
24.35429  164.5309       24.84261  132.1633 9.117536 126.3210 9.746320 
5.842361       13.34617 
1 1 1 2   11 16 o 37.45829 14.99693 7.416373       17.33491  -1.897449      
30.24130  11.97440       21.15557  43.34995 18.73408 42.81179 16.74693 
0.5381622      25.12818 
1 1 1 2   11 17 o 78.75218 12.64212 65.77316       19.56081  67.04666       
23.25342  62.69101       36.17537  78.92564 15.03736 75.47984 22.13268 
3.445808       26.75776 
1 1 1 2   11 18 o 61.15275 16.95077 40.71795       21.81067  71.55566       
26.65162  -21.81172      37.95120  81.00591 16.73295 42.68997 19.52182 
38.31594       25.71173 
1 1 1 2   11 19 o 153.0379 8.463900 241.4278       26.23798  228.4010       
30.87753  275.2708       49.76887  148.3503 10.29916 161.0216 15.38654 
-12.67126      18.51536 
1 1 1 2   11 20 o 101.0748 9.898611 106.7904       20.08438  65.53156       
27.75753  152.1272       29.09701  76.47215 18.12605 120.0828 12.07952 
-43.61065      21.78230 
1 1 1 2   11 21 o 47.75376 16.28472 23.63288       18.95934  1.176075       
27.99163  42.66783       25.77094  41.63678 18.00871 61.36954 18.84163 
-19.73277      26.06378 
1 1 1 2   11 22 o 106.2497 10.26797 120.5446       21.90870  120.0334       
26.74668  121.5871       38.19347  104.6574 12.83661 101.0613 19.28826 
3.596069       23.16928 
1 1 1 2   12 0  o 672.5027 6.815108 4604.307       93.20050  4556.496       
160.5233  4628.620       114.4708  668.1473 11.81448 674.0602 8.351116 
-5.912842      14.46800 
1 1 1 2   12 1  o 310.6947 4.901900 982.2219       30.97060  0.000000       
0.000000  982.2219       30.97060  ?        ?        310.6947 4.901900 
0.000000       4.901900 
1 1 1 2   12 2  o 327.8904 3.608111 1093.646       24.05803  1083.655       
33.85219  1103.842       34.19680  326.3149 5.101506 329.3399 5.106104 
-3.024994      7.217871 
1 1 1 2   12 3  o 270.5424 6.686832 745.4883       36.78808  0.000000       
0.000000  745.4883       36.78808  ?        ?        270.5424 6.686832 
0.000000       6.686832 
1 1 1 2   12 4  o 487.2567 4.706109 2415.985       46.63063  2477.888       
67.12825  2358.260       64.82346  493.2523 6.692444 481.2064 6.624443 
12.04593       9.416584 
1 1 1 2   12 5  o 278.0427 5.160317 786.6936       29.17691  786.6936       
29.17691  0.000000       0.000000  278.0427 5.160317 ?        ?        
0.000000       5.160317 
1 1 1 2   12 6  o 311.6465 3.879404 987.8934       24.58548  1067.465       
36.05140  918.7152       33.61460  323.8940 5.473533 300.4795 5.501254 
23.41449       7.760371 
1 1 1 2   12 7  o 697.9713 6.266468 4957.263       88.94302  4940.789       
125.3884  4973.947       126.1843  696.5351 8.852435 698.8651 8.878925 
-2.330017      12.53798 
1 1 1 2   12 8  o 471.9983 4.833743 2266.124       46.39546  2290.924       
66.17354  2242.146       65.06664  474.4738 6.858366 469.3977 6.816570 
5.076050       9.669685 
1 1 1 2   12 9  o 381.4643 4.470988 1480.106       34.68238  1472.728       
48.97422  1487.529       49.12270  380.4404 6.330375 382.3478 6.317891 
-1.907440      8.943679 
1 1 1 2   12 10 o 416.5252 9.305938 1767.577       78.82298  1767.577       
78.82298  0.000000       0.000000  416.5252 9.305938 ?        ?        
0.000000       9.305938 
1 1 1 2   12 11 o 137.5174 6.126953 192.5020       17.13379  215.7549       
23.97564  168.2321       24.49437  145.2949 8.147492 128.1072 9.469567 
17.18765       12.49217 
1 1 1 2   12 12 o 478.2200 5.181913 2327.946       50.39290  2340.998       
71.15720  2314.813       71.37595  479.2895 7.300784 476.5920 7.364677 
2.697540       10.37015 
1 1 1 2   12 13 o 160.9566 5.841893 263.9352       19.12114  238.2223       
26.21815  293.1516       27.94737  152.5148 8.487140 169.4765 8.109240 
-16.96169      11.73845 
1 1 1 2   12 14 o 387.8990 4.887643 1532.602       38.55402  1589.147       
55.63744  1480.369       53.47411  394.6362 6.932961 380.8958 6.903763 
13.74036       9.784064 
1 1 1 2   12 15 o 75.47731 12.30394 60.16474       18.23410  53.13455       
21.24375  79.83755       35.53700  70.24628 15.30438 85.34793 20.69043 
-15.10165      25.73554 
1 1 1 2   12 16 o 190.9486 7.991234 373.2123       31.03000  360.5182       
41.52877  389.2573       46.68922  186.8117 10.98013 193.8777 11.89987 
-7.066040      16.19166 
1 1 1 2   12 17 o 32.53979 14.58804 -8.322173      19.97282  34.38796       
23.86192  -108.2627      36.50151  57.29191 18.21207 28.21489 14.18783 
29.07702       23.08624 
1 1 1 2   12 18 o 287.0940 5.241229 841.2339       30.59910  847.7241       
43.83743  835.0673       42.73109  287.6311 7.494761 285.5151 7.359757 
2.115997       10.50416 
1 1 1 2   12 19 o 108.6158 9.105240 122.3259       19.92554  128.7042       
29.06386  116.6693       27.37029  110.2877 13.22271 104.9709 13.10779 
5.316849       18.61865 
1 1 1 2   12 20 o 84.67275 12.02504 76.36986       20.12355  60.03159       
27.98403  93.86639       28.95898  72.93740 18.76057 92.61336 15.95224 
-19.67596      24.62586 
1 1 1 2   12 21 o 47.68544 17.61414 21.48376       22.58367  -5.241608      
39.93858  34.04567       27.38159  46.70292 20.80487 56.33066 19.55509 
-9.627735      28.55248 
1 1 1 2   12 22 o 29.39924 13.67489 -14.37174      19.79883  -11.10310      
23.51341  -22.33562      36.70243  33.52156 15.34273 39.58109 18.48020 
-6.059528      24.01910 
1 1 1 2   13 0  o 595.3403 6.170484 3608.193       74.70263  3514.645       
127.1591  3657.494       92.31173  586.8529 10.65532 599.2057 7.575818 
-12.35278      13.07398 
1 1 1 2   13 1  o 337.6452 3.631557 1159.693       24.93475  1156.027       
35.21653  1163.379       35.30976  337.0332 5.138336 338.1033 5.135632 
-1.070129      7.264793 
1 1 1 2   13 2  o 298.4874 4.912346 906.7229       29.81717  906.7229       
29.81717  0.000000       0.000000  298.4874 4.912346 ?        ?        
0.000000       4.912346 
1 1 1 2   13 3  o 282.4182 3.969401 811.4755       22.79655  844.6063       
28.57979  753.5278       37.79734  288.0804 4.878585 271.9827 6.833900 
16.09769       8.396593 
1 1 1 2   13 4  o 223.8870 3.427790 509.8689       15.60611  551.9232       
22.62240  471.6830       21.55687  232.8920 4.776752 215.2928 4.923849 
17.59921       6.860149 
1 1 1 2   13 5  f 380.4427 4.784407 1472.630       37.01424  1470.319       
45.04930  1477.432       64.93627  380.0819 5.828534 380.7961 8.385780 
-0.7141113     10.21240 
1 1 1 2   13 6  o 260.4756 3.739895 690.0840       19.80970  692.3057       
27.91893  687.8314       28.11236  260.8515 5.263251 260.0054 5.316961 
0.8460693      7.481436 
1 1 1 2   13 7  o 244.9504 3.876930 610.2468       19.31157  627.1382       
27.54470  593.9174       27.08252  248.2816 5.455596 241.6147 5.512066 
6.666901       7.755411 
1 1 1 2   13 8  o 107.6139 5.532872 118.1258       12.06698  107.9449       
16.75016  129.1105       17.39889  102.6577 8.089269 112.3660 7.660078 
-9.708290      11.14060 
1 1 1 2   13 9  o 724.2031 6.537638 5337.151       96.27924  5447.938       
138.5288  5233.632       133.9075  731.3624 9.314426 716.8502 9.185975 
14.51221       13.08208 
1 1 1 2   13 10 o 298.0966 5.134493 904.1065       31.12476  986.2988       
54.69466  864.7424       37.85118  311.1655 8.643746 291.4829 6.385794 
19.68262       10.74675 
1 1 1 2   13 11 o 292.0185 4.626848 867.6561       27.47559  955.8397       
39.64676  786.1703       38.11141  306.4030 6.363019 277.8582 6.744975 
28.54483       9.272685 
1 1 1 2   13 12 o 51.06360 15.67058 26.82688       17.82865  38.03423       
20.75302  -4.746880      34.83316  59.87413 16.51063 46.11026 20.01629 
13.76387       25.94711 
1 1 1 2   13 13 o 385.6687 5.612651 1515.268       44.01836  1480.290       
52.59637  1597.046       80.42196  381.0213 6.788208 395.1086 10.00937 
-14.08731      12.09410 
1 1 1 2   13 14 o 129.3546 6.633701 171.1584       17.39105  173.2051       
24.00998  168.8995       25.22425  129.7782 9.156595 128.0473 9.760678 
1.730820       13.38335 
1 1 1 2   13 15 o 131.0284 6.701826 175.7467       17.79730  192.7776       
25.16703  158.7101       25.17135  136.8735 9.093678 123.9545 10.07316 
12.91898       13.57069 
1 1 1 2   13 16 o 61.33153 14.79127 40.67889       18.23363  67.45998       
31.70542  27.44433       22.28815  78.31071 19.87568 52.51171 17.65776 
25.79900       26.58645 
1 1 1 2   13 17 o 161.3447 7.687421 266.6740       25.22242  258.4770       
29.16100  291.0195       50.25576  158.3578 9.093622 166.1904 15.03335 
-7.832550      17.56973 
1 1 1 2   13 18 o 131.2940 7.466348 177.2160       19.85210  183.4184       
28.50323  171.3727       27.66573  132.8414 10.64069 128.3640 10.69594 
4.477371       15.08733 
1 1 1 2   13 19 o 130.6855 7.956170 176.0644       21.04312  138.5711       
29.52589  214.7679       29.99866  114.5396 12.90104 143.7431 10.33166 
-29.20356      16.52816 
1 1 1 2   13 20 o 45.98170 16.88469 19.18187       20.70377  -31.15528      
33.53968  50.17129       26.31608  36.93516 17.37907 66.75182 18.66100 
-29.81666      25.50030 
1 1 1 2   13 21 o 128.4926 11.56183 175.8570       29.88688  0.000000       
0.000000  175.8570       29.88688  ?        ?        128.4926 11.56183 
0.000000       11.56183 
1 1 1 2   13 22 o 37.42187 15.73332 5.867332       20.31660  9.756807       
23.83080  -4.480767      38.87081  41.39096 17.19326 44.85626 20.20998 
-3.465298      26.53397 
1 1 1 2   14 0  o 600.9805 6.225831 3677.582       76.08675  3789.389       
135.8561  3626.486       91.84164  609.1341 10.96768 596.5871 7.570322 
12.54700       13.32666 
1 1 1 2   14 1  o 346.5945 3.694318 1222.065       26.03798  1212.808       
36.61886  1231.530       37.03112  345.1887 5.216712 347.8416 5.235209 
-2.652832      7.390635 
1 1 1 2   14 2  o 175.2532 3.489294 312.4387       12.43526  305.7025       
15.30905  325.5030       21.32006  173.3305 4.343321 178.8003 5.863661 
-5.469788      7.297051 
1 1 1 2   14 3  o 341.5748 3.777777 1186.948       26.24059  1190.456       
30.50632  1176.967       51.45120  342.0466 4.385843 339.8668 7.444496 
2.179749       8.640379 
1 1 1 2   14 4  o 432.2942 5.021971 1901.710       44.14739  1898.255       
54.18556  1908.533       76.13979  431.8090 6.170785 432.7122 8.652887 
-0.9032288     10.62784 
1 1 1 2   14 5  o 57.19779 8.037629 33.97553       9.090869  31.52357       
10.59411  40.82351       17.70469  54.77470 9.874396 61.96025 14.33603 
-7.185547      17.40763 
1 1 1 2   14 6  o 337.1570 4.008404 1156.233       27.48243  1191.849       
39.39621  1122.472       38.35669  342.2480 5.660595 332.1368 5.679009 
10.11115       8.018322 
1 1 1 2   14 7  o 254.1368 3.910665 656.8768       20.21015  629.6352       
27.84797  687.1902       29.37616  248.7755 5.504711 259.8957 5.558331 
-11.12021      7.822844 
1 1 1 2   14 8  o 462.7483 5.575443 2178.521       52.46572  2186.925       
64.07333  2161.421       91.39988  463.5749 6.796823 460.6544 9.757059 
2.920471       11.89105 
1 1 1 2   14 9  o 334.9561 5.122673 1141.398       34.89280  1086.858       
40.81753  1289.433       67.24668  326.8160 6.141748 355.7901 9.294490 
-28.97412      11.14040 
1 1 1 2   14 10 o 463.7637 7.077981 2189.746       66.75097  2174.433       
92.06326  2206.719       96.92448  461.8571 9.802285 465.2185 10.24531 
-3.361420      14.17925 
1 1 1 2   14 11 o 448.9048 7.189950 2052.704       65.63441  0.000000       
0.000000  2052.704       65.63441  ?        ?        448.9048 7.189950 
0.000000       7.189950 
1 1 1 2   14 12 o 322.7948 6.617647 1061.709       43.43917  0.000000       
0.000000  1061.709       43.43917  ?        ?        322.7948 6.617647 
0.000000       6.617647 
1 1 1 2   14 13 o 324.4477 4.723758 1071.869       31.16619  1035.818       
43.41588  1110.198       44.76644  318.7110 6.698848 329.9595 6.671761 
-11.24850      9.454468 
1 1 1 2   14 14 o 97.45470 8.142749 97.75608       15.98925  101.7380       
22.90227  93.96973       22.33292  98.83015 11.61728 94.88560 11.83133 
3.944542       16.58136 
1 1 1 2   14 15 o 39.97093 14.44981 13.90995       15.07807  5.398692       
20.69709  23.53589       22.01070  39.13116 16.11771 50.03480 17.52340 
-10.90364      23.80861 
1 1 1 2   14 16 o 86.52095 11.18005 78.41174       19.21043  118.9967       
32.77326  57.16843       23.71090  105.6594 15.73308 72.51003 16.45721 
33.14942       22.76773 
1 1 1 2   14 17 o 148.1051 9.611357 226.6524       28.79074  226.6524       
28.79074  0.000000       0.000000  148.1051 9.611357 ?        ?        
0.000000       9.611357 
1 1 1 2   14 18 o 118.4257 9.551957 145.3934       22.80761  165.2984       
37.07125  133.2702       28.93112  124.6975 14.91535 112.4538 12.88390 
12.24369       19.70945 
1 1 1 2   14 19 o 148.7264 8.270048 228.1870       24.91314  224.1868       
40.77361  230.5702       31.47101  145.5094 13.95060 148.8678 10.46228 
-3.358368      17.43785 
1 1 1 2   14 20 o 37.09149 15.40936 4.963923       19.14580  38.65725       
27.10875  -28.56827      27.04385  59.58326 19.45512 32.52075 15.39389 
27.06251       24.80874 
1 1 1 2   14 21 o 92.40852 12.38066 92.43013       22.68035  124.1415       
39.84337  77.22903       27.58586  103.0617 19.72972 82.18008 17.06514 
20.88159       26.08603 
1 1 1 2   14 22 o 146.3407 8.188884 225.0242       24.27142  286.5370       
30.68799  122.2673       39.66352  164.4972 9.211020 99.64875 20.26362 
64.84841       22.25887 
1 1 1 2   15 0  f 239.7249 3.116086 584.5447       15.19057  585.2446       
21.55815  583.8545       21.40806  239.8210 4.420515 239.5371 4.394943 
0.2839050      6.233496 
1 1 1 2   15 1  o 231.3539 3.133716 544.4385       14.74307  540.7365       
20.82076  548.1613       20.87906  230.5195 4.441579 232.0975 4.423737 
-1.577957      6.268737 
1 1 1 2   15 2  o 294.0970 6.805234 881.0623       40.69912  0.000000       
0.000000  881.0623       40.69912  ?        ?        294.0970 6.805234 
0.000000       6.805234 
1 1 1 2   15 3  o 522.1660 4.902696 2774.694       52.05890  2792.631       
60.57098  2723.988       101.8392  523.7726 5.686831 516.7224 9.691842 
7.050293       11.23707 
1 1 1 2   15 4  o 155.9371 5.008172 247.4359       15.88109  247.4359       
15.88109  0.000000       0.000000  155.9371 5.008172 ?        ?        
0.000000       5.008172 
1 1 1 2   15 5  o 346.0617 4.635216 1218.351       32.61932  1298.014       
40.98183  1080.635       53.88348  357.1479 5.642762 325.7266 8.134878 
31.42139       9.900353 
1 1 1 2   15 6  o 517.0844 5.809927 2720.578       61.09188  2774.392       
75.56793  2619.054       103.7948  522.0779 7.117882 506.9742 10.06789 
15.10379       12.32991 
1 1 1 2   15 7  o 340.5914 4.192974 1179.870       29.04071  1178.835       
40.61872  1180.952       41.53618  340.3875 5.868152 340.6881 5.995399 
-0.3006897     8.389280 
1 1 1 2   15 8  o 518.0123 5.147632 2729.752       54.22492  2899.135       
80.07130  2586.267       73.69603  533.6985 7.377844 504.0920 7.189237 
29.60645       10.30135 
1 1 1 2   15 9  o 302.7945 4.369373 932.6201       26.90410  913.9362       
37.27634  952.9358       38.86996  299.6840 6.116716 306.0057 6.246448 
-6.321747      8.742558 
1 1 1 2   15 10 o 70.16678 11.99829 51.66640       16.50476  32.11369       
26.27030  64.41722       21.21439  57.50530 19.17016 78.23737 13.84053 
-20.73207      23.64435 
1 1 1 2   15 11 o 197.0163 5.705456 395.1590       22.85830  422.8151       
28.92138  349.1306       37.31099  203.7304 6.980904 184.6824 9.971773 
19.04805       12.17248 
1 1 1 2   15 12 f 234.8623 4.856756 561.5513       23.19589  567.2773       
33.05760  555.9978       32.55604  235.9079 6.890924 233.5538 6.854774 
2.354050       9.719709 
1 1 1 2   15 13 o 178.8123 5.358741 325.7466       19.48550  324.4089       
27.84037  327.0312       27.28145  178.2581 7.680229 178.9945 7.495080 
-0.7363586     10.73136 
1 1 1 2   15 14 o 176.0453 5.389445 315.9034       19.29390  302.6017       
27.45813  328.8762       27.11646  172.0591 7.847693 179.4222 7.431995 
-7.363129      10.80837 
1 1 1 2   15 15 o 340.1355 5.613067 1180.068       38.82430  1149.798       
66.86329  1195.465       47.68679  334.6496 9.825305 342.0803 6.855177 
-7.430695      11.98040 
1 1 1 2   15 16 o 112.7323 11.02006 132.2583       24.93985  0.000000       
0.000000  132.2583       24.93985  ?        ?        112.7323 11.02006 
0.000000       11.02006 
1 1 1 2   15 17 o 39.63451 16.82606 1.921157       23.60180  1.921157       
23.60180  0.000000       0.000000  39.63451 16.82606 ?        ?        
0.000000       16.82606 
1 1 1 2   15 18 o 130.6636 7.777797 175.7759       20.57284  149.4691       
28.37587  204.9268       29.87043  119.4439 11.83836 140.4230 10.53732 
-20.97913      15.84872 
1 1 1 2   15 19 o 179.6632 6.644001 330.7714       24.27394  367.6046       
34.54480  294.8464       34.11629  188.7916 8.998055 168.5197 10.00017 
20.27185       13.45245 
1 1 1 2   15 20 o 140.9693 7.709703 205.4752       22.01733  204.9059       
31.48522  206.0201       30.80049  139.5024 11.19299 140.0051 10.90439 
-0.5027161     15.62654 
1 1 1 2   15 21 o 113.3718 10.36739 136.4646       23.63696  154.6460       
40.54182  127.1017       29.09332  116.3832 17.68691 107.7891 13.57396 
8.594093       22.29527 
1 1 1 2   15 22 o 43.27380 16.52606 17.68626       20.24438  32.10605       
24.79335  -11.15930      35.06672  52.90524 18.59422 40.77363 18.68940 
12.13161       26.36358 
1 1 1 2   16 0  o 306.7349 4.037506 957.2839       25.18418  922.0767       
29.84831  1044.279       46.91938  300.9949 4.876512 320.1335 7.207253 
-19.13858      8.702003 
1 1 1 2   16 1  o 218.7498 6.616789 487.4050       29.43381  0.000000       
0.000000  487.4050       29.43381  ?        ?        218.7498 6.616789 
0.000000       6.616789 
1 1 1 2   16 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 2   16 3  o 287.1678 3.550533 838.8408       20.73389  851.4077       
24.28362  805.0331       39.82962  289.2891 4.127906 281.1496 6.966541 
8.139496       8.097672 
1 1 1 2   16 4  o 183.6295 3.961659 343.0084       14.79350  333.5328       
18.25000  361.1645       25.26227  181.0519 4.956880 188.3505 6.595599 
-7.298569      8.250611 
1 1 1 2   16 5  o 486.8710 5.549966 2412.025       54.94848  2474.330       
68.26474  2297.372       92.60455  493.0237 6.808904 474.7977 9.591186 
18.22598       11.76231 
1 1 1 2   16 6  o 485.5846 4.835745 2398.623       47.75070  2367.148       
66.72193  2431.669       68.36750  482.2736 6.803364 488.7969 6.878122 
-6.523315      9.674417 
1 1 1 2   16 7  o 220.1677 4.029009 493.0194       18.03862  542.8179       
26.05631  447.1859       24.99753  230.9874 5.547194 209.6477 5.863482 
21.33963       8.071665 
1 1 1 2   16 8  o 317.5387 4.239810 1025.588       27.37755  1077.689       
39.40589  976.9736       38.06435  325.4468 5.954285 309.8633 6.040833 
15.58353       8.482050 
1 1 1 2   16 9  o 529.2712 5.319853 2850.221       57.25710  2879.491       
81.34936  2821.485       80.60332  531.7979 7.522394 526.4136 7.529643 
5.384277       10.64340 
1 1 1 2   16 10 o 105.3469 7.343256 113.5781       15.63282  106.8655       
21.85968  120.6049       22.36527  101.7787 10.72309 108.2485 10.28367 
-6.469757      14.85727 
1 1 1 2   16 11 o 580.9615 6.621570 3438.125       78.22755  3341.281       
94.03848  3655.713       140.9571  572.4620 8.078069 597.9202 11.59290 
-25.45819      14.12978 
1 1 1 2   16 12 o 137.9522 6.248878 193.9320       17.53001  218.1686       
25.37212  171.7947       24.24839  145.9243 8.588094 129.3383 9.281145 
16.58595       12.64496 
1 1 1 2   16 13 o 324.1489 5.428116 1070.669       35.78039  1113.446       
62.98275  1050.285       43.47764  329.8476 9.389812 320.8717 6.663204 
8.975830       11.51377 
1 1 1 2   16 14 o 208.2632 5.785594 442.3460       24.50259  440.1058       
42.76577  443.4408       29.89611  207.0844 10.15541 208.3673 7.055596 
-1.282852      12.36583 
1 1 1 2   16 15 o 301.3657 4.846905 925.7350       29.70364  900.0365       
41.57850  952.5217       42.44964  296.7782 6.889463 305.3204 6.837018 
-8.542236      9.706158 
1 1 1 2   16 16 o 186.6197 5.593543 355.4749       21.22735  366.3420       
29.74130  344.1905       30.30670  189.1197 7.733421 183.2417 8.133227 
5.878006       11.22298 
1 1 1 2   16 17 o 175.3960 8.529044 316.0186       30.42086  316.0186       
30.42086  0.000000       0.000000  175.3960 8.529044 ?        ?        
0.000000       8.529044 
1 1 1 2   16 18 f 83.41290 11.92583 73.66431       19.65311  29.19117       
26.79130  125.4773       28.91773  54.75356 19.32060 108.8452 13.34433 
-54.09165      23.48099 
1 1 1 2   16 19 o 59.47286 15.87682 38.96840       19.56109  21.72229       
27.16449  57.54280       28.19119  50.66150 19.19188 71.56025 19.03938 
-20.89875      27.03380 
1 1 1 2   16 20 o 114.3476 9.136527 136.5370       21.06774  140.2620       
29.89413  132.8614       29.69544  114.3722 13.08896 111.1390 13.41028 
3.233223       18.73917 
1 1 1 2   16 21 o 36.33916 15.72313 0.9187575      21.35301  -39.46453      
36.75175  21.49771       26.23546  36.52713 17.47343 48.59129 18.74868 
-12.06416      25.62877 
1 1 1 2   16 22 o 47.59773 18.14427 23.06603       24.37530  23.06603       
24.37530  0.000000       0.000000  47.59773 18.14427 ?        ?        
0.000000       18.14427 
1 1 1 2   17 0  o 141.5858 2.949012 203.8976       8.490780  227.0735       
12.32614  182.9705       11.71288  149.3926 4.057388 134.0970 4.295296 
15.29558       5.908635 
1 1 1 2   17 1  o 406.8998 4.690722 1684.851       38.81312  1697.503       
48.06501  1661.138       65.80169  408.3351 5.788433 403.7008 8.015415 
4.634277       9.887003 
1 1 1 2   17 2  o 149.1345 4.480572 226.3010       13.58824  226.3010       
13.58824  0.000000       0.000000  149.1345 4.480572 ?        ?        
0.000000       4.480572 
1 1 1 2   17 3  o 334.4681 3.774199 1137.959       25.67030  1139.073       
29.84689  1134.794       50.31593  334.6052 4.386467 333.7878 7.412824 
0.8174438      8.613423 
1 1 1 2   17 4  o 718.3193 7.308210 5254.003       106.7530  5268.898       
131.3181  5224.980       183.3122  719.0694 8.980541 715.3038 12.60229 
3.765564       15.47475 
1 1 1 2   17 5  o 263.4698 3.766521 706.0358       20.18007  750.3288       
23.54967  583.6238       39.14978  271.5958 4.263934 239.4024 8.041727 
32.19337       9.102225 
1 1 1 2   17 6  o 332.3139 4.067838 1123.218       27.48929  1141.912       
38.98180  1104.727       38.77052  335.0128 5.722016 329.5105 5.786032 
5.502258       8.137545 
1 1 1 2   17 7  o 162.6755 4.397565 269.1729       14.54742  286.0799       
20.54380  252.1688       20.60264  167.6787 6.024921 157.4193 6.435963 
10.25941       8.815968 
1 1 1 2   17 8  o 495.3922 5.047598 2496.658       50.84933  2412.568       
70.00651  2590.570       73.98167  486.8488 7.071196 504.4785 7.211574 
-17.62967      10.09993 
1 1 1 2   17 9  o 218.4176 5.433999 485.4425       24.13563  597.9418       
44.64270  438.9791       28.69006  242.2393 9.062634 207.6561 6.794154 
34.58324       11.32660 
1 1 1 2   17 10 o 34.14125 14.45531 0.6226909      17.34529  23.57836       
30.85317  -9.985294      20.97352  54.92326 20.52822 33.21726 14.91638 
21.70600       25.37530 
1 1 1 2   17 11 o 221.4921 6.931565 499.9264       31.22058  438.1950       
44.96513  557.3888       43.38253  206.7716 10.73072 233.6842 9.129229 
-26.91258      14.08869 
1 1 1 2   17 12 f 154.2574 5.882030 242.4631       18.45120  215.3389       
25.60637  271.7562       26.61047  144.9275 8.729257 163.1599 8.020246 
-18.23244      11.85429 
1 1 1 2   17 13 o 324.5897 4.729645 1073.144       31.21869  1095.356       
44.84550  1052.258       43.48568  327.6354 6.730956 321.1373 6.658925 
6.498077       9.468212 
1 1 1 2   17 14 o 257.6839 4.799331 676.6295       25.14892  682.4407       
35.88858  671.0227       35.25185  258.4976 6.827289 256.3368 6.762693 
2.160858       9.609677 
1 1 1 2   17 15 o 180.9737 5.603840 334.1665       20.62304  284.6636       
28.18896  391.1761       30.25085  166.6845 8.316339 195.5173 7.608535 
-28.83273      11.27170 
1 1 1 2   17 16 o 101.4053 8.430704 106.2218       17.22744  127.0794       
24.23555  84.91863       24.49306  110.4304 10.93605 89.28996 13.94521 
21.14039       17.72191 
1 1 1 2   17 17 o 116.9019 11.51503 142.9436       27.01859  142.9436       
27.01859  0.000000       0.000000  116.9019 11.51503 ?        ?        
0.000000       11.51503 
1 1 1 2   17 18 o 147.5135 7.369190 223.2002       22.10563  263.6192       
31.33957  183.1785       31.18517  159.5228 9.707097 132.2749 11.71481 
27.24788       15.21396 
1 1 1 2   17 19 o 111.2067 9.278800 128.7214       20.79171  138.8834       
29.39100  118.5416       29.41685  114.3706 12.86014 105.0991 14.12133 
9.271568       19.09961 
1 1 1 2   17 20 o 225.3403 5.936135 521.1769       27.20158  550.8156       
39.04257  493.2186       37.91969  230.6175 8.325202 218.1187 8.549101 
12.49879       11.93298 
1 1 1 2   17 21 o 103.0077 11.16457 114.2269       23.01207  146.1938       
40.78417  99.29628       27.87278  111.6908 18.61151 93.86356 15.11592 
17.82719       23.97664 
1 1 1 2   17 22 o 34.64714 15.73458 -7.323411      24.11987  -7.323411      
24.11987  0.000000       0.000000  34.64714 15.73458 ?        ?        
0.000000       15.73458 
1 1 1 2   18 0  o 224.7975 3.551350 514.0525       16.23440  545.4214       
20.79195  465.0598       25.98427  231.5252 4.416167 213.7253 5.978651 
17.79994       7.432818 
1 1 1 2   18 1  o 172.3942 3.476364 302.3109       12.18707  300.0549       
15.30294  306.2230       20.15102  171.7279 4.382102 173.4425 5.713342 
-1.714554      7.200354 
1 1 1 2   18 2  o 291.7594 3.505435 865.8596       20.79784  876.7010       
29.60698  855.2983       29.22199  293.5207 4.960255 289.9159 4.956628 
3.604797       7.012296 
1 1 1 2   18 3  o 140.4109 4.218230 200.5625       12.04432  170.1327       
15.22193  251.5120       19.69652  129.2914 5.789601 157.1906 6.161855 
-27.89925      8.455053 
1 1 1 2   18 4  o 249.7162 3.583633 634.2468       18.19791  619.6207       
21.09877  676.7370       35.96149  246.8047 4.203899 257.8317 6.858828 
-11.02701      8.044642 
1 1 1 2   18 5  o 701.9329 7.233637 5015.497       103.2532  5015.497       
103.2532  0.000000       0.000000  701.9329 7.233637 ?        ?        
0.000000       7.233637 
1 1 1 2   18 6  o 523.2675 5.905121 2785.952       62.83535  2987.745       
115.3403  2700.787       74.93087  541.4794 10.47485 515.1229 7.153169 
26.35651       12.68425 
1 1 1 2   18 7  f 395.1455 5.157851 1588.446       41.44549  1698.929       
75.68540  1541.126       49.53217  408.4202 9.112835 389.1651 6.258957 
19.25507       11.05524 
1 1 1 2   18 8  o 493.7371 5.072341 2480.139       50.92789  2478.692       
72.04835  2481.584       71.99751  493.4431 7.180183 493.7316 7.170923 
-0.2885437     10.14777 
1 1 1 2   18 9  o 87.72546 8.377578 79.11955       14.76331  75.20191       
21.13093  82.85542       20.63486  84.89114 12.62502 89.35228 11.63228 
-4.461143      17.16686 
1 1 1 2   18 10 o 227.2903 4.796605 525.7283       22.17003  500.9960       
30.54620  553.2585       32.22764  221.7837 6.772923 233.0630 6.799918 
-11.27939      9.597467 
1 1 1 2   18 11 f 124.9602 7.624101 159.8284       19.28098  173.3121       
23.85749  134.4382       32.73815  129.9707 9.083801 113.4844 14.51907 
16.48624       17.12655 
1 1 1 2   18 12 o 228.7503 4.962517 532.9244       23.08422  507.7387       
32.00109  560.2477       33.33156  223.0910 7.053934 234.3496 6.994233 
-11.25859      9.933643 
1 1 1 2   18 13 o 62.15207 12.46540 41.16854       15.20661  8.481113       
21.29777  75.16242       21.71922  41.19104 16.57640 84.42363 13.07374 
-43.23259      21.11160 
1 1 1 2   18 14 o 132.4590 6.499050 179.1554       17.50583  140.3587       
24.60219  218.9441       24.91474  116.3879 10.50809 145.9822 8.428619 
-29.59430      13.47077 
1 1 1 2   18 15 o 54.46292 14.13716 32.00013       15.79416  9.087806       
22.17363  55.59745       22.50264  41.94425 16.90174 71.57001 15.87690 
-29.62576      23.18933 
1 1 1 2   18 16 o 91.49129 9.331566 86.97570       17.11841  90.41865       
23.78164  83.27359       24.66045  92.40233 13.01708 88.27378 14.22092 
4.128548       19.27898 
1 1 1 2   18 17 f 74.48690 17.24518 61.15797       25.60618  61.15797       
25.60618  0.000000       0.000000  74.48690 17.24518 ?        ?        
0.000000       17.24518 
1 1 1 2   18 18 o 168.5296 6.819016 291.0645       23.36950  291.0438       
32.76532  291.0859       33.34113  167.6012 9.654435 167.5571 9.828122 
0.4411316E-01  13.77680 
1 1 1 2   18 19 o 102.6987 10.14330 110.5500       20.90659  114.8884       
30.02510  106.4670       29.12806  103.0713 14.74522 99.08996 14.91793 
3.981323       20.97537 
1 1 1 2   18 20 o 78.36606 12.45867 66.60358       19.18959  89.30669       
27.75344  45.80773       26.56211  89.48170 15.83141 63.17651 19.07411 
26.30519       24.78821 
1 1 1 2   18 21 o 49.23178 15.86896 27.24394       18.06892  22.62589       
26.01722  31.54669       25.11336  48.61465 18.69453 53.16791 18.71175 
-4.553253      26.45024 
1 1 1 2   19 0  o 490.5358 5.324889 2448.998       53.11690  2471.625       
65.87546  2406.949       89.80408  492.6700 6.575308 485.8511 9.089530 
6.818909       11.21848 
1 1 1 2   19 1  o 321.7755 4.147453 1053.352       27.13850  1108.454       
34.63984  965.7797       43.66910  330.0331 5.161392 307.9503 6.973360 
22.08279       8.675696 
1 1 1 2   19 2  o 215.0651 6.732224 470.9329       29.44286  470.9329       
29.44286  0.000000       0.000000  215.0651 6.732224 ?        ?        
0.000000       6.732224 
1 1 1 2   19 3  o 406.4210 5.990196 1681.130       49.50723  1544.755       
67.74942  1837.394       72.52153  389.3885 8.556005 424.6884 8.397406 
-35.29990      11.98840 
1 1 1 2   19 4  o 425.6063 5.068260 1842.913       43.86502  1901.112       
55.49788  1746.032       71.60433  432.2008 6.314506 414.0369 8.504500 
18.16391       10.59243 
1 1 1 2   19 5  o 481.9323 6.759283 2363.834       66.24271  2363.834       
66.24271  0.000000       0.000000  481.9323 6.759283 ?        ?        
0.000000       6.759283 
1 1 1 2   19 6  o 240.9322 3.931710 590.4033       19.26317  623.7311       
27.36859  557.6839       27.11761  247.6033 5.435565 234.1202 5.695885 
13.48312       7.873276 
1 1 1 2   19 7  o 667.9669 6.108609 4540.301       82.97527  4510.104       
116.7738  4571.096       117.9241  665.4724 8.629070 669.9538 8.655784 
-4.481384      12.22225 
1 1 1 2   19 8  o 113.0501 6.349564 130.4915       14.53798  140.1212       
20.59705  120.9311       20.52278  116.9546 8.723118 108.5311 9.391434 
8.423515       12.81764 
1 1 1 2   19 9  o 175.0193 5.753035 311.7858       20.47549  338.4742       
34.41669  297.1647       25.47406  181.9609 9.332613 170.8094 7.333899 
11.15150       11.86945 
1 1 1 2   19 10 o 100.6126 7.689157 103.7819       15.61284  91.40180       
22.24988  115.7908       21.91374  93.78972 11.93646 105.9852 10.29764 
-12.19544      15.76453 
1 1 1 2   19 11 o 201.4704 5.738041 413.4762       23.50858  398.1494       
29.24641  441.4590       39.51783  197.5895 7.278760 207.8574 9.349237 
-10.26796      11.84857 
1 1 1 2   19 12 o 265.0037 6.787619 716.4492       36.57807  0.000000       
0.000000  716.4492       36.57807  ?        ?        265.0037 6.787619 
0.000000       6.787619 
1 1 1 2   19 13 o 36.78553 14.10530 9.590618       14.78518  15.75805       
20.38537  2.745569       21.47606  44.51743 16.67700 38.55315 16.19077 
5.964283       23.24356 
1 1 1 2   19 14 f 82.12063 9.604478 70.15549       15.73603  65.76098       
22.86238  74.11156       21.69193  78.27974 14.90662 83.64507 13.18986 
-5.365334      19.90426 
1 1 1 2   19 15 o 118.5826 7.321013 144.4565       17.56767  129.5972       
24.95207  159.0621       24.73819  111.5174 11.15257 123.9495 9.897106 
-12.43208      14.91082 
1 1 1 2   19 16 o 214.3324 5.386553 469.0204       23.47741  439.9836       
32.65675  500.0812       33.77566  207.1346 7.752983 220.8840 7.519485 
-13.74940      10.80053 
1 1 1 2   19 17 o 133.0382 10.69600 184.3502       28.69214  184.3502       
28.69214  0.000000       0.000000  133.0382 10.69600 ?        ?        
0.000000       10.69600 
1 1 1 2   19 18 o 152.0861 10.44134 240.8159       32.09657  0.000000       
0.000000  240.8159       32.09657  ?        ?        152.0861 10.44134 
0.000000       10.44134 
1 1 1 2   19 19 f 201.5312 6.285093 416.6388       25.75760  408.3221       
36.73445  424.6825       36.12666  198.5512 9.098075 202.6224 8.767767 
-4.071121      12.63522 
1 1 1 2   19 20 o 132.2193 8.077371 181.9955       21.61366  203.4120       
31.00354  161.7460       30.14711  138.4112 11.10870 122.7716 12.23836 
15.63964       16.52818 
1 1 1 2   19 21 o 47.49956 15.65430 25.22028       17.53621  46.84016       
25.14974  4.762696       24.46437  62.24385 18.50791 39.58492 16.97555 
22.65894       25.11398 
1 1 1 2   20 0  o 204.7955 3.543411 426.6135       14.75684  413.1370       
18.33790  451.3760       24.85752  201.5110 4.475063 210.5849 5.804691 
-9.073898      7.329436 
1 1 1 2   20 1  o 366.3113 3.876760 1364.957       28.87824  1317.186       
39.97704  1417.087       41.76137  359.7638 5.464390 373.1552 5.503435 
-13.39139      7.755473 
1 1 1 2   20 2  o 428.8562 4.278678 1870.985       37.31409  1828.224       
51.91217  1916.694       53.67199  423.8192 6.023336 433.9483 6.082166 
-10.12906      8.559983 
1 1 1 2   20 3  o 137.4054 4.135146 192.0515       11.55437  174.8040       
14.57467  221.2287       18.95649  131.0691 5.468235 147.4312 6.322908 
-16.36218      8.359470 
1 1 1 2   20 4  o 578.3511 5.357067 3403.200       63.00428  3378.244       
72.56284  3479.646       127.0022  576.1636 6.193227 584.2440 10.68970 
-8.080383      12.35418 
1 1 1 2   20 5  o 210.2152 4.358638 449.4944       18.63230  449.4944       
18.63230  0.000000       0.000000  210.2152 4.358638 ?        ?        
0.000000       4.358638 
1 1 1 2   20 6  o 359.1560 5.939260 1312.547       43.37774  1312.547       
43.37774  0.000000       0.000000  359.1560 5.939260 ?        ?        
0.000000       5.939260 
1 1 1 2   20 7  o 555.8604 5.393795 3143.779       60.96936  3225.813       
87.80282  3067.392       84.72682  562.8680 7.670973 548.8807 7.590870 
13.98737       10.79190 
1 1 1 2   20 8  o 380.7756 4.582495 1475.094       35.48318  1464.896       
49.67966  1485.714       50.69740  379.3464 6.440081 382.0264 6.525908 
-2.679993      9.168539 
1 1 1 2   20 9  o 330.2562 5.201925 1110.053       34.93546  1069.982       
57.56887  1133.412       43.95397  323.9551 8.738794 333.6240 6.478723 
-9.668915      10.87844 
1 1 1 2   20 10 o 361.0456 4.702913 1326.781       34.52872  1345.584       
48.59448  1307.608       49.07098  363.4138 6.575581 358.2308 6.736129 
5.182983       9.413485 
1 1 1 2   20 11 o 242.4847 6.716687 599.5329       33.12005  599.5329       
33.12005  0.000000       0.000000  242.4847 6.716687 ?        ?        
0.000000       6.716687 
1 1 1 2   20 12 o 126.7661 6.687478 164.4233       17.17819  185.8907       
24.20642  142.6438       24.38179  134.5010 8.900523 117.5102 10.30738 
16.99078       13.61842 
1 1 1 2   20 13 o 24.41790 11.47051 -15.13707      14.50863  -21.03162      
20.51704  -9.241067      20.51957  29.05991 13.64769 32.81506 14.74365 
-3.755148      20.09066 
1 1 1 2   20 14 o 169.6474 5.586071 293.6568       19.27104  308.3686       
27.18957  278.8061       27.31762  173.5711 7.703239 164.9774 8.142673 
8.593765       11.20906 
1 1 1 2   20 15 o 275.4237 4.962821 773.7753       27.79595  795.8610       
39.77541  752.6951       38.85940  278.8826 7.013613 271.2062 7.046041 
7.676422       9.941703 
1 1 1 2   20 16 o 139.8599 6.914442 200.3155       19.66535  193.2710       
27.35029  207.8555       28.29580  136.5215 9.919429 141.6124 9.887895 
-5.090805      14.00591 
1 1 1 2   20 17 o 90.75906 13.15384 87.77123       23.56938  66.05760       
27.27499  151.7929       46.83407  77.18795 17.74743 116.8172 20.46096 
-39.62924      27.08546 
1 1 1 2   20 18 o 130.4652 8.350776 176.0336       22.03880  111.4236       
31.36797  239.0185       30.97095  101.3146 15.73573 151.5475 10.10772 
-50.23293      18.70238 
1 1 1 2   20 19 o 96.97835 10.44690 99.19213       20.27706  102.7514       
29.68356  96.07813       27.76469  96.68992 15.63001 93.66782 15.08898 
3.022095       21.72497 
1 1 1 2   20 20 o 50.07600 16.27982 27.54987       18.98962  50.60327       
27.64675  6.959280       26.12829  65.53103 19.38657 42.19466 17.79647 
23.33636       26.31642 
1 1 1 2   20 21 o 40.79117 15.15963 16.17813       16.77874  15.70889       
24.64312  16.58366       22.90910  44.19216 17.81438 43.82534 17.33891 
0.3668251      24.85940 
1 1 1 2   21 0  o 540.5912 4.992189 2973.567       54.87966  3061.077       
79.50444  2893.922       75.84773  548.2791 7.130801 533.1140 6.996343 
15.16504       9.989852 
1 1 1 2   21 1  o 262.0725 3.375902 698.5602       17.99131  719.4033       
25.81824  678.8846       25.08472  265.9109 4.774623 258.3139 4.775403 
7.596954       6.752888 
1 1 1 2   21 2  o 140.5682 3.426924 200.9688       9.795869  217.9623       
14.02585  184.7858       13.68726  146.3707 4.712197 134.7666 4.994392 
11.60411       6.866495 
1 1 1 2   21 3  o 81.45888 5.441059 67.81691       8.961231  67.67867       
11.71583  68.01181       13.91129  81.22118 7.166857 81.26955 8.545609 
-0.4837799E-01 11.15308 
1 1 1 2   21 4  o 331.1976 3.909742 1115.688       26.33217  1094.869       
30.42060  1177.900       52.58754  328.0731 4.559799 340.1465 7.602657 
-12.07343      8.865222 
1 1 1 2   21 5  o 56.12709 13.39569 33.44677       15.07694  33.44677       
15.07694  0.000000       0.000000  56.12709 13.39569 ?        ?        
0.000000       13.39569 
1 1 1 2   21 6  o 267.2810 3.911324 726.6219       21.25902  726.3091       
24.88223  727.4673       40.91114  267.2062 4.579217 267.3109 7.526163 
-0.1046448     8.809788 
1 1 1 2   21 7  o 115.0933 8.545968 135.6834       19.85874  0.000000       
0.000000  135.6834       19.85874  ?        ?        115.0933 8.545968 
0.000000       8.545968 
1 1 1 2   21 8  o 195.2144 4.746182 387.7536       18.84116  394.1452       
26.59906  381.3173       26.69204  196.7490 6.648171 193.5153 6.782892 
3.233719       9.497674 
1 1 1 2   21 9  o 230.0175 5.276077 538.5540       24.67876  553.7164       
40.81167  529.8138       30.98579  233.0160 8.612855 228.0664 6.681129 
4.949646       10.90040 
1 1 1 2   21 10 o 142.8494 5.926191 207.8671       17.21494  176.7076       
23.07792  246.9562       25.84811  131.2835 8.693609 155.3550 8.211019 
-24.07155      11.95825 
1 1 1 2   21 11 o 195.3909 6.225297 389.2155       24.73523  383.1326       
29.05935  405.2151       47.12847  193.7538 7.375378 198.3546 11.73617 
-4.600815      13.86123 
1 1 1 2   21 12 o 247.3256 4.875562 623.2327       24.52140  624.4211       
34.57177  622.0294       34.78622  247.3112 6.874266 246.8289 6.930423 
0.4823303      9.761470 
1 1 1 2   21 13 o 303.8827 4.750517 941.1264       29.35609  914.1902       
40.80709  970.0186       42.26273  299.1557 6.707906 308.1470 6.744475 
-8.991333      9.512305 
1 1 1 2   21 14 o 133.7001 6.469281 182.6637       17.58892  185.2912       
25.21472  180.1735       24.54768  133.9886 9.311958 132.1416 9.192461 
1.847031       13.08487 
1 1 1 2   21 15 o 121.9958 8.415863 153.5091       20.75060  133.1205       
35.17226  164.3945       25.69974  111.4683 15.97323 125.8772 10.12558 
-14.40882      18.91220 
1 1 1 2   21 16 o 40.19883 15.08832 13.09033       16.70222  34.56311       
23.82493  -7.660979      23.42126  57.08354 18.20348 35.71354 15.91909 
21.37001       24.18231 
1 1 1 2   21 17 o 157.3974 8.264871 255.5497       26.36106  237.3228       
30.32764  311.8780       53.31446  151.1855 9.919549 171.0021 15.50021 
-19.81659      18.40256 
1 1 1 2   21 18 o 33.34246 14.62248 -3.233958      19.00324  8.505376       
28.29849  -12.87581      25.64613  45.16475 18.74620 35.64566 16.20219 
9.519093       24.77763 
1 1 1 2   21 19 o 117.7799 8.918332 144.7620       21.20183  167.5693       
31.65635  126.2094       28.55131  125.2381 12.60115 108.2536 13.24611 
16.98444       18.28246 
1 1 1 2   21 20 o 96.13014 10.17426 98.50813       19.58676  101.7054       
28.38544  95.60217       27.06166  95.15698 15.17915 92.35085 14.91850 
2.806129       21.28305 
1 1 1 2   21 21 o 73.25660 12.47832 60.22218       17.92265  79.12708       
26.20749  43.61260       24.56506  81.70511 16.34421 59.55016 18.41423 
22.15495       24.62148 
1 1 1 2   22 0  o 259.2609 3.803359 683.6990       20.05191  691.3202       
25.13828  670.3672       33.24799  260.6736 4.742277 256.6302 6.370979 
4.043396       7.942202 
1 1 1 2   22 1  o 757.6334 7.582576 5845.031       116.8227  5846.024       
143.4874  5843.078       201.1998  757.4105 9.316033 756.3950 13.08059 
1.015442       16.05897 
1 1 1 2   22 2  o 331.2483 5.170301 1116.380       34.82739  1094.181       
48.74589  1139.528       49.77704  327.8315 7.311993 334.5555 7.316601 
-6.723999      10.34398 
1 1 1 2   22 3  o 245.9887 3.554300 615.4290       17.77955  611.0541       
20.87811  626.9744       33.91671  245.0990 4.188884 248.1927 6.720063 
-3.093643      7.918712 
1 1 1 2   22 4  o 298.3058 3.790642 905.0725       22.99460  890.7593       
26.70114  946.1591       45.23885  295.9201 4.437148 304.8698 7.297021 
-8.949768      8.540187 
1 1 1 2   22 5  o 207.3585 4.495932 437.3849       18.95802  437.3849       
18.95802  0.000000       0.000000  207.3585 4.495932 ?        ?        
0.000000       4.495932 
1 1 1 2   22 6  o 183.2421 4.124638 341.5508       15.36960  335.4571       
18.09618  357.3267       29.11657  181.5844 4.900687 187.3301 7.643305 
-5.745728      9.079473 
1 1 1 2   22 7  o 338.9807 6.132024 1169.627       42.26980  1169.627       
42.26980  0.000000       0.000000  338.9807 6.132024 ?        ?        
0.000000       6.132024 
1 1 1 2   22 8  o 472.5746 5.045070 2272.775       48.48295  2238.216       
67.51608  2309.569       69.66489  468.7614 7.082783 476.1612 7.194633 
-7.399780      10.09597 
1 1 1 2   22 9  o 319.4802 5.181533 1039.060       33.66306  1029.527       
55.76876  1044.524       42.22275  317.6666 8.633124 320.2083 6.484290 
-2.541687      10.79708 
1 1 1 2   22 10 o 76.10248 9.575642 60.12722       14.49087  29.56098       
19.75581  95.72474       21.31983  53.50813 16.50828 96.04799 11.12125 
-42.53986      19.90491 
1 1 1 2   22 11 o 149.7792 7.181880 228.9961       21.87465  201.4047       
24.92315  321.5392       45.64449  140.0585 8.795338 176.2811 12.82082 
-36.22266      15.54771 
1 1 1 2   22 12 o 217.0156 4.964587 479.9611       21.90915  477.7060       
30.78300  482.2762       31.18944  216.2590 6.999796 217.2826 7.058805 
-1.023590      9.941019 
1 1 1 2   22 13 f 55.52121 13.45444 33.22123       15.03150  15.30409       
20.86635  52.54871       21.67204  44.42171 16.82236 69.63071 15.68248 
-25.20900      22.99852 
1 1 1 2   22 14 o 102.3814 7.802907 108.0108       16.12302  102.5976       
22.52027  113.7030       23.09331  99.01849 11.39183 104.3859 11.04696 
-5.367393      15.86849 
1 1 1 2   22 15 o 93.19180 10.15246 90.64716       18.92850  64.05997       
30.42012  107.4448       24.17960  75.85960 19.58501 101.0711 11.99880 
-25.21152      22.96832 
1 1 1 2   22 16 o 164.3219 6.314861 276.3645       21.10137  268.7153       
29.31944  284.5842       30.39321  161.2511 8.976897 165.9390 9.041019 
-4.687943      12.74067 
1 1 1 2   22 17 o 80.66633 15.31153 70.98997       24.19798  38.15005       
26.97811  206.1436       54.72985  59.69723 19.40409 136.1772 20.39106 
-76.47993      28.14808 
1 1 1 2   22 18 o 116.5881 10.31417 142.4060       24.20112  150.8921       
44.10326  138.7497       28.94889  116.0083 19.37881 114.2225 12.67701 
1.785843       23.15696 
1 1 1 2   22 19 o 142.7650 7.535613 211.1557       21.79970  218.3013       
31.88276  204.8821       29.87405  143.6875 10.99497 139.3561 10.62184 
4.331436       15.28767 
1 1 1 2   22 20 o 86.70837 11.00048 81.26680       18.96021  104.9810       
28.34151  62.05556       25.50915  96.51647 14.92143 72.46813 17.50628 
24.04834       23.00258 
1 1 1 2   22 21 o 122.6921 7.779922 158.8350       19.31035  148.4060       
27.83127  168.5163       26.81498  115.7461 11.99859 124.4196 10.70250 
-8.673477      16.07824 
1 1 1 2   23 0  o 678.6278 5.989374 4686.798       82.65413  4755.300       
118.4687  4621.829       115.3739  683.2531 8.526493 673.6111 8.422617 
9.642029       11.98506 
1 1 1 2   23 1  o 643.0224 5.738381 4207.484       75.03552  4206.222       
106.1700  4208.745       106.0626  642.6667 8.123902 642.8608 8.113230 
-0.1940918     11.48139 
1 1 1 2   23 2  o 478.7413 5.321211 2331.915       51.80394  2466.010       
92.74004  2271.096       62.45638  491.9805 9.269750 472.3795 6.501811 
19.60098       11.32262 
1 1 1 2   23 3  o 258.2986 3.626201 678.5723       19.04695  680.5882       
22.47278  673.4308       35.88985  258.6668 4.272329 257.2182 6.861490 
1.448578       8.082873 
1 1 1 2   23 4  o 587.1377 5.440443 3507.500       64.95695  3489.979       
74.97269  3560.249       130.0866  585.6017 6.295777 590.9402 10.82524 
-5.338501      12.52288 
1 1 1 2   23 5  o 409.9448 6.287743 1710.372       52.41692  1710.372       
52.41692  0.000000       0.000000  409.9448 6.287743 ?        ?        
0.000000       6.287743 
1 1 1 2   23 6  o 460.2666 4.747608 2155.317       44.43608  2136.295       
51.33799  2212.137       88.72909  458.1815 5.509979 465.8745 9.365817 
-7.693024      10.86639 
1 1 1 2   23 7  o 347.1302 4.998140 1226.201       35.28193  1190.711       
43.45615  1294.839       60.43491  341.9912 6.248631 356.4537 8.337451 
-14.46255      10.41914 
1 1 1 2   23 8  o 482.8066 5.783511 2373.310       56.78271  2438.807       
71.75467  2263.574       92.87788  489.2401 7.212349 470.9370 9.698356 
18.30307       12.08619 
1 1 1 2   23 9  o 369.0093 6.256773 1387.326       46.95039  1372.229       
66.48552  1402.344       66.31058  366.6123 8.918024 370.6337 8.798052 
-4.021362      12.52744 
1 1 1 2   23 10 o 443.5781 5.666876 2004.913       51.11698  1980.497       
62.73504  2053.145       88.17353  440.6197 7.001561 447.9601 9.679378 
-7.340454      11.94622 
1 1 1 2   23 11 o 315.6994 6.608929 1017.095       42.42837  1017.095       
42.42837  0.000000       0.000000  315.6994 6.608929 ?        ?        
0.000000       6.608929 
1 1 1 2   23 12 o 276.4721 5.303730 779.4104       29.81839  757.7742       
37.01216  819.4249       50.33416  272.3794 6.682189 282.7851 8.752958 
-10.40570      11.01208 
1 1 1 2   23 13 o 275.5069 5.429044 774.4619       30.41636  797.4965       
38.59635  736.7120       49.40976  279.2988 6.795567 267.8750 9.070455 
11.42377       11.33371 
1 1 1 2   23 14 o 169.2172 6.334700 292.7318       21.79827  297.9695       
27.67744  284.1756       35.37478  170.4526 7.984922 165.6096 10.55908 
4.843033       13.23832 
1 1 1 2   23 15 o 24.50741 11.87799 -29.79696      18.34552  -41.83953      
29.70636  -22.37261      23.32487  32.13864 15.46136 31.13978 14.60114 
0.9988613      21.26610 
1 1 1 2   23 16 o 116.4392 8.587468 140.3598       20.19018  158.3240       
27.64523  119.8250       29.55700  122.9754 11.17683 105.9120 14.07181 
17.06339       17.97046 
1 1 1 2   23 17 o 88.29302 14.63362 84.42675       25.35407  69.01713       
28.15050  150.6322       58.34947  78.55252 18.00749 112.7706 25.97919 
-34.21810      31.60994 
1 1 1 2   23 18 o 174.5062 7.853462 314.0948       27.86913  255.5613       
45.66447  348.8371       35.18081  154.0701 14.75547 183.0811 9.482048 
-29.01094      17.53947 
1 1 1 2   23 19 o 56.45691 16.06837 36.06023       19.33102  55.22937       
29.24572  21.18702       25.76103  68.50858 19.84657 48.66927 18.62902 
19.83931       27.21997 
1 1 1 2   23 20 f 44.20161 15.77051 20.36427       17.89756  25.24809       
25.95567  15.93725       24.71204  49.68966 18.77529 44.59527 17.88764 
5.094395       25.93220 
1 1 1 2   23 21 o 58.23079 14.79933 40.41075       17.56137  68.15797       
25.65744  15.95456       24.08785  74.25992 17.31015 43.22303 17.54616 
31.03688       24.64770 
1 1 1 2   24 0  o 274.0170 3.450147 763.6628       19.22501  781.2131       
27.55461  747.0157       26.83617  277.1076 4.889838 270.9752 4.870119 
6.132385       6.901346 
1 1 1 2   24 1  o 585.9076 6.144405 3493.581       73.20831  3497.990       
126.1365  3491.341       89.89905  585.7581 10.58940 585.5854 7.549417 
0.1726685      13.00496 
1 1 1 2   24 2  o 593.7884 6.236818 3588.251       75.30888  3458.909       
125.6147  3660.825       94.09406  582.4841 10.60486 599.6174 7.716788 
-17.13330      13.11533 
1 1 1 2   24 3  o 194.6033 4.169284 385.2129       16.49921  357.6951       
20.71327  432.9825       27.29085  187.4968 5.432545 206.2560 6.506672 
-18.75922      8.476398 
1 1 1 2   24 4  o 945.1704 8.056309 9097.769       154.8452  9108.125       
179.2801  9067.354       307.2339  945.4521 9.324836 941.3630 16.04947 
4.089050       18.56173 
1 1 1 2   24 5  o 268.9933 3.977911 736.0207       21.75945  715.7382       
25.10534  797.2643       43.62495  265.2402 4.654525 279.7988 7.667215 
-14.55859      8.969437 
1 1 1 2   24 6  o 100.0756 6.136593 102.3325       12.42810  106.9865       
15.44656  93.78891       20.92857  102.2162 7.483241 95.23539 11.00955 
6.980827       13.31199 
1 1 1 2   24 7  o 362.3098 4.380325 1335.647       32.27289  1363.523       
38.27786  1267.114       60.01770  366.0218 5.142677 352.5588 8.371367 
13.46301       9.824812 
1 1 1 2   24 8  o 176.6327 5.004832 317.5895       17.97678  316.1269       
25.40677  319.0558       25.43928  176.1227 7.093863 176.9380 7.070208 
-0.8153687     10.01552 
1 1 1 2   24 9  o 284.7541 4.547825 825.4523       26.33450  750.5687       
35.41052  918.1223       39.39207  271.3668 6.416884 300.1273 6.454340 
-28.76056      9.101369 
1 1 1 2   24 10 o 101.4801 8.127178 105.8938       16.63079  110.3056       
21.96808  99.97079       25.45408  103.1885 10.62079 97.68180 13.14819 
5.506714       16.90195 
1 1 1 2   24 11 o 84.96575 11.31324 75.53011       19.06127  77.92627       
21.76476  67.64227       39.48887  85.99107 12.83991 78.78062 23.13081 
7.210449       26.45558 
1 1 1 2   24 12 o 191.7657 7.474526 376.2143       29.14782  0.000000       
0.000000  376.2143       29.14782  ?        ?        191.7657 7.474526 
0.000000       7.474526 
1 1 1 2   24 13 o 137.3370 6.384069 192.7685       17.82939  198.6391       
24.99683  186.6888       25.43809  138.7993 8.903131 134.4420 9.363049 
4.357300       12.92023 
1 1 1 2   24 14 o 191.3528 5.349213 373.8458       20.81498  361.6297       
29.21841  386.4341       29.66022  187.7943 7.651078 194.1574 7.512232 
-6.363083      10.72253 
1 1 1 2   24 15 o 104.7651 9.619895 114.2214       20.26561  77.34801       
32.96294  136.6280       25.69550  83.01320 19.80355 114.2190 11.20721 
-31.20583      22.75483 
1 1 1 2   24 16 o 151.2831 7.021033 234.8160       21.59946  252.2853       
30.68314  217.6551       30.41116  155.8795 9.728228 144.5200 10.41780 
11.35959       14.25373 
1 1 1 2   24 17 o 137.0131 10.04631 195.7967       27.79597  185.9682       
31.88213  226.9369       56.74971  132.8284 11.93058 142.5427 20.13877 
-9.714325      23.40746 
1 1 1 2   24 18 o 61.57328 16.94966 42.72855       21.89357  82.34345       
41.64948  27.60247       25.73615  82.85443 23.58721 52.57165 18.89484 
30.28278       30.22203 
1 1 1 2   24 19 o 34.25387 14.78952 0.5402174      18.81223  16.75809       
27.75152  -13.24850      25.58891  47.20223 18.94786 34.80387 15.95750 
12.39836       24.77223 
1 1 1 2   24 20 o 40.48523 17.05385 8.322359       23.94415  0.000000       
0.000000  8.322359       23.94415  ?        ?        40.48523 17.05385 
0.000000       17.05385 
1 1 1 2   25 0  o 221.6375 3.737091 499.6375       16.84335  523.2216       
28.75696  487.3217       20.78097  226.7395 6.236835 218.8680 4.669087 
7.871536       7.790923 
1 1 1 2   25 1  o 241.9632 3.859877 595.4936       18.99215  588.2537       
31.82086  599.4997       23.67049  240.4077 6.508966 242.7519 4.795051 
-2.344177      8.084500 
1 1 1 2   25 2  o 353.7628 4.506233 1273.099       32.41733  1385.940       
58.02052  1221.886       39.08739  368.9294 7.733693 346.5300 5.546825 
22.39944       9.517209 
1 1 1 2   25 3  o 612.9293 5.629555 3822.875       70.16748  3842.052       
81.84929  3769.708       136.2856  614.3776 6.551310 607.9626 11.02355 
6.414978       12.82335 
1 1 1 2   25 4  o 365.1419 4.173903 1356.281       30.99242  1363.795       
36.46189  1336.719       58.83247  366.1194 4.897394 362.2715 7.986038 
3.847809       9.368099 
1 1 1 2   25 5  o 570.0372 5.401991 3306.850       62.61935  3266.098       
71.97268  3433.788       127.0233  566.4287 6.248431 580.1081 10.76770 
-13.67938      12.44935 
1 1 1 2   25 6  o 568.7579 10.70927 3302.435       123.8622  0.000000       
0.000000  3302.435       123.8622  ?        ?        568.7579 10.70927 
0.000000       10.70927 
1 1 1 2   25 7  o 380.1184 4.460888 1470.371       34.48194  1476.353       
40.54569  1454.738       65.54734  380.8300 5.235548 377.6672 8.534820 
3.162750       10.01270 
1 1 1 2   25 8  o 110.1634 6.935457 124.1977       15.45757  96.69262       
21.11752  155.9444       22.68743  96.60345 10.94277 123.2376 9.117678 
-26.63412      14.24347 
1 1 1 2   25 9  o 95.45708 7.866668 93.65935       15.13440  105.6773       
21.23387  81.25010       21.57681  101.0426 10.48685 88.10281 12.38533 
12.93977       16.22869 
1 1 1 2   25 10 o 206.9521 5.387314 436.5364       22.67220  414.9536       
28.32869  474.9928       37.81444  201.6130 6.909657 215.4647 8.630384 
-13.85172      11.05563 
1 1 1 2   25 11 o 137.0190 7.668451 192.6239       21.28105  194.9001       
24.76096  186.1903       41.62934  137.6164 8.895621 132.8051 15.71965 
4.811279       18.06211 
1 1 1 2   25 12 o 88.91182 8.815807 81.89785       15.72933  63.66090       
21.31226  103.7161       23.31115  77.08350 14.11639 99.52599 11.74419 
-22.44249      18.36296 
1 1 1 2   25 13 o 55.51512 13.77716 33.38208       15.47986  26.61665       
21.41728  40.78219       22.39937  51.46671 17.30934 61.21862 17.25256 
-9.751911      24.43898 
1 1 1 2   25 14 o 105.9119 8.005841 115.8287       17.11528  120.3973       
23.66278  110.8162       24.78558  107.2799 11.00234 102.5684 12.11728 
4.711502       16.36704 
1 1 1 2   25 15 o 99.82133 10.20368 104.1901       20.42128  136.1630       
33.36155  85.03164       25.82472  112.6592 14.93002 88.67358 14.84639 
23.98566       21.05518 
1 1 1 2   25 16 o 130.3316 8.274352 175.6759       21.81615  185.3984       
28.38598  161.6460       34.09917  133.2101 10.56559 123.1298 13.85945 
10.08037       17.42745 
1 1 1 2   25 17 f 111.8783 11.41143 132.1427       25.59849  112.7789       
28.50282  212.8967       58.20700  102.2825 14.07660 136.6432 21.67092 
-34.36071      25.84143 
1 1 1 2   25 18 o 54.75693 17.58241 33.01394       22.19769  -15.57118      
38.00536  58.16942       27.34698  43.00159 19.61431 70.95407 18.69228 
-27.95248      27.09469 
1 1 1 2   25 19 o 32.00819 14.20942 -3.775776      18.46882  -25.29905      
26.32853  17.07529       25.91413  32.06711 15.18198 46.17261 18.38608 
-14.10550      23.84408 
1 1 1 2   25 20 o 39.65945 15.89822 12.42030       19.50797  22.29231       
35.04931  7.989433       23.48124  50.38129 20.88304 39.78832 16.83105 
10.59296       26.82136 
1 1 1 2   26 0  o 191.6481 3.736471 373.5804       14.56188  342.0718       
23.58075  393.0028       18.51373  183.3276 6.325259 196.5482 4.632052 
-13.22057      7.839949 
1 1 1 2   26 1  o 161.8016 3.869150 266.2895       12.73063  304.6752       
21.56736  245.7632       15.77127  173.0209 6.129809 155.4208 4.990065 
17.60014       7.904132 
1 1 1 2   26 2  o 219.9400 3.496090 492.0053       15.63645  506.9004       
22.42626  477.9137       21.81305  223.2085 4.940772 216.7323 4.949271 
6.476166       6.993319 
1 1 1 2   26 3  o 464.9677 4.178681 2199.270       39.51058  2127.907       
50.20643  2315.362       64.03651  457.2873 5.399068 476.9081 6.603003 
-19.62085      8.529337 
1 1 1 2   26 4  o 317.1061 4.041080 1022.936       26.05875  1036.925       
31.03630  989.5114       47.97515  319.2350 4.780881 311.6865 7.569145 
7.548523       8.952585 
1 1 1 2   26 5  o 412.1233 5.189316 1728.550       43.48993  1728.379       
54.32592  1728.856       72.56995  411.9948 6.484312 411.8156 8.665679 
0.1792297      10.82314 
1 1 1 2   26 6  o 249.2179 7.620793 633.0001       38.62165  0.000000       
0.000000  633.0001       38.62165  ?        ?        249.2179 7.620793 
0.000000       7.620793 
1 1 1 2   26 7  o 196.8624 5.707283 394.6783       22.84776  389.5482       
32.91247  399.4500       31.74249  195.4057 8.282700 197.9046 7.887393 
-2.498978      11.43740 
1 1 1 2   26 8  o 315.4987 5.890665 1014.244       37.79317  987.2765       
53.30388  1041.505       53.59252  310.9292 8.430357 319.3835 8.251641 
-8.454285      11.79663 
1 1 1 2   26 9  o 151.3543 6.270637 233.6270       19.30002  199.2648       
30.34473  256.9707       25.01078  138.9578 10.82402 158.6092 7.754385 
-19.65141      13.31503 
1 1 1 2   26 10 o 112.2284 8.448807 129.6377       19.14044  152.2321       
29.17304  112.5603       25.36253  120.9710 12.01811 103.7977 12.25200 
17.17326       17.16235 
1 1 1 2   26 11 o 169.0378 7.875939 292.5460       27.07307  283.1086       
33.91644  309.1190       44.94538  165.6198 10.11894 172.3018 12.92166 
-6.682007      16.41226 
1 1 1 2   26 12 o 125.2004 7.571395 161.1322       19.18604  138.8002       
30.66177  175.5027       24.59629  114.7964 13.38600 130.3249 9.342911 
-15.52852      16.32406 
1 1 1 2   26 13 o 106.7679 8.802138 117.9879       18.94051  113.1179       
30.75340  120.9640       24.04115  102.7686 15.17197 107.5514 11.15448 
-4.782799      18.83112 
1 1 1 2   26 14 o 81.14209 11.86914 69.85492       19.00560  53.09757       
31.16730  79.77477       23.97999  69.12867 20.61449 86.11756 14.18738 
-16.98889      25.02477 
1 1 1 2   26 15 o 68.53339 14.14622 51.21155       19.06132  51.59641       
31.10791  50.98018       24.11976  67.98092 20.66815 67.64507 17.42677 
0.3358459      27.03451 
1 1 1 2   26 16 o 97.78109 12.38114 101.6878       24.06724  100.4191       
37.62484  102.5665       31.31086  93.97978 20.28222 96.63347 16.52766 
-2.653687      26.16356 
1 1 1 2   26 17 f 95.95613 17.59274 103.0027       33.06363  79.73099       
41.34184  144.3062       55.07692  81.91769 23.55776 109.3566 25.27379 
-27.43893      34.55043 
1 1 1 2   26 18 o 40.22983 17.20994 3.319170       25.03427  0.000000       
0.000000  3.319170       25.03427  ?        ?        40.22983 17.20994 
0.000000       17.20994 
1 1 1 2   26 19 o 57.79343 17.29499 39.30467       21.90937  -5.353586      
37.99975  61.54301       26.81520  44.25779 19.95739 71.52388 18.34717 
-27.26609      27.10934 
1 1 1 2   26 20 o 67.30228 14.93317 53.68287       19.90350  53.43492       
35.24588  53.79895       24.11689  63.01957 22.16870 65.63760 17.67466 
-2.618023      28.35216 
1 1 1 2   27 0  o 212.3753 3.845072 458.7815       16.60581  451.9324       
27.44454  462.7372       20.85701  210.7083 6.405057 213.2645 4.809300 
-2.556259      8.009626 
1 1 1 2   27 1  o 336.2831 3.846112 1150.303       26.30138  1105.655       
36.49562  1198.549       37.93781  329.6235 5.444664 343.1918 5.436056 
-13.56830      7.693834 
1 1 1 2   27 2  o 205.5335 3.565845 429.6842       14.90378  462.4988       
21.61081  399.9221       20.58114  213.1993 4.984641 198.2487 5.105140 
14.95058       7.135061 
1 1 1 2   27 3  o 217.8184 3.384790 482.5793       14.99263  488.9576       
20.13765  474.6470       22.45702  219.2220 4.517240 215.9705 5.113359 
3.251541       6.822896 
1 1 1 2   27 4  o 402.7676 4.388859 1650.534       35.94658  1634.548       
41.74901  1696.353       70.68072  400.7633 5.122793 407.9381 8.520308 
-7.174744      9.941763 
1 1 1 2   27 5  o 375.1601 4.329860 1432.121       33.03254  1446.312       
38.97952  1395.965       62.21964  376.9608 5.084976 370.0278 8.268785 
6.932983       9.707203 
1 1 1 2   27 6  o 297.3091 7.840934 901.3460       47.40535  0.000000       
0.000000  901.3460       47.40535  ?        ?        297.3091 7.840934 
0.000000       7.840934 
1 1 1 2   27 7  o 314.0056 4.281085 1003.584       27.33649  1000.373       
32.17069  1011.927       51.85086  313.4385 5.047272 314.8810 8.097633 
-1.442474      9.541835 
1 1 1 2   27 8  o 274.6000 4.787163 767.9415       26.73192  774.1181       
33.36411  756.8675       44.67438  275.5798 5.953614 272.2061 8.070664 
3.373718       10.02902 
1 1 1 2   27 9  o 130.6825 5.923995 174.1747       15.74286  155.3724       
22.04504  193.7421       22.48912  122.8803 8.882028 137.4132 8.083694 
-14.53288      12.00985 
1 1 1 2   27 10 o 301.2820 8.598474 930.0756       52.68003  0.000000       
0.000000  930.0756       52.68003  ?        ?        301.2820 8.598474 
0.000000       8.598474 
1 1 1 2   27 11 o 138.7526 7.393022 197.6110       20.78479  198.5418       
23.57279  194.3598       44.05810  138.8936 8.385300 135.1726 16.36139 
3.720978       18.38501 
1 1 1 2   27 12 o 276.7940 4.752302 781.4488       26.74928  739.6956       
36.38936  830.5325       39.45470  268.8926 6.654941 284.8837 6.810511 
-15.99112      9.522148 
1 1 1 2   27 13 o 112.0334 7.624646 129.3719       17.26742  165.5827       
24.22663  91.98265       24.61769  126.3733 9.496723 92.92740 13.41575 
33.44587       16.43686 
1 1 1 2   27 14 o 138.1143 6.785444 195.5651       19.05761  211.4635       
26.70628  179.0690       27.20366  142.8322 9.244224 131.0826 10.28805 
11.74962       13.83111 
1 1 1 2   27 15 o 102.8959 8.973761 110.1698       18.58896  98.06877       
25.90964  123.0060       26.68501  95.56689 13.72623 107.7000 12.41140 
-12.13308      18.50546 
1 1 1 2   27 16 o 138.0597 8.024772 197.1599       22.43228  208.6763       
29.64791  181.7388       34.30790  141.2477 10.39498 130.6947 13.08455 
10.55301       16.71110 
1 1 1 2   27 17 o 154.0501 9.177742 247.4093       28.62038  222.4650       
32.89555  325.1021       58.05532  145.1555 11.23170 171.9397 16.81946 
-26.78424      20.22487 
1 1 1 2   27 18 o 89.97756 13.09003 88.59264       23.24892  60.15549       
40.29150  102.7867       28.46581  70.27166 23.74080 95.99550 15.07920 
-25.72384      28.12486 
1 1 1 2   27 19 o 50.19839 16.00340 29.02223       18.41495  -16.77834      
26.71189  70.50417       25.42135  34.04482 15.85180 77.16140 16.68683 
-43.11658      23.01586 
1 1 1 2   27 20 o 118.0138 8.994155 149.8162       21.42212  136.2159       
38.30415  156.0061       25.84123  103.6262 18.87242 119.0377 10.79257 
-15.41153      21.74046 
1 1 1 2   28 0  o 168.7748 3.944817 289.7646       13.53898  317.9131       
22.45108  273.6780       16.97234  176.7184 6.247468 163.9968 5.089263 
12.72156       8.058005 
1 1 1 2   28 1  o 275.6590 3.631498 772.9453       20.35680  796.3772       
29.16836  750.6944       28.42380  279.7477 5.127364 271.6047 5.146279 
8.142944       7.264575 
1 1 1 2   28 2  o 238.1434 3.617785 576.8868       17.51995  609.3140       
25.28532  546.9424       24.29806  244.6925 5.081553 231.8277 5.154124 
12.86475       7.237898 
1 1 1 2   28 3  o 437.6622 4.069628 1948.777       36.21973  2039.294       
48.78226  1837.574       54.06970  447.6118 5.359311 424.8164 6.258948 
22.79544       8.239942 
1 1 1 2   28 4  o 261.7372 5.769164 697.4907       30.70646  697.4907       
30.70646  0.000000       0.000000  261.7372 5.769164 ?        ?        
0.000000       5.769164 
1 1 1 2   28 5  o 85.69649 6.667553 75.27467       11.52786  74.22960       
14.26648  77.24068       19.56760  84.89695 8.372702 86.15437 11.45264 
-1.257423      14.18679 
1 1 1 2   28 6  o 345.7509 5.043486 1217.186       35.46056  1219.590       
45.28951  1213.378       57.00568  345.9395 6.437926 344.8237 8.129609 
1.115875       10.37003 
1 1 1 2   28 7  o 165.9764 4.770441 280.5279       16.10113  282.3490       
19.68447  276.8462       27.98865  166.4527 5.815425 164.4093 8.399552 
2.043442       10.21624 
1 1 1 2   28 8  o 173.7885 5.168246 307.7605       18.26483  275.5373       
22.50704  369.9114       31.25774  164.3136 6.735864 190.2302 8.080286 
-25.91656      10.51964 
1 1 1 2   28 9  o 217.3876 4.137253 481.3072       18.28935  478.5916       
23.23967  485.7257       29.64392  216.6595 5.274737 218.0879 6.684250 
-1.428391      8.514813 
1 1 1 2   28 10 o 157.5297 5.491075 253.2011       17.59022  255.1168       
24.31921  251.0992       25.47357  157.8757 7.575000 156.3610 8.038619 
1.514740       11.04536 
1 1 1 2   28 11 o 235.1728 5.863046 564.9248       28.03895  519.0753       
31.70031  729.7243       60.09997  225.2244 6.921443 265.7048 11.12304 
-40.48041      13.10070 
1 1 1 2   28 12 o 140.5521 6.194244 202.0249       17.70423  242.5023       
25.16088  162.3314       24.91604  153.4716 8.090652 125.0640 9.877438 
28.40752       12.76802 
1 1 1 2   28 13 o 184.0836 5.539535 346.3604       20.73671  377.4955       
28.99710  313.7710       29.66662  191.7779 7.435404 174.6285 8.354136 
17.14937       11.18377 
1 1 1 2   28 14 o 246.1702 5.261155 619.4638       26.33710  635.8638       
36.42338  601.4932       38.12761  248.8293 7.198257 241.8183 7.753523 
7.011017       10.57979 
1 1 1 2   28 15 o 95.80866 9.736766 96.12476       18.70656  78.34106       
25.69663  116.1747       27.28488  84.49289 15.52783 104.2619 13.16227 
-19.76906      20.35581 
1 1 1 2   28 16 o 71.81272 14.41253 56.70895       20.31549  61.72281       
27.19404  50.37683       30.56061  73.71333 18.24076 66.62585 20.52837 
7.087479       27.46159 
1 1 1 2   28 17 o 143.7067 9.394622 216.1590       27.30303  222.6160       
30.87473  192.9949       58.47874  145.3258 10.51853 126.8034 23.54539 
18.52244       25.78808 
1 1 1 2   28 18 o 89.63439 12.32863 87.72923       21.87710  17.09073       
39.87685  118.1444       26.16647  52.18987 21.99747 104.0527 12.62485 
-51.86280      25.36287 
1 1 1 2   28 19 o 130.0614 7.725839 178.0676       20.34187  173.2147       
29.70124  182.3549       27.91709  125.5040 11.77534 129.6467 10.68420 
-4.142761      15.90002 
1 1 1 2   28 20 o 77.59966 13.33587 70.23038       20.28577  102.5993       
38.26934  57.58094       23.92336  85.28471 21.94032 67.09415 17.39081 
18.19056       27.99675 
1 1 1 2   29 0  o 305.0000 3.738258 946.3184       23.18571  966.2211       
33.14407  927.2449       32.44616  308.1137 5.289851 301.8355 5.286176 
6.278229       7.478381 
1 1 1 2   29 1  o 419.7644 4.330871 1792.805       36.96854  1838.763       
53.20326  1749.899       51.40588  424.9608 6.156557 414.5704 6.097657 
10.39041       8.665137 
1 1 1 2   29 2  o 338.9526 3.948099 1168.863       27.21313  1245.579       
39.84798  1101.813       37.25327  349.7913 5.602036 328.9883 5.568428 
20.80304       7.898746 
1 1 1 2   29 3  o 436.9514 4.075630 1942.646       36.21423  1980.352       
47.95005  1892.580       55.25197  441.0597 5.346140 431.0729 6.302976 
9.986786       8.264909 
1 1 1 2   29 4  o 401.8875 5.184872 1644.308       42.37346  1644.308       
42.37346  0.000000       0.000000  401.8875 5.184872 ?        ?        
0.000000       5.184872 
1 1 1 2   29 5  o 81.55197 6.933084 68.28668       11.38869  80.37459       
14.52278  48.98061       18.35360  88.37494 8.173656 67.85803 13.77111 
20.51691       16.01412 
1 1 1 2   29 6  o 430.7270 9.019076 1896.358       78.99791  0.000000       
0.000000  1896.358       78.99791  ?        ?        430.7270 9.019076 
0.000000       9.019076 
1 1 1 2   29 7  o 253.0240 4.218070 651.8510       21.70336  641.8553       
25.68377  676.8131       40.58745  251.0029 5.031861 257.3984 7.754154 
-6.395584      9.243730 
1 1 1 2   29 8  o 26.79978 11.83782 -3.811270      12.66291  -16.61968      
16.31218  15.61239       20.08769  26.00185 12.19792 44.22935 16.55759 
-18.22750      20.56558 
1 1 1 2   29 9  o 265.1367 4.997833 716.7402       26.94654  719.7570       
34.06199  711.6942       44.05313  265.4767 6.309460 263.5825 8.218808 
1.894196       10.36137 
1 1 1 2   29 10 o 227.9587 4.733664 529.8884       21.94345  511.8603       
30.05094  550.4811       32.11750  223.7429 6.604764 231.9899 6.808027 
-8.246948      9.485365 
1 1 1 2   29 11 o 159.3473 7.052061 260.0444       22.85136  247.9943       
25.70422  305.4696       49.90648  155.2115 8.172635 170.1547 14.56353 
-14.94315      16.69995 
1 1 1 2   29 12 o 47.30912 14.50766 23.67181       15.28391  26.73838       
20.57414  19.89556       22.83102  51.06807 16.96218 47.77523 17.69779 
3.292843       24.51382 
1 1 1 2   29 13 o 117.0786 7.493905 141.3832       17.74811  147.7351       
24.51897  134.3918       25.72357  118.9738 10.23404 113.0999 11.33717 
5.873962       15.27308 
1 1 1 2   29 14 o 226.6460 5.447718 525.5181       25.10811  546.9562       
35.05653  502.9385       35.97786  230.5993 7.475831 220.9389 8.007773 
9.660461       10.95502 
1 1 1 2   29 15 o 64.08533 14.09191 45.17015       17.86470  55.47191       
24.65613  33.78496       25.92026  70.20425 17.36653 56.44997 19.04196 
13.75429       25.77193 
1 1 1 2   29 16 f 186.7677 6.781717 358.8431       25.75686  391.8325       
33.87286  313.6205       39.65905  194.4925 8.564410 172.4594 11.37230 
22.03308       14.23652 
1 1 1 2   29 17 o 25.94547 12.76924 -46.15066      23.71274  -50.90130      
27.00002  -30.12699      49.58714  27.83527 13.68504 45.86130 21.43525 
-18.02604      25.43128 
1 1 1 2   29 18 o 97.67986 21.67916 119.4778       41.93818  119.4778       
41.93818  0.000000       0.000000  97.67986 21.67916 ?        ?        
0.000000       21.67916 
1 1 1 2   29 19 o 149.8257 10.31574 243.7828       31.23804  243.7828       
31.23804  0.000000       0.000000  149.8257 10.31574 ?        ?        
0.000000       10.31574 
1 1 1 2   30 0  o 191.7488 3.574501 374.0389       13.93797  390.4502       
19.87226  358.1488       19.55412  195.8611 4.989393 187.5791 5.126279 
8.281937       7.153515 
1 1 1 2   30 1  o 306.6792 3.787702 956.8807       23.62172  947.7777       
33.26430  966.1407       33.54985  305.1226 5.361084 308.0647 5.355466 
-2.942078      7.577746 
1 1 1 2   30 2  o 273.3391 5.251750 760.6285       29.19156  760.6285       
29.19156  0.000000       0.000000  273.3391 5.251750 ?        ?        
0.000000       5.251750 
1 1 1 2   30 3  o 964.3750 7.357872 9481.628       144.2944  9651.520       
189.8428  9249.209       222.0469  972.0570 9.603976 950.6469 11.48614 
21.41016       14.97223 
1 1 1 2   30 4  o 377.5204 5.062721 1451.194       38.86654  1451.194       
38.86654  0.000000       0.000000  377.5204 5.062721 ?        ?        
0.000000       5.062721 
1 1 1 2   30 5  o 163.9094 5.091810 273.6276       16.97178  302.0107       
23.19675  240.9318       24.89678  172.1003 6.628177 153.4086 8.008494 
18.69168       10.39561 
1 1 1 2   30 6  o 505.8444 5.898973 2608.607       60.67988  2602.761       
75.43989  2619.320       102.1273  504.9082 7.347459 505.6531 9.932025 
-0.7449036     12.35436 
1 1 1 2   30 7  o 177.9327 4.498915 322.5004       16.27852  322.4859       
19.87091  322.5299       28.38507  177.8486 5.494347 177.6070 7.859205 
0.2416077      9.589314 
1 1 1 2   30 8  o 231.1579 4.250389 544.3469       19.97969  551.6329       
23.81007  527.0067       36.73180  232.6096 5.033632 226.8992 7.960822 
5.710480       9.418713 
1 1 1 2   30 9  f 292.0468 5.010294 869.9164       29.75549  875.7992       
37.55352  859.9932       48.77401  292.7667 6.307796 289.5981 8.282117 
3.168640       10.41066 
1 1 1 2   30 10 f 173.0003 4.471654 305.1725       15.73137  313.2337       
19.69776  290.9762       26.13998  175.1391 5.530727 168.4736 7.629956 
6.665543       9.423650 
1 1 1 2   30 11 o 37.64100 15.15516 7.492705       17.81166  0.1389607      
19.60526  42.25623       42.62657  35.49350 15.20807 66.09081 24.23376 
-30.59731      28.61049 
1 1 1 2   30 12 o 183.3322 5.468337 343.5669       20.38663  342.6956       
27.74424  344.5895       30.05647  182.6803 7.468435 183.0319 8.075323 
-0.3515472     10.99947 
1 1 1 2   30 13 o 63.03928 13.01895 43.19882       16.13669  54.80687       
21.85350  29.28124       23.92892  70.43162 15.66318 53.43287 18.29455 
16.99874       24.08372 
1 1 1 2   30 14 o 144.8949 7.776369 216.9326       22.82925  221.5757       
36.40921  213.9245       29.30567  144.6457 12.50098 143.0895 10.13707 
1.556168       16.09455 
1 1 1 2   30 15 o 34.86791 14.59831 3.565024       17.37366  1.743901       
24.59551  5.378628       24.54469  39.70290 17.02343 41.15076 17.29668 
-1.447861      24.26875 
1 1 1 2   30 16 o 35.46786 14.86577 3.956987       18.04694  23.56475       
27.00505  -11.86659      24.25959  50.66189 19.14904 34.46034 15.69995 
16.20155       24.76235 
1 1 1 2   30 17 o 183.9787 6.455848 349.3096       24.15306  391.3163       
34.03858  306.7103       34.27785  193.5971 8.646118 170.4276 9.933656 
23.16949       13.16939 
1 1 1 2   30 18 o 45.10987 19.82709 4.841605       35.10960  4.841605       
35.10960  0.000000       0.000000  45.10987 19.82709 ?        ?        
0.000000       19.82709 
1 1 1 2   30 19 o 56.05406 15.13853 38.18308       17.66161  42.53909       
26.27175  34.59101       23.85707  57.19334 19.17123 52.62650 18.25410 
4.566849       26.47165 
1 1 1 2   31 0  o 129.2568 4.074178 170.0125       10.70890  177.1685       
14.87006  162.3023       15.43509  131.9035 5.543766 126.2316 6.012977 
5.671936       8.178583 
1 1 1 2   31 1  o 368.4739 4.078831 1381.660       30.56285  1313.544       
41.93482  1458.836       44.63637  359.1276 5.742150 378.4622 5.799826 
-19.33459      8.161511 
1 1 1 2   31 2  o 394.5767 4.243148 1584.553       34.04639  1633.536       
49.10972  1539.224       47.24228  400.4304 6.030995 388.7060 5.976655 
11.72446       8.490778 
1 1 1 2   31 3  o 308.9131 3.598793 971.0193       22.60708  957.0660       
29.73914  990.1208       34.79548  306.5964 4.769907 311.7779 5.488151 
-5.181519      7.271300 
1 1 1 2   31 4  o 221.5644 4.878679 499.9347       21.98131  499.9347       
21.98131  0.000000       0.000000  221.5644 4.878679 ?        ?        
0.000000       4.878679 
1 1 1 2   31 5  o 232.4752 4.085856 550.2145       19.31573  541.2062       
23.15783  570.8101       35.01591  230.4959 4.940639 236.4564 7.282206 
-5.960449      8.800024 
1 1 1 2   31 6  o 267.4392 7.565872 730.9659       41.14674  0.000000       
0.000000  730.9659       41.14674  ?        ?        267.4392 7.565872 
0.000000       7.565872 
1 1 1 2   31 7  o 342.9333 4.385177 1198.153       30.58076  1192.851       
36.08702  1211.660       57.59869  342.0366 5.188323 343.9911 8.234058 
-1.954498      9.732339 
1 1 1 2   31 8  o 113.7605 5.761080 132.4480       13.28399  126.4604       
16.19585  144.7569       23.22117  110.9437 7.218043 118.2538 9.743174 
-7.310127      12.12558 
1 1 1 2   31 9  o 121.7695 6.700499 152.1525       16.52809  155.2327       
21.21156  147.3919       26.37013  122.6506 8.558196 118.9183 11.03022 
3.732307       13.96096 
1 1 1 2   31 10 o 127.1566 5.570206 165.1928       14.40329  171.0346       
17.17456  151.3442       26.44336  129.1018 6.563482 120.4257 10.91672 
8.676117       12.73790 
1 1 1 2   31 11 o 135.3228 7.731717 188.7164       21.18813  194.4046       
23.56567  164.7172       48.40533  137.1665 8.490248 121.7286 20.26723 
15.43791       21.97373 
1 1 1 2   31 12 o 32.25068 13.47159 2.776051       14.74737  -11.97540      
20.50471  18.58334       21.22584  31.50533 14.38472 45.99578 17.05922 
-14.49046      22.31450 
1 1 1 2   31 13 o 29.12470 12.94215 -4.681564      15.35818  1.385104       
21.22731  -11.34574      22.24811  37.12183 15.86305 33.19822 15.09011 
3.923611       21.89401 
1 1 1 2   31 14 o 84.08823 11.83356 75.57626       19.67514  88.26110       
32.61978  68.32236       24.66744  88.15036 18.77252 78.38246 16.01681 
9.767899       24.67682 
1 1 1 2   31 15 o 78.01656 12.15133 65.59425       18.65029  86.55782       
26.63313  45.42268       26.12519  88.53880 15.34860 63.22617 18.87787 
25.31263       24.33009 
1 1 1 2   31 16 o 52.53787 15.77953 30.82689       18.21355  36.23491       
25.94583  25.57281       25.57390  57.04766 19.05229 50.89332 18.75407 
6.154335       26.73396 
1 1 1 2   31 17 o 59.78571 15.32917 41.22132       18.72483  28.90780       
26.63179  53.25970       26.33257  52.17351 19.15126 66.62112 18.68184 
-14.44761      26.75410 
1 1 1 2   31 18 o 36.14610 15.16110 6.525901       18.79342  -14.71089      
34.66350  15.36723       22.36592  39.11649 18.16130 42.49751 17.02755 
-3.381016      24.89519 
1 1 1 2   31 19 o 111.4767 12.57198 142.4839       28.00192  142.4839       
28.00192  0.000000       0.000000  111.4767 12.57198 ?        ?        
0.000000       12.57198 
1 1 1 2   32 0  o 422.3430 4.367840 1815.660       37.51315  1833.137       
53.46456  1798.713       52.64806  424.1322 6.198882 420.1365 6.162267 
3.995697       8.740690 
1 1 1 2   32 1  o 415.1246 4.340503 1754.181       36.64122  1788.278       
52.57002  1721.966       51.09834  418.8957 6.171360 411.0646 6.112871 
7.831024       8.686361 
1 1 1 2   32 2  o 423.1222 4.405889 1822.635       37.90974  1861.548       
54.48832  1786.127       52.77754  427.3397 6.270163 418.6051 6.200022 
8.734558       8.817892 
1 1 1 2   32 3  o 370.6897 3.811130 1398.594       28.72868  1447.949       
38.60808  1337.360       43.00337  377.0284 5.035618 362.2320 5.838002 
14.79636       7.709715 
1 1 1 2   32 4  o 282.1709 4.834406 811.0630       27.74002  811.0630       
27.74002  0.000000       0.000000  282.1709 4.834406 ?        ?        
0.000000       4.834406 
1 1 1 2   32 5  o 187.5587 4.199824 358.2548       16.01842  345.4753       
19.34306  386.1466       28.57641  184.1075 5.166571 194.4179 7.228032 
-10.31046      8.884701 
1 1 1 2   32 6  o 296.7669 4.921488 897.7394       29.70047  947.5220       
39.42614  832.4203       45.16116  304.6258 6.364528 285.2260 7.786182 
19.39975       10.05643 
1 1 1 2   32 7  o 185.3831 4.791346 350.3918       18.06255  361.4180       
23.06676  332.9137       29.04173  188.1269 6.029539 180.2725 7.922123 
7.854431       9.955671 
1 1 1 2   32 8  o 86.60533 6.932199 77.24401       12.10630  77.27576       
14.82895  77.18055       20.96358  86.33762 8.558930 85.39409 12.43748 
0.9435272      15.09789 
1 1 1 2   32 9  o 193.8317 5.259818 383.6322       20.73228  407.2864       
26.80270  348.3975       32.71217  199.4739 6.607559 184.0307 8.741133 
15.44327       10.95752 
1 1 1 2   32 10 o 29.97955 12.22791 3.793804       11.76785  0.4470655      
14.12191  11.39831       21.28718  30.43571 12.97051 42.19107 16.70704 
-11.75537      21.15087 
1 1 1 2   32 11 o 141.5094 5.890183 204.9488       16.94983  206.3391       
18.26621  196.3319       45.47302  141.9167 6.329413 134.4253 17.01597 
7.491409       18.15502 
1 1 1 2   32 12 o 106.0033 7.782027 116.3220       16.65780  115.6150       
23.24832  117.0680       23.87974  104.7332 11.08425 105.3148 11.32852 
-0.5815735     15.84917 
1 1 1 2   32 13 f 101.9066 8.383793 108.0254       17.21968  87.53653       
23.26488  132.8492       25.60800  90.17165 13.06847 112.0800 11.39403 
-21.90837      17.33807 
1 1 1 2   32 14 o 165.0197 7.127793 280.4500       23.91896  290.9875       
39.24590  274.2228       30.16970  165.9416 11.70526 162.2568 9.181243 
3.684784       14.87644 
1 1 1 2   32 15 o 90.81860 10.67817 87.64734       19.34421  63.99481       
26.12807  116.3390       28.77706  74.80958 17.48849 103.3110 14.06316 
-28.50143      22.44148 
1 1 1 2   32 16 o 37.63422 15.24178 8.575522       18.13074  10.01101       
26.24965  7.265913       25.07232  43.43990 18.04458 41.58831 17.48115 
1.851589       25.12365 
1 1 1 2   32 17 o 43.69777 15.61967 19.89134       17.56456  42.39845       
26.23897  1.616846       23.64337  59.27689 19.12468 37.76653 16.44263 
21.51036       25.22129 
1 1 1 2   32 18 o 40.00149 15.75087 14.53220       18.82119  11.84219       
34.60862  15.66186       22.42765  45.69072 19.89301 42.19599 17.00000 
3.494732       26.16738 
1 1 1 2   32 19 o 44.43340 15.28855 23.91251       16.71885  34.90529       
24.28715  14.01160       23.04943  51.43107 18.36892 40.48018 16.86980 
10.95089       24.94008 
1 1 1 2   33 0  o 64.86069 6.644945 43.35310       8.640724  43.35339       
11.65367  43.35274       12.87743  64.47906 9.143931 64.29104 10.18960 
0.1880264      13.69085 
1 1 1 2   33 1  o 195.4653 3.664237 388.8552       14.56480  404.3193       
20.83887  374.0867       20.36479  199.2190 5.143895 191.6201 5.226217 
7.598907       7.333007 
1 1 1 2   33 2  o 75.78730 5.997858 58.92794       9.168142  59.32010       
13.13005  58.55482       12.80739  75.67061 8.690410 75.20009 8.525784 
0.4705200      12.17424 
1 1 1 2   33 3  o 165.4051 5.129149 278.7995       17.25224  278.7995       
17.25224  0.000000       0.000000  165.4051 5.129149 ?        ?        
0.000000       5.129149 
1 1 1 2   33 4  o 403.1245 5.232538 1656.630       42.89463  1656.630       
42.89463  0.000000       0.000000  403.1245 5.232538 ?        ?        
0.000000       5.232538 
1 1 1 2   33 5  o 148.7515 4.596908 225.4878       13.90524  219.5635       
17.17649  236.7541       23.68666  146.6904 5.758125 151.9235 7.692101 
-5.233093      9.608560 
1 1 1 2   33 6  f 125.5984 5.185388 160.9149       13.24393  171.9362       
16.92693  143.5176       21.26672  129.7170 6.416964 117.9119 8.935753 
11.80515       11.00114 
1 1 1 2   33 7  f 37.35200 12.51931 13.68380       11.20339  20.70178       
15.11849  5.136038       16.68509  44.99347 14.51699 35.50432 14.52975 
9.489155       20.53915 
1 1 1 2   33 8  o 58.65215 9.985820 36.45550       11.48344  43.62355       
14.36299  23.75503       19.11852  63.94547 11.46672 48.61980 16.35404 
15.32567       19.97350 
1 1 1 2   33 9  o 181.6109 4.586866 336.5524       16.93985  350.2273       
20.39744  306.1557       30.41072  185.1337 5.417996 172.2068 8.712440 
12.92696       10.25969 
1 1 1 2   33 10 o 317.1014 4.419958 1026.135       28.50150  1001.093       
32.83443  1102.681       57.40488  313.0014 5.158598 327.0419 8.631653 
-14.04050      10.05567 
1 1 1 2   33 11 o 98.39086 8.431102 100.5873       16.70610  100.5873       
16.70610  0.000000       0.000000  98.39086 8.431102 ?        ?        
0.000000       8.431102 
1 1 1 2   33 12 o 31.75636 13.50651 1.147813       15.25810  -0.1044801E-01 
21.01309  2.439629       22.19152  36.28808 15.64934 38.25153 16.27932 
-1.963448      22.58137 
1 1 1 2   33 13 o 124.8222 7.484246 161.2184       18.90959  140.5069       
25.44427  186.7701       28.26145  115.3298 10.98180 133.2980 10.51134 
-17.96818      15.20159 
1 1 1 2   33 14 o 108.1186 9.762908 122.8602       21.23345  159.9618       
36.15620  103.3280       26.23386  121.0047 15.01638 97.58582 13.58852 
23.41885       20.25191 
1 1 1 2   33 15 o 33.13396 14.49081 -1.771621      18.54830  3.231401       
24.62510  -8.332310      28.19918  39.86979 17.06265 38.33703 17.24869 
1.532761       24.26214 
1 1 1 2   33 16 o 77.85117 12.36348 66.64710       18.91869  85.51492       
27.35981  49.35992       26.18873  86.29817 16.18507 64.25778 18.82847 
22.04039       24.82877 
1 1 1 2   33 17 o 125.2638 11.85865 172.5492       29.84773  172.5492       
29.84773  0.000000       0.000000  125.2638 11.85865 ?        ?        
0.000000       11.85865 
1 1 1 2   33 18 o 33.05565 14.49184 1.325037       18.65136  26.55824       
34.49352  -9.100968      22.17228  49.79878 20.68537 31.90868 14.71215 
17.89010       25.38370 
1 1 1 2   34 0  o 135.1652 4.024322 186.0152       11.06137  175.9481       
15.07975  197.7413       16.27480  131.3694 5.644798 139.2609 5.746918 
-7.891495      8.055483 
1 1 1 2   34 1  o 250.8270 3.670782 640.4517       18.72338  664.4456       
26.94194  618.0393       26.03887  255.3310 5.188883 246.2520 5.199852 
9.079041       7.345949 
1 1 1 2   34 2  o 186.6415 3.782181 354.6662       14.35496  343.9540       
20.28334  365.4156       20.31866  183.6707 5.430603 189.3288 5.277484 
-5.658051      7.572535 
1 1 1 2   34 3  o 88.53736 6.405511 80.44838       11.45485  76.06580       
13.01976  95.46257       24.09844  85.92281 7.527397 95.30849 12.75364 
-9.385674      14.80936 
1 1 1 2   34 4  o 101.0805 5.529582 104.5494       11.32301  117.4184       
14.29299  82.86230       18.55462  107.0013 6.600981 89.14903 10.43218 
17.85227       12.34517 
1 1 1 2   34 5  o 249.0492 4.076812 631.9550       20.64702  622.1519       
24.60782  655.2698       37.94952  246.9972 4.899251 253.0109 7.375912 
-6.013657      8.854758 
1 1 1 2   34 6  o 147.3470 4.644203 221.4109       13.91567  232.6197       
17.35104  201.2034       23.29708  150.9225 5.653535 139.7815 8.232312 
11.14095       9.986663 
1 1 1 2   34 7  o 169.3940 4.933664 292.8493       16.99492  303.2043       
21.76165  276.6603       27.20996  172.1740 6.215454 164.1152 8.153193 
8.058807       10.25214 
1 1 1 2   34 8  o 187.7123 5.145690 359.8853       19.64210  375.5570       
25.97164  338.9431       30.02294  191.4632 6.670566 181.5587 8.131763 
9.904480       10.51770 
1 1 1 2   34 9  o 70.41733 8.548029 51.82239       11.98949  51.58505       
14.74158  52.28616       20.60658  69.72193 10.74234 69.01620 15.10221 
0.7057266      18.53307 
1 1 1 2   34 10 o 125.8669 5.762781 162.1853       14.75010  191.6230       
17.70411  95.38007       26.67028  136.7108 6.368248 93.91418 14.42655 
42.79658       15.76958 
1 1 1 2   34 11 o 67.14172 11.94842 48.61381       15.71585  48.61381       
15.71585  0.000000       0.000000  67.14172 11.94842 ?        ?        
0.000000       11.94842 
1 1 1 2   34 12 o 126.1493 6.796229 164.1528       17.36997  142.6436       
22.86326  193.5160       26.71335  116.6816 9.724280 136.0190 9.721857 
-19.33734      13.75050 
1 1 1 2   34 13 o 114.5990 7.848205 136.3739       18.17940  116.4215       
24.52670  160.7000       27.08190  104.4769 11.74803 123.2970 10.91405 
-18.82002      16.03536 
1 1 1 2   34 14 o 33.55387 14.31822 1.532833       17.25028  -4.178579      
24.55234  7.100678       24.24179  37.14202 16.44094 41.32039 17.26711 
-4.178368      23.84235 
1 1 1 2   34 15 o 145.6118 7.864569 220.9082       23.20115  209.5976       
30.04521  237.6153       36.51597  140.4541 10.59740 148.5835 12.19287 
-8.129440      16.15459 
1 1 1 2   34 16 o 104.4461 9.160522 115.9010       19.25993  96.44869       
27.29603  135.1877       27.17964  91.90559 15.13191 111.0727 12.23632 
-19.16708      19.46027 
1 1 1 2   34 17 o 66.16772 13.27440 50.58760       17.24003  76.80027       
27.03232  32.61668       22.38272  78.91208 17.32076 51.89777 17.69398 
27.01431       24.76057 
1 1 1 2   34 18 o 53.00163 16.11226 35.86599       18.90592  -5.663750      
34.29722  53.99367       22.65951  39.25351 18.16832 64.36164 17.04357 
-25.10813      24.91127 
1 1 1 2   35 0  o 258.1563 3.662209 678.5505       19.22548  661.9834       
26.78416  696.1584       27.61265  254.8123 5.168997 261.3031 5.196514 
-6.490814      7.329549 
1 1 1 2   35 1  o 107.2023 4.519322 117.1030       9.852101  121.6221       
14.09881  112.7905       13.77286  108.9487 6.391671 104.8917 6.488880 
4.056999       9.108185 
1 1 1 2   35 2  o 141.7849 4.057972 204.7769       11.70013  215.3237       
16.82009  194.8895       16.28580  145.2610 5.694137 138.1876 5.795470 
7.073349       8.124695 
1 1 1 2   35 3  o 251.8229 4.060260 646.0577       20.79220  631.5449       
24.03025  689.2869       41.47338  248.8880 4.747914 259.4075 7.862044 
-10.51950      9.184467 
1 1 1 2   35 4  o 198.0612 4.074813 399.7238       16.41189  399.8915       
19.88089  399.3651       29.07917  198.0026 4.937573 197.5125 7.239958 
0.4901123      8.763369 
1 1 1 2   35 5  o 72.98811 7.393807 55.13546       10.82274  56.07906       
13.88403  53.67415       17.27797  73.19460 9.555977 70.90215 12.43699 
2.292450       15.68424 
1 1 1 2   35 6  o 194.7187 4.213638 386.5898       16.68462  378.8973       
20.00187  404.1859       30.25135  192.6459 5.105749 198.5026 7.494234 
-5.856735      9.068197 
1 1 1 2   35 7  o 103.6007 5.981008 110.1659       12.54693  110.2531       
15.61451  110.0070       21.07853  103.3703 7.478661 102.6065 10.23888 
0.7637253      12.67932 
1 1 1 2   35 8  o 130.3847 5.971090 174.0162       15.83185  184.5038       
21.41663  161.3799       23.50852  133.6931 7.912763 124.6271 9.344033 
9.066071       12.24430 
1 1 1 2   35 9  o 99.20956 6.548887 101.3899       13.13780  106.3737       
16.09661  91.44521       22.73795  101.3429 7.872480 92.64133 12.37931 
8.701546       14.67049 
1 1 1 2   35 10 o 261.2899 4.406659 697.2447       23.41442  718.2042       
27.69656  644.7429       43.83509  264.9776 5.140025 249.7032 8.632696 
15.27446       10.04705 
1 1 1 2   35 11 o 66.54182 10.32647 47.22329       13.52037  57.85445       
15.67482  16.32661       26.72194  73.65255 10.78514 47.25902 18.71713 
26.39353       21.60209 
1 1 1 2   35 12 o 138.0098 6.744282 196.0783       18.92767  204.9266       
24.11378  181.8770       30.54909  140.3445 8.489205 130.8952 11.59692 
9.449249       14.37202 
1 1 1 2   35 13 o 81.86092 10.56722 71.40061       17.18024  81.03674       
24.43909  61.98610       24.15643  85.68104 14.54668 73.92702 16.48822 
11.75402       21.98789 
1 1 1 2   35 14 f 78.29533 11.84503 66.45280       18.26990  58.73474       
26.46088  73.48415       25.25627  70.89767 18.24660 80.54554 15.98382 
-9.647873      24.25739 
1 1 1 2   35 15 o 110.9510 9.699801 130.7712       21.66499  123.6470       
28.11521  141.1853       33.99259  105.8899 13.35370 111.9184 15.33952 
-6.028427      20.33771 
1 1 1 2   35 16 f 31.08264 13.59817 -0.5462762     16.34549  23.55613       
24.91299  -18.76377      21.65909  47.89093 18.32250 29.45281 13.89102 
18.43813       22.99293 
1 1 1 2   35 17 o 25.31932 11.90887 -12.94919      15.72179  -11.06047      
23.87022  -14.39626      20.89380  32.60750 15.11506 29.45002 13.81217 
3.157484       20.47538 
1 1 1 2   35 18 o 45.62443 16.07341 26.25118       18.53533  37.70259       
34.24121  21.50488       22.04438  51.76795 20.95300 43.23727 17.03951 
8.530674       27.00691 
1 1 1 2   36 0  o 174.3478 3.698772 309.5837       13.11371  315.6042       
18.73264  303.7979       18.36403  175.8879 5.237350 172.5671 5.233093 
3.320755       7.403722 
1 1 1 2   36 1  o 362.1653 4.082910 1336.424       30.06963  1399.981       
44.04160  1280.926       41.15479  370.2700 5.849155 354.2109 5.713562 
16.05905       8.176638 
1 1 1 2   36 2  o 81.38672 5.574593 67.93735       9.170517  62.06644       
12.95982  73.82505       12.97834  77.33384 8.374760 84.55045 7.630572 
-7.216606      11.32971 
1 1 1 2   36 3  o 169.9947 4.318995 294.5956       14.93033  316.3391       
17.70206  241.0073       27.79032  176.0853 4.943667 152.8419 8.980741 
23.24342       10.25151 
1 1 1 2   36 4  o 195.2449 4.681503 388.8806       18.58730  360.5762       
24.04008  430.9513       29.30886  187.7548 6.296417 205.1113 7.026804 
-17.35649      9.435086 
1 1 1 2   36 5  o 103.0602 6.679188 109.2298       13.92265  104.1788       
20.00590  113.9735       19.38784  99.93897 9.977356 104.7663 9.193250 
-4.827286      13.56700 
1 1 1 2   36 6  o 67.62165 8.401701 47.77182       11.30425  57.61193       
14.70638  33.56221       17.67245  73.97523 10.03519 55.41923 15.21705 
18.55600       18.22810 
1 1 1 2   36 7  o 58.80097 9.654529 36.67120       11.14351  47.40163       
14.00979  18.18925       18.38640  66.77134 10.67764 44.32188 15.96624 
22.44946       19.20763 
1 1 1 2   36 8  o 67.29334 10.07805 47.98652       13.36674  46.11435       
18.06908  50.24936       19.86516  64.85091 14.10325 67.54503 14.86569 
-2.694122      20.49123 
1 1 1 2   36 9  o 122.5637 5.606655 153.8368       13.97388  144.7124       
16.79272  174.3809       25.19785  118.4368 7.003547 129.2499 9.656735 
-10.81316      11.92905 
1 1 1 2   36 10 o 120.3397 5.913568 148.5439       14.47138  149.2009       
17.53316  147.1398       25.63166  120.1436 7.209774 118.1264 10.78945 
2.017113       12.97663 
1 1 1 2   36 11 o 116.1962 6.346597 139.2049       14.93956  142.8185       
17.66022  130.1116       28.01488  117.3997 7.435782 110.0430 12.75571 
7.356674       14.76479 
1 1 1 2   36 12 o 98.51411 8.976892 101.8040       17.78617  71.72153       
22.45973  152.3992       29.12743  80.61357 14.22055 119.2963 12.17743 
-38.68277      18.72202 
1 1 1 2   36 13 o 87.33758 9.295204 80.51791       16.25494  79.11124       
19.56777  83.64978       29.19765  85.74294 11.51346 85.43764 17.39654 
0.3053055      20.86143 
1 1 1 2   36 14 o 83.93493 10.83749 75.80235       18.06587  75.84129       
26.25362  75.76733       24.89824  81.24506 16.45474 81.68346 15.55751 
-0.4384079     22.64497 
1 1 1 2   36 15 o 38.36984 15.55916 9.914642       18.91912  3.669378       
25.02582  18.24448       28.90223  39.44287 17.04391 47.34810 19.22011 
-7.905228      25.68867 
1 1 1 2   36 16 o 31.34417 13.60481 1.045749       16.08830  17.33159       
24.52805  -11.25129      21.31366  44.06381 17.76919 31.03116 14.34845 
13.03265       22.83904 
1 1 1 2   36 17 o 27.34775 12.53779 -6.569459      15.79186  -22.43431      
23.70369  6.091819       21.17565  29.23063 13.99613 36.27882 15.67739 
-7.048185      21.01600 
1 1 1 2   37 0  f 69.87737 6.062261 50.27828       8.528990  55.19494       
12.15362  45.50743       11.97205  72.85228 8.354777 65.89262 9.184420 
6.959663       12.41595 
1 1 1 2   37 1  f 220.4938 3.640873 495.2917       16.32500  520.6967       
23.56018  471.8298       22.64131  225.8614 5.129620 214.9939 5.178740 
10.86749       7.289194 
1 1 1 2   37 2  o 116.8760 4.464683 139.3156       10.61127  143.5555       
15.24328  135.3291       14.78062  118.2877 6.360410 114.8399 6.353895 
3.447792       8.990373 
1 1 1 2   37 3  o 195.2169 4.186699 388.5894       16.62037  376.1284       
19.11771  427.1571       33.63347  191.9610 4.897466 203.8798 8.112339 
-11.91879      9.476033 
1 1 1 2   37 4  o 52.14348 9.172627 28.83956       9.371128  28.37629       
12.03648  29.55258       14.93242  51.22795 11.79775 52.12875 13.85072 
-0.9008064     18.19421 
1 1 1 2   37 5  o 170.1299 5.169214 295.7586       17.88366  308.9455       
25.04085  282.0305       25.54946  173.5016 7.097315 165.6627 7.584126 
7.838959       10.38705 
1 1 1 2   37 6  o 33.04338 12.08855 9.398424       10.59823  14.25231       
13.68652  2.128923       16.74945  38.99974 13.80414 33.74857 14.24228 
5.251175       19.83423 
1 1 1 2   37 7  o 97.03593 6.094283 96.87285       11.96453  92.99583       
14.73242  104.3835       20.50523  94.73030 7.714761 99.71152 10.25910 
-4.981216      12.83615 
1 1 1 2   37 8  o 204.6250 5.107451 428.3190       21.25272  416.8564       
27.43612  445.5162       33.60537  201.4314 6.697983 207.8014 7.952595 
-6.369965      10.39744 
1 1 1 2   37 9  o 101.5882 6.418116 106.4393       13.19058  113.2570       
16.06081  92.31049       23.12063  104.5095 7.609448 92.69113 12.59215 
11.81838       14.71278 
1 1 1 2   37 10 o 139.7993 5.502792 200.3921       15.64371  192.3720       
18.63388  219.5415       28.79316  136.6967 6.703380 144.6939 9.844130 
-7.997192      11.90975 
1 1 1 2   37 11 o 27.31374 11.94475 -1.839874      12.60147  -2.043911      
15.41819  -1.429344      21.87013  30.15969 13.20028 36.08567 15.75956 
-5.925985      20.55751 
1 1 1 2   37 12 o 123.2573 7.579561 157.8683       18.90592  160.0683       
23.88374  154.1764       30.93935  123.3253 9.599170 119.3918 12.95107 
3.933525       16.12062 
1 1 1 2   37 13 o 115.6404 7.852690 139.5356       18.35684  152.3348       
23.64218  120.1059       29.12926  120.0304 9.770811 104.3392 14.08902 
15.69115       17.14553 
1 1 1 2   37 14 o 104.5044 7.383601 114.1200       15.59015  109.3934       
20.14478  121.1783       24.61725  101.2245 9.913706 105.6578 11.65116 
-4.433273      15.29807 
1 1 1 2   37 15 o 41.96860 15.28078 18.20531       16.90573  43.34035       
25.56015  -1.341198      22.54023  59.16548 18.85339 35.55167 15.74413 
23.61381       24.56274 
1 1 1 2   37 16 f 28.74911 12.93942 -3.833430      15.88545  -24.06922      
24.47948  10.88690       20.87858  29.77045 14.24635 38.76154 16.09640 
-8.991089      21.49541 
1 1 1 2   37 17 o 88.05515 9.628302 86.41808       16.95979  81.26612       
25.79560  90.34071       22.50854  79.03105 16.57982 86.97430 13.13568 
-7.943253      21.15269 
1 1 1 2   38 0  o 235.6669 5.180264 567.2362       24.82572  0.000000       
0.000000  567.2362       24.82572  ?        ?        235.6669 5.180264 
0.000000       5.180264 
1 1 1 2   38 1  o 29.16109 10.31520 7.708838       7.641239  4.191828       
10.68858  11.38524       10.92809  29.12882 11.73576 35.05363 12.34265 
-5.924814      17.03142 
1 1 1 2   38 2  o 95.36175 6.091708 93.44347       11.75144  106.0882       
13.87680  61.38503       22.09559  101.5155 6.760776 75.00645 15.01017 
26.50904       16.46248 
1 1 1 2   38 3  o 41.31876 12.35637 18.09365       11.18616  18.09365       
11.18616  0.000000       0.000000  41.31876 12.35637 ?        ?        
0.000000       12.35637 
1 1 1 2   38 4  o 94.38005 5.645245 91.45853       10.78493  84.45411       
13.39316  104.3778       18.18934  90.36790 7.351888 100.1301 9.030240 
-9.762169      11.64455 
1 1 1 2   38 5  o 142.6188 5.603027 208.1717       16.24990  215.8168       
23.19625  200.8042       22.77131  144.5349 7.922304 139.3608 8.069721 
5.174103       11.30855 
1 1 1 2   38 6  o 155.6986 4.906044 247.8084       15.53343  241.1757       
19.67284  258.7901       25.31369  153.3333 6.309268 158.4507 7.856153 
-5.117371      10.07601 
1 1 1 2   38 7  o 56.96663 9.710206 34.61619       10.84528  29.18741       
13.54090  44.32978       18.11283  51.57428 12.93419 63.31609 14.39364 
-11.74180      19.35123 
1 1 1 2   38 8  o 108.1376 6.087246 120.4091       13.33149  111.1163       
16.35557  138.8061       23.01254  103.4371 7.833797 114.9812 9.939815 
-11.54410      12.65576 
1 1 1 2   38 9  o 136.4205 5.396663 190.7847       14.97119  175.8816       
17.94445  224.9159       27.15616  130.5056 6.785001 146.7399 9.146075 
-16.23424      11.38802 
1 1 1 2   38 10 o 95.72951 7.175886 95.15024       13.86760  105.4808       
17.10517  75.33829       23.68807  100.4283 8.454314 82.39594 14.67549 
18.03238       16.93651 
1 1 1 2   38 11 o 90.52860 7.926784 85.64429       14.44562  76.56949       
17.42187  105.6103       25.84177  84.75955 10.32083 98.40687 13.25035 
-13.64732      16.79557 
1 1 1 2   38 12 o 144.8995 6.794260 216.9290       20.01983  224.3520       
26.35132  206.7958       30.78831  146.2807 8.900902 139.3405 10.95399 
6.940201       14.11439 
1 1 1 2   38 13 o 131.7836 7.368555 180.9267       19.66762  166.1051       
24.99974  204.9986       31.85975  125.0423 9.912900 138.0270 11.45430 
-12.98471      15.14816 
1 1 1 2   38 14 o 164.2908 5.965110 279.1855       19.92889  261.5378       
24.03424  318.0201       35.65285  158.2520 7.468436 172.2767 10.22265 
-14.02466      12.66018 
1 1 1 2   38 15 o 76.30150 11.18373 64.79034       16.83777  87.82928       
26.61788  49.42149       21.74018  85.65771 15.86541 63.29036 16.66291 
22.36734       23.00791 
1 1 1 2   38 16 o 87.77013 9.444201 84.85612       16.59104  95.01618       
24.80777  76.63451       22.31609  88.94550 14.19257 79.64023 14.30532 
9.305267       20.15121 
1 1 1 2   38 17 o 79.37473 10.62572 72.56477       16.72073  79.92514       
24.54158  66.18797       22.84305  77.95316 16.01731 70.41727 16.27805 
7.535896       22.83701 
1 1 1 2   39 0  o 62.64328 6.632993 40.67682       8.321050  36.78889       
11.32904  45.23123       12.26170  58.86203 9.809967 65.48960 9.483191 
-6.627567      13.64428 
1 1 1 2   39 1  o 229.9554 3.710534 539.1203       17.35128  540.0784       
24.45091  538.1483       24.62686  229.8528 5.231110 229.4305 5.278451 
0.4222565      7.431458 
1 1 1 2   39 2  o 78.80359 6.931769 64.23532       10.99514  68.39551       
12.93947  53.42802       20.85540  81.12406 7.945598 69.64806 15.15577 
11.47601       17.11227 
1 1 1 2   39 3  o 56.60433 7.988080 33.64067       8.939248  23.05718       
11.61471  49.02000       14.00111  46.07676 12.20256 67.91343 10.47495 
-21.83667      16.08189 
1 1 1 2   39 4  o 122.3874 4.836048 153.0900       12.03590  154.8481       
14.96378  149.8683       20.25648  122.9190 5.986472 120.2062 8.338335 
2.712814       10.26478 
1 1 1 2   39 5  o 114.9716 8.712267 137.5298       20.21781  0.000000       
0.000000  137.5298       20.21781  ?        ?        114.9716 8.712267 
0.000000       8.712267 
1 1 1 2   39 6  o 164.7931 4.519857 277.5274       15.14660  274.5726       
18.56416  283.4116       26.19680  163.6969 5.576777 165.7107 7.774031 
-2.013733      9.567445 
1 1 1 2   39 7  o 82.04099 8.214585 70.32507       13.52050  63.17935       
18.38242  78.74664       19.95612  76.47382 12.23288 85.72800 11.75694 
-9.254189      16.96671 
1 1 1 2   39 8  o 136.4071 5.183589 190.6608       14.37867  190.8021       
17.58426  190.3756       24.97848  136.1948 6.349096 134.9169 9.158575 
1.277908       11.14408 
1 1 1 2   39 9  o 85.37593 7.559925 75.99465       12.98944  79.72109       
15.88676  68.47949       22.56096  86.98466 9.116841 78.40980 14.68911 
8.574860       17.28834 
1 1 1 2   39 10 f 69.65292 9.601415 51.70552       13.23811  57.19908       
16.60827  42.13439       21.92195  72.58950 11.64489 60.49851 17.07405 
12.09099       20.66704 
1 1 1 2   39 11 o 37.49890 13.67064 13.10048       13.53686  -2.916792      
16.46680  46.48862       23.77448  30.62918 13.51581 63.11167 17.77010 
-32.48248      22.32607 
1 1 1 2   39 12 o 97.97890 9.088443 101.5143       17.90198  104.7785       
24.44680  97.73991       26.28776  97.90059 12.56997 93.60156 14.26153 
4.299026       19.01040 
1 1 1 2   39 13 o 38.28802 14.53919 13.08417       15.61349  20.55132       
20.75487  3.348827       23.69836  45.28672 16.85449 38.50587 16.61245 
6.780846       23.66532 
1 1 1 2   39 14 o 44.26355 16.20577 20.87529       19.05216  44.68179       
26.03369  -6.577911      27.95660  59.62263 19.03022 37.26523 16.92983 
22.35740       25.47093 
1 1 1 2   39 15 o 71.89390 11.20014 58.33051       15.84110  55.03663       
18.34772  67.97560       31.39652  68.18213 13.70834 69.81973 20.66052 
-1.637596      24.79467 
1 1 1 2   39 16 o 48.15627 14.78349 29.53483       15.86570  55.38741       
23.29587  7.170105       21.66750  63.64425 17.46937 36.27870 15.76761 
27.36555       23.53287 
1 1 1 2   40 0  o 83.70802 6.419999 72.30317       10.84505  77.31010       
12.79396  59.52070       20.44213  86.38255 7.353255 73.80350 14.13536 
12.57905       15.93357 
1 1 1 2   40 1  o 179.6997 4.498445 329.8268       16.43847  325.8184       
19.56320  339.4552       30.32028  178.4283 5.391688 181.3461 8.221927 
-2.917755      9.832109 
1 1 1 2   40 2  o 29.57407 11.49609 5.971868       9.920938  5.155567       
11.39274  8.533096       20.18027  30.39328 12.16155 39.61811 16.06797 
-9.224833      20.15150 
1 1 1 2   40 3  o 157.9144 4.218479 254.6285       13.54656  245.5437       
16.70676  272.0662       23.14609  154.8814 5.304465 162.6301 6.998829 
-7.748672      8.781854 
1 1 1 2   40 4  o 129.1327 4.695407 170.4808       12.32994  180.1373       
15.40875  153.2909       20.55861  132.5650 5.715934 121.4541 8.375146 
11.11087       10.13977 
1 1 1 2   40 5  o 85.85441 8.169271 76.90884       14.09060  55.40144       
22.66496  90.45831       17.98963  70.16907 16.21022 92.72066 9.683895 
-22.55159      18.88251 
1 1 1 2   40 6  o 34.04711 11.79039 11.23520       9.951020  14.40115       
12.90284  6.588003       15.63250  38.42052 13.41884 34.92142 14.14940 
3.499100       19.50053 
1 1 1 2   40 7  o 71.58604 9.267703 54.25714       13.17454  46.90710       
18.00607  62.72538       19.32725  64.91759 14.04759 75.72962 13.01960 
-10.81203      19.15319 
1 1 1 2   40 8  o 104.3475 6.232010 112.4803       13.16355  113.5775       
16.14756  110.3067       22.72813  104.4429 7.656202 101.5888 11.18732 
2.854111       13.55631 
1 1 1 2   40 9  o 79.34233 8.089017 66.07853       12.86871  72.04770       
16.09028  55.48276       21.43745  82.30243 9.807009 69.85838 15.49608 
12.44405       18.33864 
1 1 1 2   40 10 o 76.03341 8.980728 61.26310       13.61759  63.94441       
16.57750  55.69977       23.87879  76.99805 10.89124 69.17223 17.07812 
7.825813       20.25540 
1 1 1 2   40 11 o 24.97900 11.47083 -8.335793      13.29375  -3.033518      
16.88218  -16.98928      21.56717  30.86350 13.64884 30.26957 14.14397 
0.5939331      19.65560 
1 1 1 2   40 12 o 126.9944 7.807641 168.9555       20.06532  146.4818       
26.08033  201.5542       31.41055  116.4404 11.15069 136.5384 11.41757 
-20.09797      15.95929 
1 1 1 2   40 13 o 89.42435 9.097911 85.60279       16.31390  82.66948       
20.03484  91.37489       28.10431  86.49965 11.68931 87.92032 16.32011 
-1.420670      20.07451 
1 1 1 2   40 14 o 174.9154 7.124502 321.5319       25.34159  268.4737       
31.97088  411.2136       41.56524  157.0597 10.06304 193.8210 10.58582 
-36.76134      14.60562 
1 1 1 2   40 15 o 32.32299 13.37943 6.979901       14.35846  2.045456       
16.29247  24.14124       30.38389  31.17602 13.60919 46.61065 19.39197 
-15.43463      23.69090 
1 1 1 2   40 16 o 18.19913 9.000432 -24.09433      12.27878  -16.77112      
15.55201  -36.21455      20.00741  23.31633 11.20954 23.02347 11.40454 
0.2928581      15.99117 
1 1 1 2   41 0  o 75.04430 7.037655 58.45688       10.61437  62.87540       
12.26996  45.31745       21.15890  77.65808 7.878794 63.50764 16.30132 
14.15044       18.10548 
1 1 1 2   41 1  o 63.22813 8.035944 41.93975       10.09894  42.72585       
11.58950  39.45978       20.58504  63.52120 9.243203 59.32267 16.47623 
4.198528       18.89187 
1 1 1 2   41 2  o 25.72599 10.84733 1.095816       9.702548  6.095326       
11.24422  -13.47862      19.19824  30.85931 12.16693 29.57484 13.65492 
1.284472       18.28910 
1 1 1 2   41 3  o 76.60307 6.348225 60.70926       9.799829  61.43875       
12.61768  59.60019       15.55770  76.62497 8.226372 74.79449 10.51953 
1.830482       13.35416 
1 1 1 2   41 4  o 61.65003 7.975321 39.94863       9.764079  27.83785       
12.38065  59.87511       15.88082  50.31927 12.22087 74.85226 10.74098 
-24.53299      16.27017 
1 1 1 2   41 5  o 104.4742 7.008339 113.0710       14.80308  109.4024       
23.42172  115.5112       19.10201  101.1607 11.59496 104.9675 9.037060 
-3.806824      14.70073 
1 1 1 2   41 6  o 103.3694 5.790631 110.1200       12.12323  111.9381       
15.52342  107.2774       19.41033  103.7856 7.403844 100.8606 9.578622 
2.924995       12.10648 
1 1 1 2   41 7  o 119.3534 6.347665 147.1969       15.35098  127.5584       
20.81547  170.6135       22.72976  110.0237 9.393562 127.6040 8.813514 
-17.58031      12.88088 
1 1 1 2   41 8  o 30.69511 12.16434 6.110305       11.29305  27.71320       
14.43439  -27.97937      18.13233  49.73088 13.79143 24.33268 11.79700 
25.39821       18.14863 
1 1 1 2   41 9  o 22.76246 10.56834 -9.289911      11.73802  -10.05738      
14.71241  -7.945852      19.46987  25.91427 11.96090 31.33310 14.19286 
-5.418829      18.56072 
1 1 1 2   41 10 o 96.29018 7.480581 96.90813       14.53270  92.80965       
17.45669  106.1622       26.23117  93.53123 9.301501 97.96419 13.52835 
-4.432961      16.41750 
1 1 1 2   41 11 o 53.18242 13.14364 32.04631       14.13294  18.25185       
17.45352  58.31604       24.08565  42.67937 15.52839 70.17896 17.04634 
-27.49959      23.05880 
1 1 1 2   41 12 o 64.67575 13.40853 47.73673       17.05603  30.08087       
22.26196  72.82989       26.53974  51.11391 17.63875 77.85686 17.21968 
-26.74296      24.65042 
1 1 1 2   41 13 o 120.5467 7.193380 152.9526       17.55318  146.5641       
20.98374  167.8417       32.03450  116.9558 8.889404 121.6674 13.15723 
-4.711617      15.87874 
1 1 1 2   41 14 o 39.22307 15.43200 14.99283       18.05332  10.00148       
23.47709  22.21496       28.24020  39.24709 16.72459 46.06746 18.88352 
-6.820362      25.22497 
1 1 1 2   41 15 o 62.31775 12.97784 47.36142       15.91191  49.30411       
18.20806  41.08315       32.73270  62.20248 14.63849 52.07526 20.68675 
10.12721       25.34220 
1 1 1 2   41 16 o 57.68982 12.94086 42.13621       14.80761  41.41743       
16.32070  45.48233       35.21386  55.89120 14.30088 50.58094 20.94612 
5.310261       25.36247 
1 1 1 2   42 0  o 143.5494 4.738085 210.8434       13.83107  212.2943       
16.44692  207.3391       25.56057  143.8584 5.622093 140.9496 8.964329 
2.908737       10.58145 
1 1 1 2   42 1  o 91.30441 6.167172 86.06084       11.38350  88.05894       
13.23422  80.37784       22.31926  92.13474 7.118779 85.95870 13.18965 
6.176033       14.98812 
1 1 1 2   42 2  o 138.1638 4.116372 195.0561       11.56539  195.8783       
16.67333  194.2937       16.05599  138.0867 5.937713 137.5733 5.739203 
0.5134125      8.258019 
1 1 1 2   42 3  o 56.40577 8.410792 33.71455       9.352505  42.79139       
12.52980  22.29522       14.05390  63.19508 10.08946 45.30100 13.91494 
17.89408       17.18787 
1 1 1 2   42 4  o 144.8321 5.265257 215.1494       15.50729  227.3437       
22.80157  204.6552       21.15240  148.0007 7.601819 140.4660 7.431640 
7.534698       10.63094 
1 1 1 2   42 5  o 186.7973 4.601960 357.2838       17.48095  350.6768       
22.05318  368.4533       28.67386  184.6563 5.872940 188.6160 7.475776 
-3.959610      9.506768 
1 1 1 2   42 6  o 118.0595 5.335162 143.1408       12.80855  135.9399       
16.12888  155.4363       21.07579  114.4522 6.963023 121.7987 8.563689 
-7.346504      11.03723 
1 1 1 2   42 7  o 136.2974 5.997674 191.4224       16.62348  205.0686       
22.74664  175.7798       24.35386  140.1322 8.015574 129.0936 9.340164 
11.03864       12.30805 
1 1 1 2   42 8  o 64.34540 9.631424 44.47544       12.21507  51.82119       
15.39811  32.00535       20.06244  68.88142 11.39109 52.98412 16.68379 
15.89731       20.20162 
1 1 1 2   42 9  o 64.55493 10.24921 45.13500       13.00498  36.88324       
16.23439  59.91501       21.72701  56.89022 14.10324 72.27503 15.26172 
-15.38482      20.78031 
1 1 1 2   42 10 o 39.11354 15.01300 13.29325       16.75972  13.29325       
16.75972  0.000000       0.000000  39.11354 15.01300 ?        ?        
0.000000       15.01300 
1 1 1 2   42 11 o 44.66373 13.98275 22.47931       14.11506  39.74968       
17.25955  -12.39762      24.52719  58.44611 14.57227 33.56111 15.47392 
24.88500       21.25543 
1 1 1 2   42 12 o 32.05911 13.87148 1.542450       16.62041  13.88291       
22.06992  -14.62552      25.26171  41.43655 16.80414 33.08923 15.40974 
8.347317       22.79998 
1 1 1 2   42 13 o 75.84836 10.20115 63.76609       15.33532  64.76589       
18.23347  61.34927       28.34875  75.06139 12.37687 67.31824 19.55086 
7.743156       23.13920 
1 1 1 2   42 14 o 39.22251 14.38205 17.59696       15.01353  9.629576       
17.59382  38.94207       28.79727  35.43192 14.75005 52.31953 19.77458 
-16.88761      24.66978 
1 1 1 2   42 15 o 56.28044 12.79579 39.56610       14.31313  28.99083       
15.87071  85.64845       33.12973  46.57195 14.85781 71.80894 21.21594 
-25.23699      25.90117 
1 1 1 2   43 0  o 51.22734 8.324896 27.92135       8.374498  20.65351       
11.53057  36.03493       12.18301  43.42768 12.42726 57.62883 10.79255 
-14.20116      16.45953 
1 1 1 2   43 1  o 29.04561 10.61421 7.386717       8.167469  -1.453024      
11.43876  16.58066       11.66568  26.15419 11.41051 39.62927 12.74839 
-13.47508      17.10909 
1 1 1 2   43 2  o 129.6642 4.275878 171.9819       11.27449  174.4379       
16.33669  169.7483       15.57933  130.1632 6.171982 128.4546 5.964139 
1.708603       8.582791 
1 1 1 2   43 3  f 141.2934 4.489160 204.3859       12.89847  222.4149       
16.44045  175.5219       20.80209  147.1426 5.494444 129.7752 7.920412 
17.36742       9.639598 
1 1 1 2   43 4  o 86.72928 7.573612 78.60058       13.22335  90.19183       
22.87569  72.78377       16.20510  90.86775 12.72911 82.67239 9.831972 
8.195366       16.08409 
1 1 1 2   43 5  o 74.82787 7.215996 58.54422       10.84410  47.64537       
14.00780  74.84514       17.13112  66.29255 10.75982 83.60070 10.29433 
-17.30815      14.89117 
1 1 1 2   43 6  o 119.0242 5.625643 145.8377       13.61630  118.9587       
17.14494  191.7491       22.40730  106.5656 7.969347 135.3278 8.180831 
-28.76218      11.42088 
1 1 1 2   43 7  o 133.9207 5.211312 184.3992       14.19208  183.5826       
17.60139  185.9167       23.99334  133.2149 6.497449 132.7794 8.938062 
0.4354401      11.05015 
1 1 1 2   43 8  o 74.38388 8.734783 58.81077       12.96095  62.71424       
16.21883  51.91304       21.55994  76.01457 10.79565 66.65276 16.08973 
9.361809       19.37590 
1 1 1 2   43 9  o 126.6855 6.080271 165.9280       15.66395  157.5203       
19.18388  182.7459       27.13205  122.5867 7.735251 130.6021 10.29959 
-8.015434      12.88082 
1 1 1 2   43 10 o 90.69046 9.944590 88.63894       18.03918  88.63894       
18.03918  0.000000       0.000000  90.69046 9.944590 ?        ?        
0.000000       9.944590 
1 1 1 2   43 11 o 32.58133 13.30774 6.457596       13.96261  6.214898       
16.74777  7.010772       25.28455  34.50611 14.38006 40.18395 17.24580 
-5.677845      22.45448 
1 1 1 2   43 12 o 55.26714 16.02374 37.86740       19.05721  25.90224       
26.60567  50.47452       27.31008  48.07963 18.78809 61.48973 19.47688 
-13.41010      27.06180 
1 1 1 2   43 13 o 72.09288 10.95298 59.23440       15.55220  48.40071       
17.98214  91.39138       30.98067  62.61639 14.41992 81.82574 18.98563 
-19.20935      23.84090 
1 1 1 2   43 14 f 17.59093 8.821587 -34.72220      13.63856  -51.30945      
15.27212  30.60886       30.30903  16.79723 8.529197 46.89857 19.42789 
-30.10134      21.21768 
1 1 1 2   43 15 o 51.85581 13.27462 35.18723       14.05768  20.18690       
15.63344  98.54657       32.12990  39.25692 14.62446 77.32236 20.20880 
-38.06544      24.94535 
1 1 1 2   44 0  o 77.51743 5.882118 62.20090       9.203107  71.23618       
12.91280  52.87333       13.11999  82.46142 7.792859 70.44018 9.393396 
12.02124       12.20510 
1 1 1 2   44 1  o 22.60288 9.768682 -0.5323214     8.223659  12.21955       
11.70788  -12.95049      11.55367  35.72171 12.75414 21.17568 10.03464 
14.54603       16.22843 
1 1 1 2   44 2  o 86.00826 5.472823 76.35587       9.522235  91.08778       
14.23722  64.43195       12.80872  93.36668 7.563626 78.23861 8.171255 
15.12807       11.13453 
1 1 1 2   44 3  o 259.6095 4.431522 690.4859       23.39511  686.3917       
29.54539  697.3683       38.30655  258.2428 5.626134 259.2526 7.266052 
-1.009796      9.189609 
1 1 1 2   44 4  o 60.92760 10.53421 40.39576       12.57949  34.71414       
20.09562  44.05666       16.13091  54.84122 16.59810 62.70621 13.07375 
-7.864990      21.12865 
1 1 1 2   44 5  o 109.1589 5.634216 123.0786       12.46409  122.6596       
15.74487  123.7820       20.39942  108.4475 7.180129 108.0010 9.381551 
0.4464951      11.81388 
1 1 1 2   44 6  o 100.9442 7.140007 106.4009       14.56199  99.03395       
20.64844  113.6904       20.53951  95.77822 10.78948 103.1401 9.915080 
-7.361870      14.65338 
1 1 1 2   44 7  o 76.79595 8.045944 62.33173       12.37855  64.63288       
15.76263  58.62919       19.99433  77.32169 10.27957 71.73491 14.20896 
5.586777       17.53751 
1 1 1 2   44 8  o 144.9310 5.612170 216.7625       16.54031  234.8777       
20.68705  184.6584       27.53961  150.3648 6.765515 131.0829 10.41734 
19.28195       12.42148 
1 1 1 2   44 9  o 78.56660 9.095740 66.17110       14.26332  53.17962       
17.70620  90.18389       24.07228  68.42081 13.20414 89.24791 13.70166 
-20.82710      19.02853 
1 1 1 2   44 10 o 71.14797 12.47183 57.28375       17.38665  57.28375       
17.38665  0.000000       0.000000  71.14797 12.47183 ?        ?        
0.000000       12.47183 
1 1 1 2   44 11 o 40.03353 13.89892 17.73677       13.83268  14.19269       
17.04832  24.56576       23.66509  38.78336 15.07169 46.86938 17.87527 
-8.086018      23.38122 
1 1 1 2   44 12 o 102.9329 8.423484 114.6777       17.47740  122.7368       
21.17010  97.42822       30.97182  105.2242 10.01443 85.88152 18.29453 
19.34263       20.85615 
1 1 1 2   44 13 o 36.63866 13.87566 14.82025       14.19693  11.39570       
16.52460  24.47248       27.74235  35.42283 14.47383 44.75813 18.56790 
-9.335300      23.54270 
1 1 1 2   44 14 o 28.66288 12.44853 3.525330       13.48604  4.950130       
15.27285  -1.517491      28.73292  30.53475 13.25451 34.95797 16.33159 
-4.423225      21.03337 
1 1 1 2   45 0  o 67.85654 6.688198 48.10799       9.108943  59.64533       
12.68042  35.80676       13.09349  75.06880 8.453726 56.85068 11.71544 
18.21812       14.44704 
1 1 1 2   45 1  o 197.9668 3.862107 400.9479       15.54777  401.8101       
22.09598  400.1024       21.88132  197.5552 5.500134 197.1537 5.457794 
0.4015045      7.748483 
1 1 1 2   45 2  o 96.46735 5.238381 95.99241       10.23759  114.9230       
15.10644  79.91353       13.92222  104.9663 7.119285 87.16479 7.941594 
17.80154       10.66551 
1 1 1 2   45 3  o 80.43253 6.674109 67.48699       10.81771  57.05912       
13.93740  83.28815       17.15650  72.89787 9.638247 88.24065 9.722474 
-15.34278      13.69023 
1 1 1 2   45 4  o 200.0060 5.588227 412.4432       22.72838  437.9124       
35.09595  394.0458       29.82827  204.2783 8.448573 194.3893 7.545780 
9.888947       11.32772 
1 1 1 2   45 5  o 19.25897 9.195002 -12.59377      10.07435  -19.30956      
13.56496  -4.333502      15.04414  21.50388 10.37102 28.35105 12.68895 
-6.847168      16.38803 
1 1 1 2   45 6  o 104.3707 7.210215 114.0205       15.20923  106.4393       
21.64668  121.4120       21.37410  99.01614 10.93298 106.3484 10.00085 
-7.332253      14.81712 
1 1 1 2   45 7  o 49.87073 12.03940 28.09702       12.07084  38.31068       
15.52026  12.46044       19.20345  57.80891 13.45469 39.72166 15.82423 
18.08725       20.77102 
1 1 1 2   45 8  o 96.81230 7.473688 98.66299       14.59963  101.2824       
18.53504  94.38130       23.69733  97.09503 9.509460 91.58187 13.09746 
5.513161       16.18559 
1 1 1 2   45 9  o 127.0244 6.223511 167.8078       16.07585  157.2220       
19.43712  190.7259       28.59963  121.9079 7.882792 132.1935 10.73159 
-10.28558      13.31561 
1 1 1 2   45 10 o 35.29812 14.67015 7.670010       17.36284  7.670010       
17.36284  0.000000       0.000000  35.29812 14.67015 ?        ?        
0.000000       14.67015 
1 1 1 2   45 11 o 52.62672 13.45184 33.39970       14.45069  33.67749       
17.39825  32.78180       25.94867  51.83597 15.38928 50.48218 18.83435 
1.353790       24.32207 
1 1 1 2   45 12 o 26.70525 12.19334 -4.710711      14.73411  -15.95647      
17.95237  18.49781       25.78998  25.87349 12.33126 42.26976 17.74659 
-16.39627      21.61022 
1 1 1 2   45 13 o 92.27510 10.75276 99.95866       19.79858  52.84995       
24.65855  185.4249       33.21346  58.33998 18.51022 121.1167 13.72768 
-62.77676      23.04512 
1 1 1 2   45 14 o 24.96519 11.47404 -3.387728      13.33910  5.929581       
15.04343  -37.65979      28.85172  30.25120 13.14303 27.45095 13.61489 
2.800247       18.92365 
1 1 1 2   46 0  o 86.32674 5.687376 77.22198       9.928168  90.32541       
13.74588  62.93149       14.35502  92.83596 7.341122 76.61935 9.411134 
16.21661       11.93572 
1 1 1 2   46 1  o 30.46427 11.01897 8.637813       8.769765  28.28365       
12.36783  -11.22872      12.43710  50.08307 12.24589 22.75317 10.66657 
27.32990       16.24000 
1 1 1 2   46 2  o 66.71876 7.137770 46.84094       9.533926  41.64680       
13.74225  51.66082       13.23790  61.28966 11.44699 69.18134 9.674418 
-7.891685      14.98759 
1 1 1 2   46 3  o 92.51370 6.411771 89.15924       11.98804  92.49464       
16.01889  84.91322       18.07380  93.39352 8.528703 88.67249 10.20969 
4.721031       13.30325 
1 1 1 2   46 4  o 55.44445 11.56733 34.38443       12.62009  33.52718       
19.32980  35.02131       16.66108  53.34762 16.30790 54.82687 14.66001 
-1.479252      21.92860 
1 1 1 2   46 5  o 129.7378 5.306770 173.6087       14.00065  162.2914       
17.52302  193.5876       23.28207  124.6314 6.941555 135.2625 8.507681 
-10.63102      10.98025 
1 1 1 2   46 6  o 36.49258 13.41275 12.87367       13.06903  16.58966       
19.51841  9.853772       17.59558  42.03328 16.18460 37.21107 15.03448 
4.822208       22.09019 
1 1 1 2   46 7  f 68.37119 9.438122 50.68640       12.77244  55.86206       
16.50100  42.95072       20.17329  70.61329 11.91549 59.63266 16.21032 
10.98063       20.11848 
1 1 1 2   46 8  o 128.1349 6.160433 170.8220       16.05204  193.1293       
20.30000  133.6001       26.22234  135.3838 7.401610 109.4392 11.97833 
25.94460       14.08063 
1 1 1 2   46 9  o 35.23952 13.58298 11.34272       13.75902  11.64537       
16.59526  10.67720       24.60881  36.98325 14.71763 40.59646 17.20484 
-3.613216      22.64100 
1 1 1 2   46 10 o 37.13530 14.80194 12.52118       16.81078  12.52118       
16.81078  0.000000       0.000000  37.13530 14.80194 ?        ?        
0.000000       14.80194 
1 1 1 2   46 11 o 36.26740 13.59457 14.23066       13.55007  10.45255       
15.89171  24.29239       25.93402  34.86738 14.21435 44.98082 18.22485 
-10.11344      23.11261 
1 1 1 2   46 12 o 56.69016 12.47663 39.84220       13.99324  39.49875       
16.37394  40.77242       26.94741  54.65876 14.49478 50.85654 19.15017 
3.802219       24.01724 
1 1 1 2   46 13 o 23.79580 11.52120 -17.72395      17.14929  -23.76043      
21.11702  -6.031169      29.38999  25.36831 12.39479 33.31585 15.85036 
-7.947540      20.12125 
1 1 1 2   47 0  o 97.09890 5.365131 97.56919       10.55257  117.8702       
14.92887  77.29694       14.91830  106.1418 6.954999 85.13499 8.741131 
21.00679       11.17047 
1 1 1 2   47 1  o 125.5313 4.591081 161.9835       11.71975  150.2791       
16.37764  174.2672       16.77806  119.9851 6.739612 129.5550 6.368485 
-9.569939      9.272538 
1 1 1 2   47 2  o 75.38737 7.342170 59.93956       11.11291  45.46048       
14.25888  82.34174       17.73618  63.93599 11.38433 87.13350 10.20293 
-23.19751      15.28734 
1 1 1 2   47 3  o 180.0532 5.705253 335.4050       20.88945  335.0862       
32.47601  335.6301       27.28239  177.4850 9.027848 178.9979 7.495196 
-1.512878      11.73371 
1 1 1 2   47 4  o 184.8900 5.434884 353.2186       20.43408  365.4840       
28.92048  340.9910       28.87588  186.6383 7.619973 180.0788 7.885355 
6.559509       10.96553 
1 1 1 2   47 5  o 97.50096 7.637330 100.4061       15.02160  80.90568       
21.63089  118.5703       20.87667  84.53991 12.99861 104.7082 9.923022 
-20.16833      16.35329 
1 1 1 2   47 6  o 29.75821 12.25145 4.664859       11.95171  17.28692       
15.74844  -12.47857      18.35361  40.62200 14.75489 28.17796 13.12666 
12.44403       19.74882 
1 1 1 2   47 7  o 36.23742 13.16784 13.33989       12.54471  12.05154       
16.39243  15.16084       19.48834  37.30305 14.69595 40.60446 16.01508 
-3.301403      21.73600 
1 1 1 2   47 8  o 157.3275 5.578488 257.3038       17.84730  269.3287       
22.01175  234.2287       30.49192  160.1432 6.759191 145.9865 10.33805 
14.15669       12.35159 
1 1 1 2   47 9  o 46.18726 13.95306 25.90903       14.21078  8.349186       
17.05091  65.84887       25.71523  34.90622 14.52507 70.44871 17.91059 
-35.54249      23.06007 
1 1 1 2   47 10 o 48.46778 15.06385 30.16082       16.41560  30.16082       
16.41560  0.000000       0.000000  48.46778 15.06385 ?        ?        
0.000000       15.06385 
1 1 1 2   47 11 o 28.75252 12.53235 2.681328       13.76970  -11.96269      
16.34192  38.52961       25.56861  25.24718 11.95539 50.24575 18.70581 
-24.99857      22.19997 
1 1 1 2   47 12 o 37.26921 13.67861 17.84498       13.58533  25.93595       
15.39149  -10.68705      28.90326  43.10979 14.67280 32.30452 15.46458 
10.80527       21.31770 
1 1 1 2   47 13 o 31.88759 14.12360 7.944896       18.14553  -5.990571      
22.20712  35.94075       31.47590  29.26517 13.88076 43.20405 18.88633 
-13.93888      23.43862 
1 1 1 2   48 0  o 165.8576 4.181403 282.4985       14.10291  297.3055       
20.08195  268.0899       19.80989  169.3580 5.831075 160.6978 6.062068 
8.660233       8.411308 
1 1 1 2   48 1  o 117.8640 4.958456 143.2507       11.88445  152.8576       
16.70187  133.3978       16.91445  120.8226 6.825684 112.5412 7.432715 
8.281433       10.09134 
1 1 1 2   48 2  o 37.47670 12.04623 15.42777       10.41760  9.608117       
13.60110  23.68774       16.20373  34.30780 13.42586 45.47469 15.05073 
-11.16689      20.16875 
1 1 1 2   48 3  o 32.96303 12.93578 8.629691       12.65471  5.845610       
20.64996  10.30405       16.01410  36.87594 15.69903 36.23147 14.44528 
0.6444702      21.33368 
1 1 1 2   48 4  o 174.1895 4.642296 312.6010       16.44396  323.3101       
20.65235  294.0521       27.18018  176.5298 5.753073 166.7942 8.013457 
9.735611       9.864753 
1 1 1 2   48 5  o 36.81591 13.50503 13.68063       13.24019  32.59119       
19.98113  -1.122585      17.67852  51.65956 16.69131 31.56339 13.96226 
20.09617       21.76108 
1 1 1 2   48 6  o 40.84686 13.16334 19.07371       12.43328  43.35828       
16.19942  -15.73945      19.39573  60.65933 13.48221 27.88368 13.14921 
32.77565       18.83273 
1 1 1 2   48 7  o 37.86246 13.37036 15.70272       12.83267  10.12893       
16.36080  24.61431       20.68744  35.71844 14.47423 45.76770 16.86716 
-10.04926      22.22621 
1 1 1 2   48 8  o 48.75409 13.58492 28.98089       13.97048  36.58969       
17.50789  15.64442       23.17909  53.76941 15.28787 41.13038 17.01010 
12.63903       22.87056 
1 1 1 2   48 9  o 67.64174 10.81571 52.75304       14.37598  44.49825       
17.28315  71.28886       25.89857  59.29034 14.46343 72.02814 17.78725 
-12.73779      22.92547 
1 1 1 2   48 10 o 64.74060 13.38434 52.71077       17.03866  52.71077       
17.03866  0.000000       0.000000  64.74060 13.38434 ?        ?        
0.000000       13.38434 
1 1 1 2   48 11 o 32.94538 13.73746 10.37701       15.29680  10.37701       
15.29680  0.000000       0.000000  32.94538 13.73746 ?        ?        
0.000000       13.73746 
1 1 1 2   48 12 o ?        ?        -70.32285      17.02325  -70.32285      
17.02325  0.000000       0.000000  ?        ?        ?        ?        
0.000000       ?        
1 1 1 2   49 0  o 32.31100 11.65232 10.29037       9.796311  -1.617817      
13.50898  23.49815       14.22705  27.67571 12.22571 44.95206 14.03242 
-17.27636      18.61120 
1 1 1 2   49 1  o 169.7896 4.772707 297.4128       16.47886  291.2643       
20.64237  308.2156       27.36187  167.2825 6.068170 170.7306 7.881030 
-3.448120      9.946523 
1 1 1 2   49 2  o 97.09582 7.995050 100.4557       15.64572  89.35162       
24.25603  108.3674       20.47435  87.51972 14.10864 99.43520 10.27366 
-11.91547      17.45284 
1 1 1 2   49 3  o 57.10510 12.07476 37.48712       13.58353  -3.957253      
20.02828  72.78863       18.48449  32.19694 14.50658 80.40891 11.64338 
-48.21198      18.60132 
1 1 1 2   49 4  o 127.5365 5.509922 168.9282       14.28997  172.6707       
18.32379  163.1193       22.82906  127.9019 7.072565 122.7516 9.212743 
5.150360       11.61447 
1 1 1 2   49 5  o 117.8942 6.758550 146.5950       16.13545  123.5388       
23.09495  168.5811       22.55267  105.1707 10.95968 124.8036 8.945603 
-19.63291      14.14703 
1 1 1 2   49 6  o 26.47443 11.65915 -0.6851367     12.19351  -5.303957      
15.52285  6.756936       19.70393  27.58457 12.56399 35.72692 15.27553 
-8.142355      19.77867 
1 1 1 2   49 7  o 36.85941 13.37985 15.00261       12.94703  15.15845       
16.73831  14.77051       20.42765  38.25795 14.91549 39.41970 16.09816 
-1.161747      21.94590 
1 1 1 2   49 8  o 34.04314 13.33179 11.41046       13.41849  12.11013       
16.62787  10.10404       22.72133  35.91515 14.57862 37.59652 16.24316 
-1.681362      21.82605 
1 1 1 2   49 9  o 47.45219 15.22667 30.57151       16.65008  30.57151       
16.65008  0.000000       0.000000  47.45219 15.22667 ?        ?        
0.000000       15.22667 
1 1 1 2   49 10 o 36.50343 14.55609 16.20424       16.26316  16.20424       
16.26316  0.000000       0.000000  36.50343 14.55609 ?        ?        
0.000000       14.55609 
1 1 1 2   49 11 o 22.59143 10.84709 -12.30978      14.45747  -11.89033      
17.18607  -13.32518      26.73966  24.81486 11.89122 29.75980 14.40337 
-4.944941      18.67774 
1 1 1 2   49 12 o 38.64510 13.80564 22.48558       13.71978  19.69040       
15.60477  32.00401       28.79616  36.27747 14.32369 40.09792 17.77454 
-3.820450      22.82767 
1 1 1 2   50 0  o 121.9213 7.112988 157.1479       17.55874  168.5775       
26.63757  148.3657       23.34964  123.3752 10.72400 116.3497 9.964934 
7.025536       14.63913 
1 1 1 2   50 1  o 32.30597 13.13162 7.287785       13.51286  26.45902       
21.23087  -5.766791      17.51960  47.12020 17.12919 29.35388 13.36126 
17.76632       21.72401 
1 1 1 2   50 2  o 26.49762 11.60982 -0.4083709     11.95477  14.45985       
21.16043  -7.378794      14.48854  40.38153 16.42547 25.94492 11.93684 
14.43661       20.30478 
1 1 1 2   50 3  o 47.32809 12.89316 26.64188       12.74570  35.46459       
18.90154  19.28479       17.26033  52.94589 16.11375 41.59214 15.39180 
11.35375       22.28364 
1 1 1 2   50 4  o 137.1474 8.892609 204.4680       24.66723  0.000000       
0.000000  204.4680       24.66723  ?        ?        137.1474 8.892609 
0.000000       8.892609 
1 1 1 2   50 5  o 21.93335 10.31262 -9.802649      11.77189  -9.042006      
15.79220  -10.75385      17.65986  26.29753 12.22580 27.37287 12.79324 
-1.075348      17.69568 
1 1 1 2   50 6  o 35.05777 14.38782 10.37011       16.41884  10.37011       
16.41884  0.000000       0.000000  35.05777 14.38782 ?        ?        
0.000000       14.38782 
1 1 1 2   50 7  o 21.49792 10.54799 -25.34871      15.78729  -25.34871      
15.78729  0.000000       0.000000  21.49792 10.54799 ?        ?        
0.000000       10.54799 
1 1 1 2   50 8  o 45.10647 13.78203 26.67525       13.80757  18.17849       
17.06372  42.79022       23.49966  38.62799 15.05977 52.65559 18.12521 
-14.02760      23.56523 
1 1 1 2   50 9  o 86.29998 8.500456 84.51951       14.72411  78.88041       
17.29577  99.36634       28.06418  80.92149 10.77860 81.46996 17.46430 
-0.5484695     20.52267 
1 1 1 2   50 10 o 23.61715 11.06959 -6.028069      13.38430  -13.54905      
15.47653  16.28440       26.65693  23.04295 11.10427 36.82618 16.65072 
-13.78323      20.01378 
1 1 1 2   50 11 o 38.01379 15.06185 23.25340       17.31069  15.15495       
22.23171  35.72473       27.58852  34.34942 15.39570 41.38669 17.88958 
-7.037266      23.60222 
1 1 1 2   51 0  o 37.16097 13.92507 14.53217       14.21468  23.56082       
21.79932  7.853497       18.74894  44.80241 17.13968 35.56107 15.04110 
9.241333       22.80358 
1 1 1 2   51 1  o 46.86618 14.04967 26.94900       14.44905  48.21475       
22.17364  11.25502       19.04861  60.26873 17.22875 37.30295 15.42315 
22.96578       23.12365 
1 1 1 2   51 2  o 61.21233 13.31897 45.27348       16.10782  31.00336       
20.98092  65.75928       25.13838  48.86537 17.10886 70.09473 17.64760 
-21.22937      24.57948 
1 1 1 2   51 3  o 65.49055 16.50490 56.41467       21.97274  56.41467       
21.97274  0.000000       0.000000  65.49055 16.50490 ?        ?        
0.000000       16.50490 
1 1 1 2   51 4  o 28.11717 13.19706 -11.38865      19.13587  -11.38865      
19.13587  0.000000       0.000000  28.11717 13.19706 ?        ?        
0.000000       13.19706 
1 1 1 2   51 5  o 67.57104 9.339046 51.46710       12.48957  40.94463       
15.90209  68.40840       20.17757  56.86750 13.87423 74.02665 13.91467 
-17.15915      19.64974 
1 1 1 2   51 6  o 72.49911 9.218257 59.51633       13.28312  60.27554       
16.40423  58.07064       22.63682  70.78802 11.81204 63.89310 17.08956 
6.894924       20.77444 
1 1 1 2   51 7  o 34.75215 13.18422 14.08164       12.83141  25.37171       
15.99633  -6.292130      21.48858  43.04717 14.94638 30.10558 14.08377 
12.94160       20.53647 
1 1 1 2   51 8  o 48.83917 13.26097 32.16468       13.50948  29.33400       
16.39115  38.16045       23.85537  44.76808 15.14226 47.39631 17.97778 
-2.628223      23.50507 
1 1 1 2   51 9  o 33.27253 13.77165 13.33075       15.21131  17.63478       
19.25132  6.177915       24.81772  36.08221 15.25029 33.18203 15.39225 
2.900181       21.66778 
1 1 1 2   51 10 o 55.14060 12.83977 42.83781       14.12859  27.52761       
16.22334  90.90619       28.74615  40.82301 14.95311 67.25757 19.73180 
-26.43456      24.75761 
1 1 1 2   52 0  o 40.17536 14.30096 19.38464       14.70934  2.549854       
23.07952  30.90047       19.08846  35.07102 15.70512 48.21217 16.34057 
-13.14116      22.66418 
1 1 1 2   52 1  o 97.95613 7.040272 103.0199       13.93048  146.3103       
26.48516  86.46332       16.37914  111.7534 11.83449 87.99919 9.293540 
23.75420       15.04743 
1 1 1 2   52 2  o 29.50929 12.07971 6.408897       11.53657  -2.035865      
20.24446  10.47015       14.03920  31.61992 14.38114 33.61922 13.48339 
-1.999302      19.71342 
1 1 1 2   52 3  o 109.3787 6.243983 127.3796       13.83060  109.0345       
17.60034  156.9963       22.36290  98.97000 8.838108 118.2361 9.377884 
-19.26614      12.88630 
1 1 1 2   52 4  o 54.18680 12.59015 36.60312       13.60862  26.52856       
19.61601  45.95087       18.89520  44.11706 16.39219 57.94133 15.66251 
-13.82427      22.67197 
1 1 1 2   52 5  o 35.04985 12.88148 14.57647       12.05387  -6.849600      
15.37713  48.72635       19.41327  25.80059 12.01784 58.85239 15.86194 
-33.05180      19.90050 
1 1 1 2   52 6  o 24.68029 11.45147 -5.352220      13.74955  -20.52061      
19.08548  11.01475       19.82520  24.66943 11.99300 34.83908 15.11207 
-10.16965      19.29266 
1 1 1 2   52 7  o 31.93812 13.44905 10.17907       14.88356  13.73139       
20.51189  6.229065       21.62962  35.25837 15.33278 32.81415 14.90139 
2.444218       21.38097 
1 1 1 2   52 8  o 44.29047 13.45668 28.41995       13.19010  34.54972       
15.94136  15.11397       23.48696  47.16717 14.87425 35.16161 15.78750 
12.00556       21.69075 
1 1 1 2   52 9  o 39.37411 13.64091 24.00846       13.32047  25.45396       
15.81832  20.48462       24.69795  39.20088 14.68955 35.60703 16.06994 
3.593849       21.77213 
1 1 1 2   52 10 o 61.52083 11.48113 51.90445       13.83513  43.82999       
16.03143  75.46600       27.38530  51.38784 14.63542 55.77816 19.54547 
-4.390312      24.41764 
1 1 1 2   53 0  o 60.86591 11.01534 44.09257       13.13208  65.00365       
25.28756  36.37078       15.36659  65.93649 18.24305 52.66512 14.07772 
13.27137       23.04324 
1 1 1 2   53 1  o 44.73289 13.01395 25.63324       12.55123  -3.947988      
22.73072  38.60832       15.05428  31.79318 14.74193 54.62376 13.60411 
-22.83058      20.05981 
1 1 1 2   53 2  o 56.82066 12.22620 40.19847       13.70816  44.76097       
20.26638  36.35057       18.61169  55.39241 16.64687 50.32906 16.09328 
5.063347       23.15409 
1 1 1 2   53 3  o 31.04000 13.29102 6.719627       14.95624  -33.96274      
31.23603  18.82096       17.03607  29.65490 14.60659 38.48543 15.03552 
-8.830524      20.96233 
1 1 1 2   53 4  o 29.06242 12.28694 6.186700       12.50248  24.05379       
17.90370  -10.81893      17.46675  41.18897 15.58619 25.83252 12.26939 
15.35645       19.83601 
1 1 1 2   53 5  o 59.27180 10.28082 42.57370       11.94236  27.17367       
15.27644  66.77603       19.15094  43.28463 14.61842 70.15333 13.91562 
-26.86870      20.18273 
1 1 1 2   53 6  o 45.69751 13.01015 29.11302       12.67087  1.284842       
15.77266  79.75390       21.27713  27.87189 12.68318 74.88034 14.49702 
-47.00845      19.26205 
1 1 1 2   53 7  o 38.98513 13.20615 22.36430       12.46772  11.32006       
15.09973  46.02486       22.10110  31.40019 13.39753 48.98510 17.51984 
-17.58491      22.05535 
1 1 1 2   53 8  o 32.66181 12.93424 15.33270       12.75912  13.30052       
15.33368  19.90678       23.00475  31.61118 13.49457 34.75994 15.61467 
-3.148762      20.63786 
1 1 1 2   53 9  o 69.59555 10.17928 63.35680       13.98030  46.13820       
16.07412  116.8359       28.32828  52.51631 14.55008 77.28916 18.30595 
-24.77285      23.38403 
1 1 1 2   54 0  o 64.55009 10.04612 49.51445       12.75813  75.65796       
24.74485  40.04833       14.88980  70.50896 17.37111 54.74239 13.46794 
15.76657       21.98046 
1 1 1 2   54 1  f 45.45304 12.72430 27.36566       12.22662  43.33895       
23.26013  21.26709       14.37238  50.69834 17.99026 39.42277 14.12521 
11.27557       22.87293 
1 1 1 2   54 2  o 52.75399 10.59316 34.17419       10.96930  22.65742       
13.94332  52.87777       17.76901  40.31590 13.95680 61.58791 14.43877 
-21.27201      20.08159 
1 1 1 2   54 3  o 58.72561 10.99866 43.09166       12.65197  18.11211       
17.95957  67.70200       17.82635  36.69150 15.05180 71.84702 12.66393 
-35.15553      19.67058 
1 1 1 2   54 4  o 77.91749 7.827445 69.33530       12.23471  55.62449       
15.30749  93.58575       20.35786  65.27291 11.97365 84.58634 12.18708 
-19.31343      17.08488 
1 1 1 2   54 5  o 20.87550 9.885620 -7.122832      11.17538  3.131433       
14.82734  -20.60886      17.00408  27.57136 12.44659 22.12839 10.87542 
5.442972       16.52853 
1 1 1 2   54 6  o 28.87536 11.97807 9.522621       11.54374  17.26259       
14.61464  -3.317098      18.82333  34.03992 13.71990 26.88312 12.75923 
7.156801       18.73589 
1 1 1 2   54 7  o 20.94695 9.980153 -6.735091      11.73997  -1.758430      
14.20135  -17.47750      20.86466  24.37794 11.41861 24.19014 11.91936 
0.1877975      16.50624 
1 1 1 2   54 8  o 27.65247 11.97315 9.048393       12.39999  13.17456       
14.92642  -0.1412757     22.27573  30.13972 13.09320 27.48035 13.26269 
2.659372       18.63681 
1 1 1 2   55 0  o 49.49831 9.666925 29.95528       9.381331  9.107521       
12.48425  56.99839       14.21874  29.81997 12.42033 67.44472 10.72639 
-37.62474      16.41098 
1 1 1 2   55 1  o 21.56048 9.933581 -3.059918      10.08157  17.45832       
15.75524  -17.28626      13.11903  35.28613 14.23713 19.83824 9.708994 
15.44789       17.23254 
1 1 1 2   55 2  o 21.27248 10.06636 -7.027860      11.54695  -1.590732      
16.85780  -11.83348      15.84859  26.96924 12.56919 23.33145 11.24169 
3.637787       16.86298 
1 1 1 2   55 3  o 27.37982 11.74174 6.568225       11.70485  9.141310       
17.02892  4.263872       16.11516  30.64618 13.62263 28.35633 12.87137 
2.289848       18.74162 
1 1 1 2   55 4  o 18.81522 9.109647 -11.15860      10.72063  -17.32797      
13.85245  -1.945078      16.92852  20.04569 9.844548 26.21600 12.33888 
-6.170307      15.78490 
1 1 1 2   55 5  o 19.58740 9.415042 -8.782464      10.95883  -9.433482      
14.07776  -7.781215      17.45854  21.93390 10.57507 24.46035 11.78897 
-2.526453      15.83704 
1 1 1 2   55 6  o 21.75552 10.21686 -3.052406      11.49631  -3.940003      
14.46439  -1.529963      18.94360  23.40761 11.13150 26.18267 12.53023 
-2.775061      16.76058 
1 1 1 2   55 7  o 32.18790 12.64183 17.23458       12.09532  7.315169       
14.79156  37.25261       21.01269  26.96937 12.27631 38.83655 16.13948 
-11.86718      20.27784 
1 1 1 2   56 0  o 21.19561 9.725776 -1.619728      9.531012  -15.88585      
12.25936  20.17839       15.15390  18.94466 9.295182 35.33361 14.06308 
-16.38895      16.85736 
1 1 1 2   56 1  o 35.94244 14.35326 21.82748       15.83425  0.000000       
0.000000  21.82748       15.83425  ?        ?        35.94244 14.35326 
0.000000       14.35326 
1 1 1 2   56 2  o 18.91598 9.149030 -10.23976      10.74420  -13.93554      
16.28634  -7.391874      14.29655  22.29270 10.89061 22.63634 10.84684 
-0.3436413     15.37073 
1 1 1 2   56 3  o 73.01539 7.983828 64.11905       11.66115  63.50674       
15.21359  64.99117       18.15674  67.58226 11.48073 63.41540 14.40732 
4.166862       18.42221 
1 1 1 2   56 4  o 34.98551 12.43635 19.63809       11.12002  16.72543       
14.49400  23.80565       17.33740  31.81808 13.32847 34.90741 14.59622 
-3.089325      19.76607 
1 1 1 2   56 5  o 19.79181 9.508223 -6.890741      11.14330  -7.346333      
14.35644  -6.200283      17.67369  21.89785 10.58752 23.88659 11.59588 
-1.988743      15.70223 
1 1 1 2   56 6  o 17.53124 8.641331 -13.78281      10.99868  -1.951545      
13.93980  -33.29607      17.90218  22.84492 10.88185 19.04917 9.623034 
3.795753       14.52644 
1 1 1 2   57 0  o 22.16942 10.14187 0.6972358      10.25665  -2.557506      
12.11568  8.929686       19.26877  22.10807 10.41549 28.63771 13.37730 
-6.529648      16.95389 
1 1 1 2   57 1  f 24.80355 10.83004 5.896152       10.32322  14.23596       
22.23177  3.603648       11.65604  30.24513 14.20504 24.23728 10.97987 
6.007853       17.95385 
1 1 1 2   57 2  o 28.89425 11.74833 12.53512       10.81998  20.89496       
16.52292  6.258775       14.31665  32.68407 13.98173 26.17901 11.97836 
6.505058       18.41113 
1 1 1 2   57 3  o 24.42133 10.75631 5.891240       10.38132  -2.447523      
14.13340  15.66153       15.29852  22.84413 10.90234 29.95981 13.12995 
-7.115685      17.06624 
1 1 1 2   57 4  o 17.54089 8.591916 -11.03465      10.33852  -14.04509      
14.02134  -7.447988      15.30454  19.61741 9.686026 21.83746 10.64375 
-2.220051      14.39126 
1 1 1 2   58 0  o 24.03144 11.71379 -2.339807      18.54413  0.000000       
0.000000  -2.339807      18.54413  ?        ?        24.03144 11.71379 
0.000000       11.71379 
1 1 1 2   58 1  o 19.69981 9.291199 -2.220151      9.690029  -18.36930      
21.52649  1.883718       10.85163  22.20759 11.12911 22.11576 10.23034 
0.9183121E-01  15.11678 
1 1 1 2   58 2  o 14.33056 7.239412 -24.22962      10.13320  -33.06214      
16.02877  -18.34956      13.07823  17.51907 8.878988 17.80660 8.885804 
-0.2875290     12.56161 
1 1 1 3   0  0  o 1329.146 15.50204 17997.89       418.8706  17997.89       
418.8706  17997.89       418.8706  1329.146 15.50204 1329.146 15.50204 
0.000000       0.000000 
1 1 1 3   0  1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   0  2  o 87.28527 4.876638 78.20419       8.594131  78.20419       
8.594131  78.20419       8.594131  87.28527 4.876638 87.28527 4.876638 
0.000000       0.000000 
1 1 1 3   0  3  o 163.9620 4.467657 274.0216       14.87115  274.0216       
14.87115  274.0216       14.87115  163.9620 4.467657 163.9620 4.467657 
0.000000       0.000000 
1 1 1 3   0  4  o 43.10907 15.26330 24.92432       12.17174  24.92432       
12.17174  24.92432       12.17174  43.10907 15.26330 43.10907 15.26330 
0.000000       0.000000 
1 1 1 3   0  5  o 259.7413 5.061962 687.0787       26.71401  687.0787       
26.71401  687.0787       26.71401  259.7413 5.061962 259.7413 5.061962 
0.000000       0.000000 
1 1 1 3   0  6  o 72.13105 8.509615 55.12938       12.02578  55.12938       
12.02578  55.12938       12.02578  72.13105 8.509615 72.13105 8.509615 
0.000000       0.000000 
1 1 1 3   0  7  o 167.6405 5.669708 286.8390       19.27808  286.8390       
19.27808  286.8390       19.27808  167.6405 5.669708 167.6405 5.669708 
0.000000       0.000000 
1 1 1 3   0  8  o 467.7982 6.906740 2227.580       65.67040  2227.580       
65.67040  2227.580       65.67040  467.7982 6.906740 467.7982 6.906740 
0.000000       0.000000 
1 1 1 3   0  9  o 129.8508 7.660765 173.3232       20.06754  173.3232       
20.06754  173.3232       20.06754  129.8508 7.660765 129.8508 7.660765 
0.000000       0.000000 
1 1 1 3   0  10 o 376.4451 6.638916 1443.001       50.78618  1443.001       
50.78618  1443.001       50.78618  376.4451 6.638916 376.4451 6.638916 
0.000000       0.000000 
1 1 1 3   0  11 o 156.9529 8.202309 252.8041       26.01598  252.8041       
26.01598  252.8041       26.01598  156.9529 8.202309 156.9529 8.202309 
0.000000       0.000000 
1 1 1 3   0  12 o 273.3642 6.812820 762.1115       37.81901  762.1115       
37.81901  762.1115       37.81901  273.3642 6.812820 273.3642 6.812820 
0.000000       0.000000 
1 1 1 3   0  13 o 389.1907 6.802604 1544.153       53.80093  1544.153       
53.80093  1544.153       53.80093  389.1907 6.802604 389.1907 6.802604 
0.000000       0.000000 
1 1 1 3   0  14 o 407.8249 6.941483 1696.778       57.52991  1696.778       
57.52991  1696.778       57.52991  407.8249 6.941483 407.8249 6.941483 
0.000000       0.000000 
1 1 1 3   0  15 o 19.77662 13.77718 -18.21879      19.92431  -18.21879      
19.92431  -18.21879      19.92431  19.77662 13.77718 19.77662 13.77718 
0.000000       0.000000 
1 1 1 3   0  16 o 32.27674 20.83014 1.353314       31.80708  1.353314       
31.80708  1.353314       31.80708  32.27674 20.83014 32.27674 20.83014 
0.000000       0.000000 
1 1 1 3   0  17 o 67.58701 19.70640 58.29979       23.51624  58.29979       
23.51624  58.29979       23.51624  67.58701 19.70640 67.58701 19.70640 
0.000000       0.000000 
1 1 1 3   0  18 o 75.61145 19.78888 71.03004       26.29059  71.03004       
26.29059  71.03004       26.29059  75.61145 19.78888 75.61145 19.78888 
0.000000       0.000000 
1 1 1 3   0  19 o 133.0588 11.14229 187.2326       29.66236  187.2326       
29.66236  187.2326       29.66236  133.0588 11.14229 133.0588 11.14229 
0.000000       0.000000 
1 1 1 3   0  20 o 29.92172 19.19041 4.590540       26.46365  4.590540       
26.46365  4.590540       26.46365  29.92172 19.19041 29.92172 19.19041 
0.000000       0.000000 
1 1 1 3   0  21 o 55.69958 23.63824 51.09299       27.15644  51.09299       
27.15644  51.09299       27.15644  55.69958 23.63824 55.69958 23.63824 
0.000000       0.000000 
1 1 1 3   0  22 o 26.48475 17.51779 2.172971       24.60559  2.172971       
24.60559  2.172971       24.60559  26.48475 17.51779 26.48475 17.51779 
0.000000       0.000000 
1 1 1 3   1  0  o 132.1616 2.739022 177.6129       7.361259  160.8671       
10.22330  195.6431       10.60815  125.7701 3.997256 138.7016 3.761031 
-12.93144      5.488480 
1 1 1 3   1  1  o 815.0308 6.963132 6758.937       115.4064  6828.357       
232.9733  6736.363       132.8518  818.3209 14.00009 813.5732 8.030068 
4.747681       16.13954 
1 1 1 3   1  2  o 228.3607 3.159801 530.3253       14.67346  527.7886       
20.74095  532.8671       20.76187  227.7932 4.477510 228.8868 4.460610 
-1.093628      6.320217 
1 1 1 3   1  3  o 413.6940 4.176813 1740.892       35.13789  1716.190       
49.13153  1766.755       50.27309  410.6593 5.883385 416.6620 5.933354 
-6.002716      8.355771 
1 1 1 3   1  4  o 110.2324 4.309620 123.6265       9.660502  127.0393       
11.85699  116.8877       16.66149  111.7272 5.218720 106.8354 7.721139 
4.891823       9.319390 
1 1 1 3   1  5  o 141.0769 4.258724 202.4930       12.21763  184.3818       
14.57743  245.2486       22.39766  134.5959 5.325956 155.1702 7.098115 
-20.57426      8.874065 
1 1 1 3   1  6  f 327.7655 3.931758 1092.795       26.20605  1134.436       
37.75439  1054.078       36.40436  333.8787 5.560674 321.8363 5.562460 
12.04239       7.865244 
1 1 1 3   1  7  o 555.0514 5.284493 3134.406       59.64691  3151.033       
84.73761  3118.078       83.97451  556.3487 7.489929 553.4344 7.461564 
2.914246       10.57232 
1 1 1 3   1  8  o 186.6693 4.265621 354.4096       16.19223  345.5106       
22.80754  363.4533       22.99212  184.2805 6.086220 189.0070 5.982046 
-4.726456      8.533871 
1 1 1 3   1  9  o 491.0922 5.032575 2453.189       50.25795  2494.207       
71.77087  2413.724       70.39989  495.0753 7.128948 487.0236 7.108379 
8.051727       10.06732 
1 1 1 3   1  10 o 752.4324 7.865987 5763.494       120.3572  5653.628       
204.7366  5821.511       148.7802  744.3396 13.52611 755.9734 9.678034 
-11.63385      16.63190 
1 1 1 3   1  11 o 318.5331 4.626948 1032.220       29.97096  986.4845       
41.69715  1081.105       43.10876  311.3074 6.586664 325.8999 6.504738 
-14.59250      9.257200 
1 1 1 3   1  12 o 291.0840 9.165576 864.1450       54.25371  864.1450       
54.25371  0.000000       0.000000  291.0840 9.165576 ?        ?        
0.000000       9.165576 
1 1 1 3   1  13 o 182.4448 5.169621 338.9041       19.17969  345.5647       
27.36113  332.4694       26.89328  184.1036 7.308365 180.5806 7.323544 
3.523056       10.34633 
1 1 1 3   1  14 o 149.6977 5.801592 228.3648       17.66093  233.4003       
24.99608  223.3452       24.95662  150.9539 8.173293 147.6334 8.347043 
3.320541       11.68229 
1 1 1 3   1  15 o 36.88737 14.11827 9.685714       14.79541  -11.87999      
21.12702  30.44141       20.72646  32.52221 14.75281 54.22192 16.93884 
-21.69972      22.46263 
1 1 1 3   1  16 o 106.9531 11.60139 119.1451       24.82761  121.0859       
34.76030  117.1239       35.47364  106.5630 16.57982 104.5639 17.28701 
1.999084       23.95268 
1 1 1 3   1  17 f 142.4392 6.723329 207.3542       19.47445  223.8662       
27.29037  190.2213       27.79873  147.4051 9.149471 135.6173 10.15363 
11.78773       13.66781 
1 1 1 3   1  18 o 180.1806 6.199811 331.7292       22.71631  359.6065       
32.08609  303.7136       32.16549  187.2077 8.428329 171.6457 9.249361 
15.56204       12.51349 
1 1 1 3   1  19 o 44.86311 16.16718 18.25768       18.85374  2.011042       
26.03540  36.17171       27.33877  41.43683 17.63389 58.99454 19.55085 
-17.55771      26.32850 
1 1 1 3   1  20 o 126.6158 8.389461 165.8836       21.47859  216.3094       
31.37279  121.3972       29.46730  143.8869 10.80093 106.5125 13.93915 
37.37437       17.63406 
1 1 1 3   1  21 o 49.79910 17.45664 25.33925       21.84567  46.17236       
41.29403  17.24271       25.74304  65.33726 23.86794 47.02176 18.45092 
18.31550       30.16811 
1 1 1 3   1  22 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   2  0  f 475.4411 4.475056 2298.955       43.26598  2296.809       
61.10268  2301.113       61.27236  475.1561 6.323719 475.6006 6.335352 
-0.4445496     8.951319 
1 1 1 3   2  1  o 677.0425 5.932838 4663.175       81.68267  4954.826       
172.4900  4578.866       92.74039  697.3069 12.16434 670.8391 6.798282 
26.46790       13.93513 
1 1 1 3   2  2  o 676.8806 8.426990 4664.662       115.9941  0.000000       
0.000000  4664.662       115.9941  ?        ?        676.8806 8.426990 
0.000000       8.426990 
1 1 1 3   2  3  o 248.3652 3.323649 627.3750       16.78639  625.3950       
23.74907  629.3519       23.73002  247.9371 4.710354 248.7208 4.691746 
-0.7836914     6.648302 
1 1 1 3   2  4  o 516.7040 5.643222 2717.535       59.29531  2752.164       
73.33904  2652.172       100.7596  519.8419 6.937652 509.9104 9.717197 
9.931427       11.93964 
1 1 1 3   2  5  o 211.2635 4.006413 454.0615       17.21201  468.4985       
21.36672  427.3775       29.04857  214.5660 4.896950 204.8449 6.973460 
9.721115       8.521107 
1 1 1 3   2  6  f 174.3440 3.713127 309.1750       13.16432  293.1764       
18.35024  326.1394       18.89606  169.7386 5.316302 179.0301 5.190318 
-9.291428      7.429836 
1 1 1 3   2  7  o 304.3766 3.940002 942.3063       24.38704  937.4921       
34.31834  947.2172       34.66119  303.5468 5.559671 305.1162 5.586333 
-1.569366      7.881438 
1 1 1 3   2  8  o 325.1289 4.203215 1075.144       27.79000  1143.923       
40.47102  1013.780       38.22691  335.3160 5.935242 315.6653 5.955125 
19.65063       8.407771 
1 1 1 3   2  9  o 442.9636 4.775677 1995.830       43.01842  2015.971       
61.03904  1975.953       60.63742  445.1086 6.743575 440.6675 6.766721 
4.441162       9.553236 
1 1 1 3   2  10 o 344.9701 5.264588 1210.663       36.93153  1213.638       
63.49898  1209.142       45.40004  345.2083 9.045530 344.7046 6.476758 
0.5037231      11.12520 
1 1 1 3   2  11 o 362.1135 4.706796 1334.022       34.65944  1281.887       
47.97970  1390.918       50.12215  354.8644 6.648807 369.6467 6.667935 
-14.78232      9.416368 
1 1 1 3   2  12 o 408.6426 5.621016 1699.859       46.71000  1608.551       
77.72535  1751.478       58.44028  397.0708 9.625943 414.6756 6.930306 
-17.60474      11.86119 
1 1 1 3   2  13 o 341.8468 4.690778 1189.531       32.60827  1236.187       
47.30146  1147.278       45.01368  348.2842 6.678659 335.5352 6.597127 
12.74899       9.387576 
1 1 1 3   2  14 o 298.3049 4.693547 906.1205       28.47167  880.9246       
39.92175  932.2021       40.61729  293.9051 6.679609 302.3479 6.606212 
-8.442841      9.394638 
1 1 1 3   2  15 o 233.5838 4.953243 555.8872       23.52794  589.2410       
33.70085  524.1730       32.86206  240.2612 6.897723 226.5769 7.132269 
13.68428       9.922089 
1 1 1 3   2  16 o 127.2790 10.46862 167.5546       26.85533  178.4522       
37.56778  156.1663       38.40438  130.4279 14.40462 121.4864 15.92924 
8.941490       21.47636 
1 1 1 3   2  17 o 169.8693 6.048940 294.6231       20.89516  326.4712       
30.57191  266.7031       28.62455  178.4657 8.423965 161.0170 8.775206 
17.44870       12.16419 
1 1 1 3   2  18 o 295.3087 5.229663 889.8307       31.40518  857.6598       
43.80644  923.8491       45.04680  289.3984 7.443727 300.3777 7.374709 
-10.97928      10.47833 
1 1 1 3   2  19 o 113.8995 9.195398 134.3809       21.11666  106.7957       
30.34306  160.2886       29.40594  99.69903 15.46753 123.7599 11.82837 
-24.06084      19.47190 
1 1 1 3   2  20 o 54.23833 16.28419 31.91869       19.39986  52.14479       
28.02638  13.31261       26.88057  68.17919 19.32782 46.45098 18.64750 
21.72821       26.85691 
1 1 1 3   2  21 o 71.46828 15.87710 57.40341       22.47498  104.2824       
44.44268  41.29504       26.05174  92.79142 23.52137 60.50514 19.00517 
32.28628       30.23989 
1 1 1 3   2  22 o 123.6049 8.051013 159.9825       20.12615  156.7581       
27.77569  163.5467       29.20331  120.5832 11.46529 122.9682 11.82430 
-2.385033      16.47019 
1 1 1 3   3  0  o 1261.106 10.40983 16194.37       266.9601  16297.34       
379.7491  16093.77       375.3664  1264.166 14.77207 1256.265 14.69341 
7.900391       20.83531 
1 1 1 3   3  1  o 775.3177 7.699665 6117.547       121.3956  5944.023       
204.8129  6211.522       150.7248  763.5691 13.19039 781.0652 9.489555 
-17.49615      16.24925 
1 1 1 3   3  2  f 562.6874 5.134236 3220.922       58.74818  3287.716       
69.04129  3045.660       111.8362  568.4399 5.972730 546.7637 10.05846 
21.67627       11.69812 
1 1 1 3   3  3  o 617.5838 6.411151 3882.330       80.51621  3971.966       
141.9342  3839.797       97.77009  623.9696 11.18593 614.0251 7.830120 
9.944519       13.65415 
1 1 1 3   3  4  o 426.5287 4.985518 1851.361       43.24242  1912.442       
54.16625  1744.023       71.80464  433.4111 6.145785 413.6365 8.536547 
19.77454       10.51871 
1 1 1 3   3  5  o 343.0620 4.514235 1197.498       31.49258  1147.947       
37.58836  1314.202       57.68569  335.8313 5.504029 359.1277 7.898921 
-23.29633      9.627424 
1 1 1 3   3  6  o 135.2139 3.995410 185.9764       10.98587  199.2650       
15.96326  174.0200       15.14198  139.9311 5.609911 130.7653 5.694279 
9.165802       7.993492 
1 1 1 3   3  7  o 426.2992 4.498169 1848.594       38.99435  1887.675       
55.91403  1811.587       54.40944  430.6858 6.384235 421.9189 6.341526 
8.766815       8.998523 
1 1 1 3   3  8  o 375.1225 4.376415 1431.239       33.38436  1451.878       
47.56878  1411.207       46.86432  377.7545 6.192427 372.4263 6.188004 
5.328278       8.754288 
1 1 1 3   3  9  o 699.6729 6.369197 4980.907       90.62148  4972.889       
127.8740  4988.997       128.4442  698.8716 8.997738 699.9999 9.023293 
-1.128296      12.74281 
1 1 1 3   3  10 o 698.4527 7.424309 4965.657       105.4495  4954.330       
182.1384  4971.368       129.3285  696.8854 12.85253 698.6595 9.102849 
-1.774109      15.74959 
1 1 1 3   3  11 o 172.4556 5.327680 302.6241       18.68387  291.8732       
26.41457  313.3887       26.43139  169.2961 7.672649 175.4342 7.408910 
-6.138168      10.66590 
1 1 1 3   3  12 o 257.0842 5.497206 672.7615       28.73882  694.4131       
50.00124  662.0803       35.11926  260.9039 9.424292 254.9609 6.773612 
5.943024       11.60599 
1 1 1 3   3  13 o 184.5290 5.241527 346.7137       19.66862  357.8039       
27.65392  335.3601       27.98020  187.3343 7.259188 181.3408 7.587591 
5.993515       10.50083 
1 1 1 3   3  14 o 205.5744 5.006553 430.4264       20.92952  421.8661       
29.20578  439.4634       30.00816  203.3487 7.062783 207.5418 7.110207 
-4.193085      10.02187 
1 1 1 3   3  15 o 142.4733 6.166173 207.0432       17.86490  212.2244       
25.10606  201.7289       25.42654  143.7745 8.626965 140.1053 8.971578 
3.669250       12.44643 
1 1 1 3   3  16 o 105.9155 9.699244 116.0469       20.65851  142.3330       
36.25231  103.4061       25.13976  115.9255 15.78891 99.28747 12.74560 
16.63799       20.29137 
1 1 1 3   3  17 f 258.4680 5.162978 681.3452       27.13679  680.4667       
38.19159  682.2410       38.56559  257.9109 7.281931 258.2335 7.344055 
-0.3226318     10.34223 
1 1 1 3   3  18 o 48.61015 15.92707 24.02812       18.16246  43.07001       
25.43348  4.212008       25.94537  63.04702 18.57819 42.36756 17.79445 
20.67946       25.72531 
1 1 1 3   3  19 f 134.3315 7.856120 185.7684       21.36691  202.9001       
30.14504  168.4713       30.29022  139.6961 10.69278 126.8814 11.87781 
12.81469       15.98180 
1 1 1 3   3  20 o 86.35557 11.41199 78.96750       19.54930  103.4225       
29.03414  58.68540       26.44121  97.73405 15.09503 72.36857 18.03266 
25.36548       23.51673 
1 1 1 3   3  21 o 109.9448 10.80807 127.9765       23.85200  117.3298       
45.30352  132.0595       28.05526  98.82797 22.97774 110.9016 12.66739 
-12.07365      26.23812 
1 1 1 3   3  22 o 120.9562 11.84171 158.3777       28.75328  0.000000       
0.000000  158.3777       28.75328  ?        ?        120.9562 11.84171 
0.000000       11.84171 
1 1 1 3   4  0  o 246.1299 3.103426 616.0407       15.53307  624.8096       
22.08973  607.4638       21.84645  247.8587 4.382629 244.3938 4.395813 
3.464935       6.207303 
1 1 1 3   4  1  o 574.7328 5.190056 3360.033       60.65820  3322.941       
84.95766  3398.603       86.63422  571.4287 7.311207 577.8935 7.372083 
-6.464783      10.38274 
1 1 1 3   4  2  o 882.4473 7.496212 7926.836       134.5185  7930.867       
155.4641  7914.829       268.3365  882.5010 8.662906 880.2585 14.99057 
2.242493       17.31366 
1 1 1 3   4  3  o 179.7928 3.630268 328.7963       13.27280  306.2377       
22.13825  341.4552       16.58387  173.4516 6.276442 183.2041 4.451427 
-9.752518      7.694733 
1 1 1 3   4  4  o 564.5531 6.034914 3244.810       69.28310  3235.252       
84.55185  3264.343       120.8707  563.5419 7.378115 565.5117 10.51061 
-1.969788      12.84171 
1 1 1 3   4  5  o 101.2133 8.580807 105.1675       17.49478  0.000000       
0.000000  105.1675       17.49478  ?        ?        101.2133 8.580807 
0.000000       8.580807 
1 1 1 3   4  6  o 540.6752 5.152921 2974.488       56.65541  3027.838       
81.38657  2924.327       78.91621  545.2973 7.339526 535.9059 7.241463 
9.391418       10.31055 
1 1 1 3   4  7  o 714.4473 6.385531 5194.478       92.77237  5052.582       
128.0631  5351.181       134.5792  704.3257 8.941264 724.8127 9.130630 
-20.48694      12.77946 
1 1 1 3   4  8  o 258.5555 4.030795 679.9095       21.19317  699.3899       
30.19998  661.0073       29.74846  262.1974 5.664047 254.8993 5.739107 
7.298111       8.063422 
1 1 1 3   4  9  o 442.3596 4.768304 1990.400       42.89343  2040.828       
61.56239  1942.822       59.79708  447.8409 6.759900 436.9568 6.729613 
10.88412       9.538550 
1 1 1 3   4  10 o 274.6118 5.167108 767.1799       28.85481  758.8050       
49.48528  771.4943       35.51793  272.9615 8.915039 275.3448 6.343359 
-2.383331      10.94149 
1 1 1 3   4  11 o 444.4255 4.977242 2009.605       44.98204  1954.710       
62.42903  2068.876       64.86955  438.1692 7.006374 450.7774 7.076644 
-12.60818      9.958322 
1 1 1 3   4  12 o 215.5366 5.654172 472.9242       24.78229  521.6407       
43.05174  448.7815       30.30718  226.1266 9.362409 209.8894 7.100742 
16.23727       11.75054 
1 1 1 3   4  13 o 355.0929 4.727766 1283.567       34.13889  1267.374       
48.02905  1300.102       48.53428  352.6364 6.697696 357.1625 6.682382 
-4.526154      9.461149 
1 1 1 3   4  14 o 285.8029 4.693605 831.7893       27.27876  841.7396       
38.85212  822.1151       38.30957  287.2880 6.650371 283.9212 6.635262 
3.366760       9.394367 
1 1 1 3   4  15 o 27.93463 12.47507 -5.891367      14.45593  4.743830       
20.45482  -16.50360      20.43273  38.68356 15.98719 30.35093 14.03915 
8.332638       21.27646 
1 1 1 3   4  16 o 209.2466 6.097418 446.8182       25.94512  531.5428       
47.05533  409.8096       31.09965  227.4831 10.17204 200.1850 7.639635 
27.29814       12.72142 
1 1 1 3   4  17 o 24.24784 11.74689 -29.21810      17.89258  -59.29869      
23.31380  13.89125       27.90972  23.98547 11.95234 47.94891 19.08483 
-23.96344      22.51864 
1 1 1 3   4  18 o 144.3381 7.030038 213.1997       20.63431  189.2006       
29.46796  236.2872       28.90289  134.9644 10.82808 151.2783 9.442535 
-16.31389      14.36693 
1 1 1 3   4  19 o 60.59583 15.39571 40.10979       19.00935  59.14022       
27.48480  22.65871       26.31960  73.04331 18.48740 51.08297 18.98623 
21.96034       26.50020 
1 1 1 3   4  20 o 131.8934 8.051659 179.7657       21.49190  166.1540       
31.13569  192.1537       29.70316  125.4116 12.36983 135.5037 10.87106 
-10.09208      16.46793 
1 1 1 3   4  21 o 67.22430 16.37887 51.20689       22.18453  39.25558       
41.66237  55.93661       26.20920  62.38103 23.73512 69.68512 18.27113 
-7.304089      29.95313 
1 1 1 3   4  22 o 63.20413 14.31655 45.48764       17.97398  8.081971       
24.19702  91.53550       26.84713  41.03566 17.20712 89.81158 15.24498 
-48.77592      22.98901 
1 1 1 3   5  0  o 827.8132 7.048691 6972.820       118.6567  6995.729       
168.2976  6950.177       167.3185  828.8624 9.984911 826.1626 9.959255 
2.699768       14.10267 
1 1 1 3   5  1  o 743.8311 6.429796 5629.600       97.25748  5678.904       
138.6684  5581.866       136.4442  746.8127 9.130919 740.4125 9.062124 
6.400208       12.86452 
1 1 1 3   5  2  o 205.3569 3.556639 428.9052       14.85254  404.1877       
17.91102  483.3192       26.57496  199.3367 4.418568 217.9386 5.996351 
-18.60188      7.448487 
1 1 1 3   5  3  o 457.6872 5.146491 2131.579       47.89954  2221.408       
85.21217  2090.082       57.91578  466.8560 8.975677 453.1225 6.285356 
13.73352       10.95758 
1 1 1 3   5  4  o 382.1455 4.695663 1486.018       36.49028  1431.244       
43.43374  1617.443       67.27872  374.9662 5.696179 398.3497 8.305424 
-23.38342      10.07107 
1 1 1 3   5  5  o 188.5407 4.025615 361.6329       15.43436  370.1070       
19.13905  345.8722       26.10131  190.7108 4.935073 184.2865 6.964941 
6.424347       8.536119 
1 1 1 3   5  6  o 447.0287 5.264764 2033.371       47.85925  1950.694       
80.70379  2078.219       59.43881  437.5251 9.070674 451.8457 6.468872 
-14.32062      11.14107 
1 1 1 3   5  7  o 545.7540 5.227967 3030.156       58.02046  3045.444       
82.39609  3015.120       81.71481  546.9706 7.407833 544.2427 7.383405 
2.727844       10.45900 
1 1 1 3   5  8  o 662.9769 6.076223 4471.921       81.91880  4423.891       
114.7733  4521.799       116.9590  659.2007 8.561933 666.4486 8.630092 
-7.247925      12.15669 
1 1 1 3   5  9  o 515.5812 7.340160 2705.319       76.95804  0.000000       
0.000000  2705.319       76.95804  ?        ?        515.5812 7.340160 
0.000000       7.340160 
1 1 1 3   5  10 o 489.5396 5.926082 2438.465       58.99387  2459.386       
102.3844  2428.067       72.18063  491.2758 10.24842 488.4043 7.267579 
2.871460       12.56375 
1 1 1 3   5  11 o 233.0810 6.734779 553.0716       31.92139  553.0716       
31.92139  0.000000       0.000000  233.0810 6.734779 ?        ?        
0.000000       6.734779 
1 1 1 3   5  12 o 204.9723 5.873661 427.7570       24.48249  506.2555       
43.01876  390.1526       29.77463  222.7461 9.497216 195.6734 7.482781 
27.07266       12.09087 
1 1 1 3   5  13 o 371.8571 4.768508 1407.689       36.05869  1446.775       
51.68322  1370.618       50.33297  376.7528 6.745926 366.7023 6.749747 
10.05051       9.542882 
1 1 1 3   5  14 o 45.73725 14.27636 21.42495       14.72632  18.72485       
20.57204  24.26272       21.08995  46.53996 16.87002 50.28819 17.17525 
-3.748226      24.07461 
1 1 1 3   5  15 o 147.8594 8.465865 224.3661       25.34912  0.000000       
0.000000  224.3661       25.34912  ?        ?        147.8594 8.465865 
0.000000       8.465865 
1 1 1 3   5  16 o 101.0696 9.626204 105.7485       19.54553  133.9003       
33.70649  91.48676       23.99090  112.5445 15.10940 93.21798 13.01061 
19.32655       19.93915 
1 1 1 3   5  17 o 150.4787 7.226529 231.6500       22.11343  255.0542       
27.68289  190.3838       36.75888  157.4521 8.679448 134.7387 13.60205 
22.71341       16.13532 
1 1 1 3   5  18 o 59.99365 14.67313 39.08876       17.75287  71.25723       
25.93578  10.72976       24.35172  80.96863 16.31563 44.13074 17.73717 
36.83788       24.09994 
1 1 1 3   5  19 f 108.1870 9.522593 121.5354       20.73639  109.4389       
29.23150  133.7890       29.42077  101.1759 14.63268 112.5545 13.09906 
-11.37852      19.63926 
1 1 1 3   5  20 o 198.7781 6.370969 405.0091       25.75286  349.5486       
36.96338  457.3244       35.89997  183.3557 9.950735 210.6083 8.382379 
-27.25255      13.01082 
1 1 1 3   5  21 o 83.67278 13.79956 76.70815       22.66150  8.114378       
42.96165  103.1508       26.67420  51.95716 22.39165 97.25240 13.88168 
-45.29525      26.34553 
1 1 1 3   5  22 o 36.65058 15.38730 5.425920       19.38831  -1.806062      
23.51569  20.77789       34.26188  36.63671 16.15997 50.94667 20.83185 
-14.30995      26.36495 
1 1 1 3   6  0  o 599.2864 6.188106 3653.898       75.41255  3632.448       
130.4013  3664.676       92.43816  597.1572 10.73846 600.0781 7.575165 
-2.920898      13.14145 
1 1 1 3   6  1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   6  2  o 605.0513 5.433976 3724.894       66.85922  3774.145       
78.14286  3590.334       129.1632  608.9630 6.310257 593.4165 10.70355 
15.54645       12.42519 
1 1 1 3   6  3  o 206.3601 3.701131 433.1733       15.53144  420.8572       
26.09720  439.9279       19.32676  203.3212 6.311897 207.9391 4.570581 
-4.617981      7.792962 
1 1 1 3   6  4  o 509.3153 4.851460 2639.789       50.24705  2615.606       
70.49315  2664.765       71.64086  506.7614 6.840565 511.4953 6.887597 
-4.733917      9.707334 
1 1 1 3   6  5  o 247.6246 5.048498 623.9839       25.42187  623.9839       
25.42187  0.000000       0.000000  247.6246 5.048498 ?        ?        
0.000000       5.048498 
1 1 1 3   6  6  o 293.6881 4.425087 877.4377       26.42771  920.6808       
47.00670  857.4523       31.95638  300.6829 7.687756 290.2873 5.413499 
10.39560       9.402529 
1 1 1 3   6  7  o 361.3944 5.899417 1328.909       43.35527  1328.909       
43.35527  0.000000       0.000000  361.3944 5.899417 ?        ?        
0.000000       5.899417 
1 1 1 3   6  8  o 504.8071 5.036442 2592.160       51.70121  2634.161       
73.97888  2552.062       72.28369  508.7677 7.150506 500.7798 7.098100 
7.987915       10.07535 
1 1 1 3   6  9  o 343.3864 4.345910 1199.309       30.34696  1249.208       
43.82223  1153.331       42.06581  350.3990 6.150072 336.6841 6.144056 
13.71484       8.693263 
1 1 1 3   6  10 o 470.9791 5.814099 2257.048       55.68465  2365.268       
98.73335  2206.567       67.43267  481.7868 10.07761 465.5976 7.122103 
16.18927       12.34028 
1 1 1 3   6  11 o 381.8820 6.804379 1484.753       52.84076  0.000000       
0.000000  1484.753       52.84076  ?        ?        381.8820 6.804379 
0.000000       6.804379 
1 1 1 3   6  12 o 44.18982 15.38103 17.92016       16.94523  2.335757       
28.07469  26.85129       21.25314  43.80965 18.46091 52.26650 17.23405 
-8.456852      25.25505 
1 1 1 3   6  13 o 175.6761 5.372180 314.2980       19.19175  280.0744       
26.71498  350.7964       27.58855  165.6799 7.929279 185.4697 7.314833 
-19.78987      10.78797 
1 1 1 3   6  14 o 251.0952 6.640554 643.0818       33.90738  0.000000       
0.000000  643.0818       33.90738  ?        ?        251.0952 6.640554 
0.000000       6.640554 
1 1 1 3   6  15 o 218.4303 4.964386 486.1540       22.05108  484.5848       
31.17982  487.7242       31.19006  217.8431 7.038471 218.5504 7.017998 
-0.7072296     9.939435 
1 1 1 3   6  16 o 94.16664 10.25793 92.16611       19.32525  114.5482       
36.10917  83.18195       22.87737  103.1406 17.86317 88.78552 13.06139 
14.35511       22.12900 
1 1 1 3   6  17 o 165.2871 6.951004 279.3813       23.36349  279.1597       
29.34312  279.7653       38.61664  164.7106 8.792380 164.1609 11.64340 
0.5496216      14.59023 
1 1 1 3   6  18 o 87.15422 10.69226 79.52754       18.55254  62.00201       
27.38809  94.38854       25.22028  75.02321 18.14946 94.31305 13.53824 
-19.28984      22.64259 
1 1 1 3   6  19 o 201.9052 6.240677 416.9853       25.62304  417.4514       
37.41343  416.5736       35.16400  201.3306 9.138320 201.2676 8.591579 
0.6298828E-01  12.54289 
1 1 1 3   6  20 o 203.4736 8.504146 427.1670       35.18764  0.000000       
0.000000  427.1670       35.18764  ?        ?        203.4736 8.504146 
0.000000       8.504146 
1 1 1 3   6  21 o 71.40723 15.89643 57.56778       22.48948  -37.86394      
44.51303  90.27724       26.06018  41.98031 19.83441 90.46619 14.66803 
-48.48588      24.66890 
1 1 1 3   6  22 f 34.37024 14.88633 0.8186595      19.17964  20.43362       
23.42677  -39.05610      33.40164  46.46764 17.77004 34.11691 16.40849 
12.35072       24.18703 
1 1 1 3   7  0  o 717.6291 6.223218 5239.798       90.81686  5083.760       
177.4615  5295.164       105.7078  706.1623 12.35800 721.3275 7.206476 
-15.16522      14.30572 
1 1 1 3   7  1  o 843.2061 7.188222 7236.899       123.2556  7072.903       
170.6711  7415.666       178.1915  833.1691 10.07339 853.0831 10.27174 
-19.91394      14.38686 
1 1 1 3   7  2  o 596.6643 6.207876 3623.445       75.32246  3526.293       
90.22692  3846.833       136.8166  588.4694 7.539817 614.1243 10.95547 
-25.65491      13.29929 
1 1 1 3   7  3  o 234.9460 3.326640 561.4595       15.89371  573.6945       
22.80536  549.9045       22.16262  237.4475 4.723000 232.4734 4.688096 
4.974121       6.654696 
1 1 1 3   7  4  o 288.1434 3.605285 844.5920       21.12515  821.0989       
29.45100  869.4901       30.31884  284.0395 5.098822 292.2895 5.100913 
-8.249969      7.212302 
1 1 1 3   7  5  o 86.64797 4.852694 76.63425       8.516140  72.67507       
12.04486  80.59181       12.04242  84.17784 7.102774 88.71194 6.725475 
-4.534103      9.781688 
1 1 1 3   7  6  o 168.0396 4.394982 287.2491       15.01828  375.7336       
28.35853  252.7597       17.70488  192.1045 7.259301 157.6065 5.524177 
34.49797       9.122169 
1 1 1 3   7  7  o 191.5127 3.900225 373.0349       15.18933  373.7436       
21.40004  372.3155       21.56279  191.6657 5.490587 191.2981 5.542976 
0.3676453      7.801995 
1 1 1 3   7  8  o 469.9327 4.833589 2246.295       46.19094  2287.559       
66.31767  2207.416       64.37344  474.1319 6.878260 465.7570 6.796666 
8.374969       9.669806 
1 1 1 3   7  9  o 364.0903 4.422230 1348.316       32.74175  1336.589       
46.11412  1360.237       46.49589  362.4399 6.256716 365.6324 6.253433 
-3.192444      8.846011 
1 1 1 3   7  10 o 564.9990 6.421776 3248.741       73.78265  3373.602       
130.6373  3190.256       89.40811  575.2206 11.16815 559.7630 7.854550 
15.45758       13.65363 
1 1 1 3   7  11 o 311.1337 5.259011 985.0805       33.27382  1008.042       
41.29059  942.5523       56.19376  314.6738 6.452663 304.0961 9.087111 
10.57776       11.14506 
1 1 1 3   7  12 o 175.7331 6.233866 314.5080       22.27730  305.7505       
37.87896  319.1387       27.54449  172.6511 10.84398 176.9495 7.654804 
-4.298340      13.27358 
1 1 1 3   7  13 o 380.4987 4.818720 1474.023       37.28519  1553.819       
54.57634  1404.184       51.05777  390.3942 6.874635 371.1365 6.765140 
19.25769       9.645087 
1 1 1 3   7  14 o 299.2833 4.670218 912.1788       28.42308  947.5234       
41.39305  880.6454       39.09768  304.7724 6.678830 293.8391 6.543197 
10.93326       9.349876 
1 1 1 3   7  15 o 292.1364 4.777730 869.4957       28.38302  828.3806       
39.62217  912.8311       40.67796  284.8451 6.840346 299.0391 6.689286 
-14.19403      9.567491 
1 1 1 3   7  16 o 106.0917 7.999496 115.8411       17.13124  87.32661       
24.16673  144.6428       24.28818  90.89414 13.48346 118.2102 10.20389 
-27.31610      16.90926 
1 1 1 3   7  17 f 155.7633 7.202694 248.2441       22.81454  236.3826       
28.34395  270.0695       38.44799  151.4160 9.249645 161.2076 11.81055 
-9.791641      15.00150 
1 1 1 3   7  18 o 71.48628 13.39240 54.83323       18.75309  48.97474       
26.52166  60.69103       26.52009  66.82495 18.75225 74.26837 17.79334 
-7.443420      25.85053 
1 1 1 3   7  19 o 150.1896 7.384003 231.3217       22.55190  208.9988       
31.89582  253.6373       31.89058  141.5717 11.16987 156.3846 10.08178 
-14.81291      15.04687 
1 1 1 3   7  20 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   7  21 o 38.98778 16.29902 5.905722       21.61223  20.90322       
41.04710  0.1533009      25.42134  54.98900 22.67948 39.31240 17.08252 
15.67660       28.39315 
1 1 1 3   7  22 o 77.25986 13.20648 66.65859       20.00336  50.72803       
24.30746  100.0815       35.20841  65.10710 17.83379 90.70067 19.65654 
-25.59357      26.54098 
1 1 1 3   8  0  o 781.0501 6.702418 6208.189       106.4540  6263.285       
215.4630  6190.396       122.4423  783.4408 13.52431 779.8167 7.721246 
3.624084       15.57320 
1 1 1 3   8  1  o 256.2045 3.212219 667.5736       16.73568  699.5158       
24.19691  638.2802       23.17199  262.2310 4.537581 250.4900 4.549058 
11.74098       6.425229 
1 1 1 3   8  2  o 243.8557 6.324302 605.3329       31.36151  0.000000       
0.000000  605.3329       31.36151  ?        ?        243.8557 6.324302 
0.000000       6.324302 
1 1 1 3   8  3  o 148.0065 3.720897 222.8414       11.19902  233.8554       
14.14000  204.3052       18.34374  151.6007 4.586664 141.6502 6.368239 
9.950500       7.848054 
1 1 1 3   8  4  o 415.2463 4.908585 1754.766       41.44895  1737.971       
50.55758  1789.196       72.38754  413.1620 6.017478 418.9286 8.497133 
-5.766602      10.41208 
1 1 1 3   8  5  o 344.2474 3.959922 1205.521       27.72099  1273.156       
40.34123  1145.012       38.15672  353.6857 5.608932 335.4153 5.594183 
18.27042       7.921805 
1 1 1 3   8  6  o 774.1328 7.844628 6102.537       123.4921  6083.857       
213.5276  6111.925       151.3766  771.7749 13.60542 774.4342 9.612202 
-2.659302      16.65839 
1 1 1 3   8  7  o 354.7368 4.168943 1279.917       30.07347  1334.242       
43.38400  1229.668       41.72511  362.1252 5.891414 347.6441 5.902164 
14.48108       8.339322 
1 1 1 3   8  8  o 733.9816 6.567914 5481.694       98.03114  5450.537       
137.9980  5513.435       139.2849  731.6222 9.275437 735.8276 9.308433 
-4.205383      13.14080 
1 1 1 3   8  9  o 233.2873 4.279957 553.5414       20.30402  572.8691       
28.98121  534.9098       28.45446  237.2864 6.006097 229.2877 6.102648 
7.998734       8.562448 
1 1 1 3   8  10 o 337.2058 4.545255 1156.695       31.16770  1203.125       
45.00232  1113.894       43.20797  343.8243 6.436457 330.8295 6.422562 
12.99484       9.092705 
1 1 1 3   8  11 o 456.2180 5.819687 2118.463       53.99126  2098.981       
65.66690  2159.113       94.85461  453.9981 7.112808 460.0847 10.13840 
-6.086609      12.38463 
1 1 1 3   8  12 o 230.1677 5.630219 539.3951       26.35245  477.3782       
43.39965  575.6145       33.16669  216.2243 9.870299 237.6906 6.861811 
-21.46623      12.02112 
1 1 1 3   8  13 o 298.3294 4.730440 906.1232       28.69783  906.0026       
39.95840  906.2517       41.24173  298.1244 6.591120 298.1405 6.802437 
-0.1611328E-01 9.471853 
1 1 1 3   8  14 o 186.5453 5.121861 354.5256       19.42958  349.6266       
27.34124  359.5236       27.61599  185.0673 7.265024 187.6714 7.236209 
-2.604050      10.25394 
1 1 1 3   8  15 o 105.5397 7.966532 114.5389       16.97166  139.5193       
24.52740  91.59150       23.50813  116.1034 10.50225 93.41441 12.70481 
22.68895       16.48361 
1 1 1 3   8  16 o 207.3087 5.460467 438.3550       23.01966  421.2211       
32.91377  454.7612       32.20716  202.8547 7.978865 210.8566 7.511276 
-8.001907      10.95817 
1 1 1 3   8  17 o 51.41138 16.12576 27.59859       18.76320  31.23956       
24.13188  22.03242       29.83735  55.37370 18.36926 52.70802 20.07874 
2.665680       27.21370 
1 1 1 3   8  18 o 158.6398 6.855201 257.5402       22.11484  232.0515       
31.94624  280.9940       30.64457  149.5691 10.57140 165.0432 9.166799 
-15.47409      13.99231 
1 1 1 3   8  19 o 156.1615 7.182514 250.0168       22.80877  205.5361       
31.90693  296.5015       32.61775  140.3213 11.27700 169.2787 9.514032 
-28.95746      14.75424 
1 1 1 3   8  20 o 91.22147 11.35446 88.16918       20.60691  84.31914       
30.76879  91.30073       27.74966  86.70609 18.03800 91.35561 15.49070 
-4.649529      23.77669 
1 1 1 3   8  21 o 54.39406 17.20304 33.04329       21.31192  -2.062904      
39.94004  47.01792       25.19920  47.27615 20.94598 63.72582 18.41133 
-16.44967      27.88747 
1 1 1 3   8  22 o 31.45610 14.75680 -19.01434      23.87540  -19.01434      
23.87540  0.000000       0.000000  31.45610 14.75680 ?        ?        
0.000000       14.75680 
1 1 1 3   9  0  o 579.6508 5.219248 3418.377       61.52134  3594.940       
129.3536  3366.763       69.93775  593.8492 10.71151 575.2031 5.979144 
18.64612       12.26730 
1 1 1 3   9  1  o 399.3948 4.012735 1622.595       32.59074  1609.344       
45.87397  1636.099       46.30966  397.6765 5.672637 400.9681 5.679502 
-3.291595      8.027176 
1 1 1 3   9  2  o 278.2784 6.646623 788.5001       37.61248  0.000000       
0.000000  788.5001       37.61248  ?        ?        278.2784 6.646623 
0.000000       6.646623 
1 1 1 3   9  3  o 160.7869 3.233041 262.9613       10.57094  246.5451       
12.17344  313.2911       21.31522  155.6747 3.845423 175.4183 5.975350 
-19.74365      7.105778 
1 1 1 3   9  4  o 253.1209 4.007289 651.8249       20.62672  661.4524       
25.63006  634.1264       34.75056  254.9445 4.943706 249.5210 6.848624 
5.423523       8.446530 
1 1 1 3   9  5  o 40.86747 9.354696 17.70803       7.606388  20.00724       
10.74397  15.39758       10.77019  43.56042 11.82532 39.03290 12.21321 
4.527519       17.00002 
1 1 1 3   9  6  o 372.3411 4.832083 1410.412       36.58701  1340.602       
61.55790  1448.542       45.49459  362.8089 8.343618 377.2874 5.929745 
-14.47855      10.23610 
1 1 1 3   9  7  o 320.4318 4.047264 1044.309       26.37233  1098.891       
38.28137  995.0062       36.38321  328.6472 5.728042 312.7274 5.721155 
15.91980       8.095805 
1 1 1 3   9  8  o 706.0110 6.378069 5071.680       91.56977  5004.626       
128.0884  5141.771       130.9577  701.0841 8.984385 710.6166 9.062419 
-9.532532      12.76114 
1 1 1 3   9  9  o 543.8466 5.360113 3008.929       59.27912  2961.804       
82.78935  3058.507       84.91782  539.4261 7.547291 548.1559 7.618042 
-8.729858      10.72363 
1 1 1 3   9  10 o 187.2877 4.962527 356.8604       18.90008  369.5361       
26.66646  344.0657       26.79147  190.5326 6.882474 183.8403 7.166457 
6.692322       9.936124 
1 1 1 3   9  11 o 533.3293 7.693559 2897.653       83.43999  2897.653       
83.43999  0.000000       0.000000  533.3293 7.693559 ?        ?        
0.000000       7.693559 
1 1 1 3   9  12 f 260.8313 5.496510 692.6871       29.15400  652.8087       
48.46981  715.2932       36.49349  252.8754 9.425694 264.9590 6.773065 
-12.08363      11.60681 
1 1 1 3   9  13 o 214.2429 4.933969 467.3933       21.49583  463.4398       
30.20564  471.4502       30.59755  213.1768 6.967814 215.0085 6.998090 
-1.831680      9.875409 
1 1 1 3   9  14 o 272.0708 4.768702 753.9658       26.38356  784.9446       
37.72892  724.3195       36.90859  277.3674 6.689098 266.4238 6.812445 
10.94360       9.547431 
1 1 1 3   9  15 o 223.7740 5.062521 510.3519       23.03711  495.6543       
31.84555  526.4869       33.36643  220.2751 7.109384 227.0051 7.228076 
-6.730042      10.13846 
1 1 1 3   9  16 o 125.4203 7.227236 161.3718       18.35476  149.2785       
25.32111  174.7623       26.64455  120.0139 10.48042 129.9938 10.16017 
-9.979904      14.59685 
1 1 1 3   9  17 o 340.7669 5.906953 1185.901       40.93289  1176.752       
50.70049  1203.027       69.36874  339.0406 7.353752 341.8295 9.979365 
-2.788818      12.39618 
1 1 1 3   9  18 o 156.7705 7.074157 251.6435       22.55228  249.5347       
32.53829  253.5931       31.28603  155.1620 10.37211 156.5624 9.877420 
-1.400421      14.32285 
1 1 1 3   9  19 o 252.2910 13.02020 666.9800       66.57140  0.000000       
0.000000  666.9800       66.57140  ?        ?        252.2910 13.02020 
0.000000       13.02020 
1 1 1 3   9  20 o 97.89404 13.94643 103.3911       26.97834  101.4108       
31.05893  109.4772       54.44859  95.87220 16.52782 94.65172 26.97711 
1.220482       31.63753 
1 1 1 3   9  21 o 49.31185 17.68095 24.79510       22.52281  10.32155       
42.05363  30.61648       26.67036  51.71304 22.21877 53.86546 19.24794 
-2.152420      29.39654 
1 1 1 3   9  22 f 49.39573 16.84898 27.32685       20.29601  30.43858       
24.77409  20.97581       35.39309  52.14024 18.55959 50.96280 21.04323 
1.177441       28.05844 
1 1 1 3   10 0  o 292.7244 3.358538 871.4977       19.99220  971.0483       
43.88406  845.4256       22.45808  308.8411 6.987475 288.2998 3.830688 
20.54126       7.968625 
1 1 1 3   10 1  o 173.6800 2.953475 306.7856       10.43121  341.1133       
15.27300  276.7729       14.28084  183.1171 4.101514 164.9426 4.257644 
18.17447       5.911849 
1 1 1 3   10 2  o 504.3268 5.460137 2588.807       55.99729  2649.410       
70.01093  2481.192       93.29493  510.0549 6.749903 493.2432 9.301341 
16.81171       11.49244 
1 1 1 3   10 3  o 197.8970 3.250312 398.3594       13.08024  387.6509       
15.13594  429.9460       25.99539  195.2042 3.813018 205.4830 6.221126 
-10.27873      7.296678 
1 1 1 3   10 4  o 289.3963 4.170897 852.0610       24.54561  833.6199       
29.91523  890.0543       42.93903  286.2025 5.140052 295.6048 7.143143 
-9.402344      8.800263 
1 1 1 3   10 5  o 115.8303 4.193431 136.4857       9.877415  138.9030       
13.75517  133.9122       14.19265  116.8246 5.790022 114.5374 6.115587 
2.287186       8.421684 
1 1 1 3   10 6  o 378.2990 4.883583 1455.904       37.56861  1454.624       
65.15038  1456.541       45.98388  377.9218 8.477418 378.3295 5.977009 
-0.4076843     10.37262 
1 1 1 3   10 7  o 106.0054 5.245401 114.3147       11.30728  121.1946       
15.87217  107.2250       16.11236  108.8856 7.209062 102.3370 7.801157 
6.548569       10.62208 
1 1 1 3   10 8  o 281.5311 5.785169 806.3635       33.12027  806.3635       
33.12027  0.000000       0.000000  281.5311 5.785169 ?        ?        
0.000000       5.785169 
1 1 1 3   10 9  o 221.8609 4.448250 500.6724       20.06879  484.8518       
28.03382  517.3031       28.74257  218.2839 6.315522 225.4718 6.268765 
-7.187927      8.898496 
1 1 1 3   10 10 o 283.3964 4.531697 817.0267       26.11600  840.7202       
37.04289  793.6108       36.82526  287.4046 6.338109 279.2296 6.485344 
8.175079       9.068149 
1 1 1 3   10 11 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   10 12 o 303.8982 9.251680 942.8704       57.17421  942.8704       
57.17421  0.000000       0.000000  303.8982 9.251680 ?        ?        
0.000000       9.251680 
1 1 1 3   10 13 o 112.0579 7.290089 128.6456       16.52180  112.9209       
22.99246  145.4335       23.75698  104.4179 10.99343 118.8176 9.923202 
-14.39975      14.80964 
1 1 1 3   10 14 o 172.6529 5.608758 303.8540       19.69209  298.1707       
27.58444  309.7605       28.12097  170.8145 7.941233 174.1024 7.942807 
-3.287903      11.23171 
1 1 1 3   10 15 o 234.3584 5.000508 559.7760       23.83121  536.7767       
32.83684  585.3710       34.64025  229.2257 7.044442 239.3653 7.116534 
-10.13954      10.01345 
1 1 1 3   10 16 o 27.13943 12.48935 -11.70918      15.87345  1.673766       
22.22587  -25.64198      22.67786  38.57991 16.35045 29.84884 14.11936 
8.731071       21.60309 
1 1 1 3   10 17 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   10 18 o 55.88386 19.56023 30.59393       27.42298  19.09674       
33.82784  52.63329       46.83579  53.17620 21.05968 71.85001 25.52474 
-18.67380      33.09113 
1 1 1 3   10 19 o 37.80555 15.56645 5.688804       19.29748  46.86522       
27.46405  -34.46451      27.12070  65.15631 19.33317 31.48362 15.04683 
33.67269       24.49854 
1 1 1 3   10 20 o 102.7129 10.07666 110.7557       20.77612  107.4371       
30.53990  113.6147       28.34630  99.00884 15.69176 102.6187 13.94488 
-3.609894      20.99264 
1 1 1 3   10 21 o 100.0661 9.857244 106.0593       19.79783  104.4850       
29.14515  107.4080       26.97710  96.69607 15.33365 98.88747 13.79069 
-2.191406      20.62290 
1 1 1 3   10 22 f 38.28531 15.76872 8.735556       19.80958  4.513673       
23.84543  18.13901       35.58736  38.97762 16.73849 49.84729 20.88312 
-10.86967      26.76344 
1 1 1 3   11 0  o 362.0498 4.375521 1333.543       32.21436  1387.975       
58.24514  1309.554       38.66682  369.1379 7.759248 358.7305 5.300523 
10.40741       9.396886 
1 1 1 3   11 1  o 170.1872 5.644547 294.8092       19.53473  0.000000       
0.000000  294.8092       19.53473  ?        ?        170.1872 5.644547 
0.000000       5.644547 
1 1 1 3   11 2  o 220.0272 3.178961 492.4243       14.22372  460.7255       
19.52398  528.2775       20.76398  212.7865 4.512041 227.8538 4.481288 
-15.06731      6.359281 
1 1 1 3   11 3  o 517.5945 4.874728 2726.442       51.30875  2693.955       
58.80655  2830.032       105.0089  514.4242 5.621509 526.6058 9.805938 
-12.18158      11.30300 
1 1 1 3   11 4  o 111.5847 4.430743 126.6816       10.05385  118.6618       
12.45872  141.6546       17.02347  107.8215 5.702476 117.7179 7.145188 
-9.896416      9.141769 
1 1 1 3   11 5  o 335.5615 5.534111 1145.856       37.76342  1145.856       
37.76342  0.000000       0.000000  335.5615 5.534111 ?        ?        
0.000000       5.534111 
1 1 1 3   11 6  o 264.3528 4.451962 710.8553       23.93243  687.5890       
40.92249  722.9491       29.50394  259.8744 7.743676 266.5629 5.442882 
-6.688507      9.465172 
1 1 1 3   11 7  o 381.4528 4.349792 1479.978       33.74121  1509.504       
48.07117  1451.306       47.37111  385.1721 6.137315 377.6728 6.168029 
7.499298       8.701219 
1 1 1 3   11 8  o 382.7555 4.425667 1490.109       34.44702  1537.230       
49.52143  1445.935       47.94756  388.6914 6.265228 376.9730 6.254676 
11.71838       8.852912 
1 1 1 3   11 9  o 472.9910 7.058902 2277.088       67.89557  2277.088       
67.89557  0.000000       0.000000  472.9910 7.058902 ?        ?        
0.000000       7.058902 
1 1 1 3   11 10 o 74.05473 10.20307 56.96229       14.95712  57.35633       
20.96850  56.55411       21.34155  73.63275 14.51976 73.05608 14.87104 
0.5766754      20.78392 
1 1 1 3   11 11 o 348.1684 6.649659 1234.526       47.08041  1234.526       
47.08041  0.000000       0.000000  348.1684 6.649659 ?        ?        
0.000000       6.649659 
1 1 1 3   11 12 o 475.0660 5.983761 2298.873       57.80690  2324.351       
100.4589  2286.260       70.68133  476.8314 10.36030 473.5451 7.339930 
3.286224       12.69687 
1 1 1 3   11 13 o 364.6432 4.838810 1354.056       35.88047  1394.357       
51.01634  1314.608       50.47330  369.7509 6.784981 359.0003 6.913777 
10.75058       9.686913 
1 1 1 3   11 14 o 59.50230 14.66312 38.07195       17.62787  28.34696       
20.60597  64.61189       34.04072  52.73808 16.94094 77.04359 21.10483 
-24.30551      27.06306 
1 1 1 3   11 15 o 113.6287 8.997298 133.1286       20.61986  144.2808       
24.79905  108.1478       37.11559  118.0470 10.43825 99.88287 18.96680 
18.16418       21.64940 
1 1 1 3   11 16 o 160.8132 6.189865 264.1031       20.24204  264.6269       
28.16665  263.5435       29.10977  160.4073 8.667111 160.0102 8.982551 
0.3970490      12.48219 
1 1 1 3   11 17 o 330.2760 5.235750 1113.148       35.16473  1069.558       
47.95710  1163.838       51.71628  323.1933 7.296913 337.0551 7.545272 
-13.86185      10.49648 
1 1 1 3   11 18 o 142.1320 8.559048 208.3347       24.62286  216.6095       
40.72671  203.5674       30.91233  143.2286 14.16875 139.8640 10.95621 
3.364609       17.91067 
1 1 1 3   11 19 o 47.54363 16.38446 22.34448       19.20528  26.36622       
27.34414  18.42907       26.98026  53.22546 19.42562 49.02805 18.98608 
4.197411       27.16295 
1 1 1 3   11 20 o 98.85105 10.41833 102.9823       20.62722  110.7729       
29.54511  95.57380       28.81131  100.8289 14.85460 93.13618 15.77539 
7.692703       21.66846 
1 1 1 3   11 21 o 44.95348 16.14631 20.23577       18.79045  -0.5135369     
27.75929  37.78365       25.52811  40.34623 17.68405 57.53272 18.88398 
-17.18649      25.87142 
1 1 1 3   11 22 o 52.61240 18.67509 31.64312       25.06652  1.793035       
34.28630  65.91766       36.73954  43.81469 19.40991 70.81667 22.60740 
-27.00198      29.79663 
1 1 1 3   12 0  o 288.3853 3.911728 846.0465       22.93999  856.0126       
41.12918  841.5461       27.63834  289.9140 6.976369 287.5828 4.726043 
2.331207       8.426459 
1 1 1 3   12 1  o 131.1670 3.358263 175.0056       8.957582  177.3118       
11.26665  171.0432       14.76833  132.0129 4.196882 129.6254 5.602604 
2.387558       7.000214 
1 1 1 3   12 2  o 118.3419 3.272848 142.4560       7.876182  144.9262       
11.10968  139.9600       11.16775  119.3396 4.577896 117.2748 4.682843 
2.064781       6.548751 
1 1 1 3   12 3  o 124.7126 3.499004 158.2127       8.873730  149.8597       
10.36768  181.0939       17.15937  121.3635 4.200897 133.3569 6.327532 
-11.99339      7.595078 
1 1 1 3   12 4  o 200.5829 3.454782 409.2377       14.09179  397.0791       
16.30057  445.2044       28.03565  197.5665 4.057309 209.1060 6.593145 
-11.53958      7.741532 
1 1 1 3   12 5  o 169.6847 3.730765 292.8634       12.87337  281.8566       
17.87936  304.7121       18.55056  166.4351 5.282698 173.0519 5.271439 
-6.616791      7.462906 
1 1 1 3   12 6  o 235.0175 4.444739 561.8303       21.24212  582.3276       
37.73884  552.3246       25.69992  239.1629 7.759671 232.9968 5.424132 
6.166061       9.467508 
1 1 1 3   12 7  o 31.65201 11.86574 7.527324       10.32337  -5.515266      
14.12902  22.46408       15.12022  27.87310 12.39842 46.95252 14.43500 
-19.07941      19.02867 
1 1 1 3   12 8  o 377.4747 4.427643 1449.291       33.98692  1465.725       
48.10196  1432.908       48.02766  379.5409 6.232364 375.2652 6.293637 
4.275635       8.857327 
1 1 1 3   12 9  o 490.9793 5.885836 2452.906       58.76554  2504.742       
101.5980  2426.844       72.03915  495.7730 10.07745 488.2668 7.255376 
7.506226       12.41755 
1 1 1 3   12 10 o 145.4230 7.113711 215.3356       21.03686  220.0230       
24.24989  201.0793       42.29095  146.7379 8.158961 139.3633 15.16762 
7.374573       17.22281 
1 1 1 3   12 11 o 140.7847 8.749462 202.9025       24.92492  202.9025       
24.92492  0.000000       0.000000  140.7847 8.749462 ?        ?        
0.000000       8.749462 
1 1 1 3   12 12 o 292.1956 6.803325 870.2557       40.42465  873.1331       
55.43812  866.9887       59.07302  292.3599 9.324793 291.2318 9.974680 
1.128113       13.65452 
1 1 1 3   12 13 o 233.8429 4.921254 556.9371       23.40191  580.6495       
33.43265  534.1583       32.76796  238.5750 6.891195 228.8078 7.042503 
9.767136       9.853193 
1 1 1 3   12 14 o 350.8419 4.830782 1254.066       34.46517  1277.248       
49.14787  1231.635       48.34427  353.7136 6.832845 347.3378 6.844498 
6.375793       9.671345 
1 1 1 3   12 15 o 202.6779 5.345797 418.8811       22.03283  391.1182       
30.36375  449.7563       32.02048  195.5526 7.635550 209.7203 7.508203 
-14.16765      10.70863 
1 1 1 3   12 16 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   12 17 o 127.8474 7.804971 168.1783       20.19433  194.9855       
28.18598  139.9031       28.94742  137.1542 10.17844 115.4378 12.53267 
21.71639       16.14523 
1 1 1 3   12 18 o 39.37373 16.33152 5.245424       21.45701  43.26228       
37.24343  -13.64273      26.25164  65.20464 22.79665 36.15888 16.41883 
29.04576       28.09387 
1 1 1 3   12 19 o 36.01789 15.66941 -2.054725      21.43966  -55.67390      
33.65554  34.56519       27.81347  32.57101 15.85527 57.78932 19.72397 
-25.21830      25.30661 
1 1 1 3   12 20 o 55.14039 17.62532 33.23867       22.32549  2.862197       
37.54965  49.84829       27.76624  48.08725 20.82824 66.05827 19.39617 
-17.97102      28.46097 
1 1 1 3   12 21 o 43.28148 15.85124 18.15421       18.22972  -7.062438      
27.21907  38.66570       24.54868  37.72816 16.96319 57.84449 18.48127 
-20.11633      25.08599 
1 1 1 3   13 0  o 140.5954 4.080929 201.1114       11.66760  195.0683       
18.51992  205.0885       15.02410  138.3974 6.580513 141.9508 5.204740 
-3.553421      8.390021 
1 1 1 3   13 1  o 299.6831 3.954592 913.7229       24.09991  916.3762       
29.82135  908.7278       40.91760  300.0690 4.887139 298.6873 6.736618 
1.381683       8.322629 
1 1 1 3   13 2  o 518.5974 4.849403 2737.062       51.14109  2662.308       
70.72776  2818.970       74.03433  511.2370 6.803246 526.0471 6.920814 
-14.81006      9.704732 
1 1 1 3   13 3  o 221.2951 3.842823 498.1872       17.29313  467.6380       
21.00067  562.5349       30.47895  214.3707 4.817438 235.0450 6.376722 
-20.67427      7.991889 
1 1 1 3   13 4  o 637.2519 5.747786 4133.136       74.48403  4120.638       
85.92557  4170.914       149.3923  636.1807 6.641872 639.1967 11.49323 
-3.016052      13.27437 
1 1 1 3   13 5  o 129.4014 4.165297 170.3292       10.96065  193.3471       
15.43931  146.9415       15.56284  137.8454 5.507874 119.9835 6.401592 
17.86196       8.444943 
1 1 1 3   13 6  o 400.0475 5.073343 1628.074       41.27216  1661.719       
72.54034  1611.969       50.18690  403.9431 8.830960 398.0119 6.200731 
5.931213       10.79050 
1 1 1 3   13 7  o 713.7950 7.424100 5185.731       107.7628  5159.403       
130.9005  5241.099       189.8266  711.8057 9.043328 716.8392 13.02219 
-5.033569      15.85431 
1 1 1 3   13 8  o 602.4011 6.616811 3692.847       81.05613  3800.850       
100.9812  3497.213       135.9083  611.0148 8.127135 585.7374 11.41016 
25.27740       14.00864 
1 1 1 3   13 9  o 264.0318 5.147184 709.2598       27.63614  658.3354       
44.07082  742.2631       35.47866  254.2382 8.524303 270.0563 6.460429 
-15.81818      10.69584 
1 1 1 3   13 10 o 49.79632 14.00924 26.04522       14.78254  24.43000       
20.59614  27.76132       21.22959  50.46517 16.97426 52.93271 17.21345 
-2.467537      24.17496 
1 1 1 3   13 11 o 227.1360 5.869794 525.3162       27.11193  514.5457       
31.93331  553.1262       51.31285  224.7279 6.987721 232.6658 10.84531 
-7.937927      12.90152 
1 1 1 3   13 12 o 51.97001 15.60402 28.12071       17.81272  95.39421       
31.70031  -2.921895      21.53379  94.68822 17.09221 36.33614 15.75562 
58.35209       23.24614 
1 1 1 3   13 13 f 187.4608 5.254237 358.0349       20.02956  359.4328       
28.16633  356.6048       28.48858  187.6409 7.381613 186.8896 7.496082 
0.7513123      10.52043 
1 1 1 3   13 14 o 109.8325 7.464993 123.8307       16.57396  129.4345       
23.32102  118.1119       23.55904  111.8212 10.37400 106.6479 11.02211 
5.173332       15.13627 
1 1 1 3   13 15 o 278.3324 5.685297 790.3547       32.17868  863.3267       
56.83485  755.9267       39.03842  289.9791 9.638214 271.9535 7.059048 
18.02563       11.94677 
1 1 1 3   13 16 o 123.2373 7.713561 156.1468       19.23340  118.6169       
26.66546  196.8452       27.76830  106.2818 12.58205 137.9530 9.965496 
-31.67120      16.05052 
1 1 1 3   13 17 o 101.1683 10.74509 106.8776       21.76740  47.39342       
35.11983  143.9831       27.73776  66.93250 22.15804 117.3067 11.78728 
-50.37424      25.09818 
1 1 1 3   13 18 o 156.8376 8.518694 253.6490       27.06715  274.6998       
45.18936  241.8712       33.80140  161.4148 13.90270 152.4384 10.97756 
8.976349       17.71417 
1 1 1 3   13 19 o 86.14648 11.38442 78.57068       19.45486  67.26302       
27.18390  90.44357       27.85503  77.64362 17.62054 91.09388 15.59803 
-13.45026      23.53257 
1 1 1 3   13 20 o 166.9916 10.35491 292.6320       34.99010  292.6320       
34.99010  0.000000       0.000000  166.9916 10.35491 ?        ?        
0.000000       10.35491 
1 1 1 3   13 21 o 57.71098 15.41284 38.28723       18.42960  38.11759       
27.12631  38.43266       25.11637  57.52475 19.47955 57.54623 18.72346 
-0.2148056E-01 27.01890 
1 1 1 3   14 0  o 344.6884 5.208055 1209.343       36.50512  1198.766       
53.06545  1218.845       50.29773  342.9655 7.608692 345.8728 7.151226 
-2.907349      10.44185 
1 1 1 3   14 1  o 228.8428 3.161648 532.6857       14.71303  512.6983       
20.46890  554.0521       21.16320  224.4626 4.484346 233.3406 4.460048 
-8.877975      6.324665 
1 1 1 3   14 2  o 348.1741 3.795357 1233.254       26.87203  1165.934       
36.57415  1312.225       39.61309  338.4488 5.314103 359.0461 5.425467 
-20.59738      7.594430 
1 1 1 3   14 3  o 249.9422 4.889249 635.6950       24.85039  635.6950       
24.85039  0.000000       0.000000  249.9422 4.889249 ?        ?        
0.000000       4.889249 
1 1 1 3   14 4  o 233.9987 4.102420 557.0009       19.52113  557.0009       
19.52113  0.000000       0.000000  233.9987 4.102420 ?        ?        
0.000000       4.102420 
1 1 1 3   14 5  o 433.2871 5.203570 1910.090       45.84887  1897.192       
55.46393  1937.922       81.47624  431.7558 6.317148 436.1343 9.186694 
-4.378571      11.14907 
1 1 1 3   14 6  o 313.2126 4.713446 997.9117       30.02128  995.5034       
52.26569  999.0975       36.67498  312.6932 8.219527 313.3646 5.755307 
-0.6713867     10.03415 
1 1 1 3   14 7  o 568.1608 7.668550 3285.810       88.60046  3285.810       
88.60046  0.000000       0.000000  568.1608 7.668550 ?        ?        
0.000000       7.668550 
1 1 1 3   14 8  o 610.4535 8.186513 3794.202       101.6256  0.000000       
0.000000  3794.202       101.6256  ?        ?        610.4535 8.186513 
0.000000       8.186513 
1 1 1 3   14 9  o 440.6165 5.630066 1975.563       50.44588  2200.336       
91.65203  1877.874       60.42170  464.6414 9.700024 429.4968 6.918016 
35.14459       11.91425 
1 1 1 3   14 10 o 279.3153 4.622709 793.8112       26.25686  760.6964       
36.13307  830.8624       38.22041  273.3331 6.500715 285.6563 6.579609 
-12.32315      9.249354 
1 1 1 3   14 11 o 50.89536 16.30181 26.04931       19.09101  25.57371       
21.88873  27.56121       39.02675  51.65088 17.49818 60.52767 22.98591 
-8.876793      28.88838 
1 1 1 3   14 12 o 290.2435 4.744413 857.7124       28.00248  856.2488       
39.30966  859.2202       39.89990  289.8020 6.670318 290.2939 6.759001 
-0.4919128     9.496169 
1 1 1 3   14 13 o 137.1913 6.275105 191.9559       17.50649  217.0405       
25.13960  168.3390       24.39310  145.4454 8.537189 127.8867 9.446590 
17.55866       12.73270 
1 1 1 3   14 14 o 167.1924 6.556983 285.3672       22.29318  338.2286       
40.20861  261.9053       26.78745  181.0455 10.97325 159.7723 8.273119 
21.27328       13.74251 
1 1 1 3   14 15 o 56.52908 17.42805 33.67011       22.02293  0.000000       
0.000000  33.67011       22.02293  ?        ?        56.52908 17.42805 
0.000000       17.42805 
1 1 1 3   14 16 o 165.5138 6.241564 279.9290       21.00773  316.1157       
29.97328  244.9890       29.45241  175.5349 8.396905 154.0690 9.446164 
21.46593       12.63875 
1 1 1 3   14 17 o 125.3963 8.006392 161.9962       20.30957  112.1256       
27.84896  218.6509       29.68280  102.8112 13.65844 145.2382 10.11326 
-42.42696      16.99503 
1 1 1 3   14 18 o 198.3327 7.374131 403.4637       29.74108  425.1190       
50.54649  391.9966       36.78200  201.6438 12.38688 195.0008 9.275719 
6.643051       15.47494 
1 1 1 3   14 19 o 42.80751 16.20318 15.00803       19.35263  42.59597       
27.53860  -11.90967      27.20202  62.21124 19.53981 37.16351 16.81014 
25.04773       25.77566 
1 1 1 3   14 20 o 41.44667 16.11069 13.26010       19.48361  8.148652       
28.03507  18.03514       27.09684  44.23102 18.53299 48.00469 18.90006 
-3.773670      26.47044 
1 1 1 3   14 21 o 35.16364 14.61615 5.596298       17.23844  11.46140       
25.40951  0.5948676      23.46420  43.16843 17.82783 37.51507 16.35542 
5.653358       24.19362 
1 1 1 3   15 0  o 529.9068 9.951740 2866.647       107.2383  2866.647       
107.2383  0.000000       0.000000  529.9068 9.951740 ?        ?        
0.000000       9.951740 
1 1 1 3   15 1  o 45.81276 7.665949 21.96693       6.889398  0.000000       
0.000000  21.96693       6.889398  ?        ?        45.81276 7.665949 
0.000000       7.665949 
1 1 1 3   15 2  o 147.6497 3.194829 221.7404       9.592499  260.4570       
14.00997  187.5715       13.16144  159.9978 4.305978 135.7679 4.767108 
24.22989       6.423922 
1 1 1 3   15 3  o 378.1489 4.637936 1454.934       35.66473  1443.418       
43.78719  1477.633       61.47381  376.5826 5.717885 380.8369 7.937792 
-4.254333      9.782779 
1 1 1 3   15 4  o 357.7973 3.988242 1302.209       29.01816  1315.408       
33.94220  1266.360       55.93914  359.5787 4.641887 352.6252 7.801012 
6.953491       9.077604 
1 1 1 3   15 5  o 221.6037 4.278471 499.5227       19.28045  499.5227       
19.28045  0.000000       0.000000  221.6037 4.278471 ?        ?        
0.000000       4.278471 
1 1 1 3   15 6  o 841.5656 8.464380 7211.185       144.8553  7205.483       
251.1392  7214.027       177.3253  840.0460 14.70144 841.4371 10.36329 
-1.391052      17.98695 
1 1 1 3   15 7  o 898.5159 7.768769 8218.227       141.9480  8124.767       
198.7103  8315.614       202.8432  892.8813 10.94398 903.2883 11.04289 
-10.40692      15.54722 
1 1 1 3   15 8  o 447.7284 4.846701 2039.262       44.12780  2021.595       
61.74339  2057.709       63.09068  445.6733 6.812749 449.6307 6.900139 
-3.957367      9.696673 
1 1 1 3   15 9  o 139.0723 6.645166 196.8906       18.79307  183.9522       
30.17775  205.0869       24.01904  133.8142 11.19283 141.6408 8.376277 
-7.826584      13.98004 
1 1 1 3   15 10 o 535.2692 5.474404 2916.297       59.58824  2973.809       
85.30675  2861.497       83.27112  540.2285 7.765232 529.9346 7.727175 
10.29395       10.95482 
1 1 1 3   15 11 o 97.46870 13.59022 99.29411       26.20379  128.8167       
34.56050  59.37338       40.18854  110.8149 15.78261 75.54707 23.58471 
35.26783       28.37832 
1 1 1 3   15 12 o 284.2005 5.577858 822.9062       32.23619  854.7019       
57.10532  808.0352       39.05380  289.0451 9.715375 281.4796 6.822835 
7.565460       11.87180 
1 1 1 3   15 13 o 99.95586 8.090120 102.7900       16.30325  97.25832       
22.66480  108.7211       23.46876  96.56300 11.78687 102.2324 11.48776 
-5.669365      16.45901 
1 1 1 3   15 14 o 265.2923 4.844946 717.2470       26.13756  724.7022       
36.88327  709.7261       37.04546  266.3696 6.809157 263.5849 6.911352 
2.784698       9.702134 
1 1 1 3   15 15 o 220.9450 5.978263 498.3740       26.86029  456.6549       
45.21157  521.1314       33.39214  210.3245 10.60495 225.7132 7.275047 
-15.38867      12.86045 
1 1 1 3   15 16 o 131.1908 7.030779 176.6407       18.68853  194.7322       
26.78154  159.4698       26.09113  137.2154 9.659648 123.9178 10.45154 
13.29761       14.23178 
1 1 1 3   15 17 o 74.96857 12.68047 60.00628       18.64216  70.42986       
26.57548  49.90802       26.15747  80.17815 16.83545 67.26220 18.53139 
12.91595       25.03687 
1 1 1 3   15 18 o 278.0580 6.405669 791.5441       36.22025  775.3855       
61.32320  800.2015       44.88639  273.3725 11.03109 279.0739 7.909409 
-5.701385      13.57364 
1 1 1 3   15 19 o 159.2029 7.124461 260.5052       23.06504  230.7104       
32.45017  290.9277       32.79028  148.4183 10.82640 167.2202 9.684295 
-18.80191      14.52571 
1 1 1 3   15 20 o 56.27069 15.79399 35.66596       18.81172  47.41021       
27.06281  24.68604       26.16736  64.04473 19.23438 50.75661 18.91812 
13.28812       26.97882 
1 1 1 3   15 21 o 86.89451 10.64315 81.54312       18.41360  102.7966       
27.87931  65.09792       24.52374  95.27113 14.87652 74.50378 16.61030 
20.76734       22.29828 
1 1 1 3   16 0  o 263.0880 6.936947 705.0829       37.11255  705.0829       
37.11255  0.000000       0.000000  263.0880 6.936947 ?        ?        
0.000000       6.936947 
1 1 1 3   16 1  f 175.6344 3.066075 313.7551       10.95075  313.8324       
15.40514  313.6761       15.56957  175.6264 4.313447 175.5813 4.360607 
0.4507446E-01  6.133573 
1 1 1 3   16 2  o 509.1628 4.800105 2637.987       49.70028  2641.006       
70.40670  2634.989       70.16752  509.2548 6.798724 508.6761 6.783336 
0.5786743      9.603972 
1 1 1 3   16 3  o 470.0680 4.596473 2248.084       43.93765  2229.462       
50.66956  2304.529       88.21706  468.0674 5.323378 475.4988 9.123296 
-7.431335      10.56281 
1 1 1 3   16 4  o 233.3222 4.080090 553.7552       19.35875  549.4346       
24.10828  561.5984       32.48164  232.3824 5.101660 234.8802 6.800488 
-2.497787      8.501387 
1 1 1 3   16 5  o 650.7045 6.812002 4309.459       90.13844  4309.459       
90.13844  0.000000       0.000000  650.7045 6.812002 ?        ?        
0.000000       6.812002 
1 1 1 3   16 6  o 397.6736 5.144183 1608.790       41.60011  1623.729       
72.89958  1601.576       50.65809  399.3047 8.977786 396.7307 6.279160 
2.573944       10.95575 
1 1 1 3   16 7  o 345.1622 4.292236 1211.794       30.12717  1253.970       
43.31077  1172.255       41.93502  351.0526 6.066977 339.4214 6.075560 
11.63123       8.586072 
1 1 1 3   16 8  o 191.1416 5.690082 371.7601       22.11695  375.9866       
39.57681  369.8407       26.67012  191.7956 10.18380 190.6140 6.880481 
1.181625       12.29027 
1 1 1 3   16 9  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   16 10 o 113.2274 7.386578 131.1858       16.91456  119.2093       
23.52007  144.0147       24.34273  107.4828 10.91220 118.3357 10.21599 
-10.85297      14.94800 
1 1 1 3   16 11 f 315.2160 5.533852 1011.916       35.47212  988.7954       
42.15189  1068.023       65.66374  311.4812 6.654780 323.2441 9.989496 
-11.76285      12.00317 
1 1 1 3   16 12 o 127.7301 6.754959 166.8739       17.48319  143.8391       
23.97820  193.0197       25.54614  118.1011 10.08070 137.0715 9.218471 
-18.97036      13.66018 
1 1 1 3   16 13 o 257.9692 4.835063 678.0123       25.36422  715.8832       
35.89937  640.2633       35.84156  264.8345 6.665932 250.4015 7.038799 
14.43304       9.694294 
1 1 1 3   16 14 o 207.8846 5.180701 440.6152       21.90092  400.7110       
30.17186  485.0554       31.84061  197.9510 7.495366 217.8401 7.187737 
-19.88905      10.38480 
1 1 1 3   16 15 o 155.6826 7.119452 247.9234       22.53918  282.5493       
38.82616  230.3233       27.68094  164.9805 11.64769 149.4915 9.149727 
15.48900       14.81169 
1 1 1 3   16 16 o 46.37491 15.30836 21.72274       16.76725  66.48565       
24.28490  -19.05508      23.17870  78.22594 15.81013 31.98261 14.84975 
46.24332       21.69044 
1 1 1 3   16 17 o 42.33678 15.70954 15.12076       18.00426  1.618751       
25.73097  28.07233       25.20102  41.01225 17.49368 53.56147 18.75085 
-12.54922      25.64417 
1 1 1 3   16 18 o 45.80283 17.23733 17.48688       21.82687  46.77153       
36.59605  1.317879       27.19292  66.34889 22.62486 41.80558 17.91169 
24.54331       28.85676 
1 1 1 3   16 19 o 112.7541 9.450571 132.7509       21.46928  128.7091       
30.42789  136.7581       30.29682  109.3336 14.00780 112.9820 13.45109 
-3.648369      19.42036 
1 1 1 3   16 20 o 94.28566 10.87843 94.88818       20.47482  80.92547       
28.67128  109.4191       29.24890  84.03162 17.35318 99.39564 14.93233 
-15.36402      22.89339 
1 1 1 3   16 21 o 46.27492 15.65667 23.60401       17.52379  51.70454       
25.53079  -1.427153      24.09615  65.20580 18.43410 36.95589 16.32653 
28.24991       24.62462 
1 1 1 3   17 0  f 566.0408 5.981714 3262.001       68.85331  3344.613       
122.9462  3224.252       83.10861  572.3729 10.56294 562.5817 7.264555 
9.791199       12.81988 
1 1 1 3   17 1  o 344.6759 5.286892 1209.106       37.05637  0.000000       
0.000000  1209.106       37.05637  ?        ?        344.6759 5.286892 
0.000000       5.286892 
1 1 1 3   17 2  o 362.1484 4.452298 1334.330       32.78856  1321.601       
55.60493  1341.115       40.59777  360.2046 7.591238 363.0091 5.499627 
-2.804474      9.374049 
1 1 1 3   17 3  f 401.4109 4.187380 1639.117       34.18086  1603.919       
39.15766  1751.783       70.05814  397.0450 4.849821 414.6832 8.307890 
-17.63821      9.619864 
1 1 1 3   17 4  o 162.2913 4.393924 267.9242       14.50104  275.2415       
18.89383  257.4352       22.62087  164.4678 5.649207 159.0267 6.995003 
5.441193       8.991306 
1 1 1 3   17 5  o 791.2678 9.802900 6378.807       157.7355  6378.807       
157.7355  0.000000       0.000000  791.2678 9.802900 ?        ?        
0.000000       9.802900 
1 1 1 3   17 6  o 367.4235 5.015879 1373.323       37.47705  1381.427       
65.37521  1369.356       45.73870  368.3193 8.728451 366.8471 6.131225 
1.472229       10.66667 
1 1 1 3   17 7  o 587.0505 5.597651 3506.405       66.82404  3477.017       
93.76840  3536.733       95.25608  584.3929 7.890421 589.3842 7.947724 
-4.991272      11.19933 
1 1 1 3   17 8  f 301.3614 4.449741 923.8822       27.26929  877.0084       
37.31481  977.6076       39.94902  293.5447 6.251087 309.9192 6.338788 
-16.37451      8.902601 
1 1 1 3   17 9  o 263.4260 4.619669 706.0552       24.74690  638.4299       
33.18799  790.7416       37.13920  250.4075 6.517517 278.6793 6.553546 
-28.27180      9.242673 
1 1 1 3   17 10 o 262.4457 5.214046 701.1493       27.82696  704.1067       
34.93011  696.0120       46.03723  262.9107 6.533416 261.2123 8.666904 
1.698334       10.85361 
1 1 1 3   17 11 f 230.6880 5.800549 542.1483       27.21106  536.3960       
32.09710  556.8464       51.30686  229.3699 6.881418 233.2319 10.81773 
-3.862015      12.82097 
1 1 1 3   17 12 o 443.4684 5.108046 2003.519       46.06477  2064.205       
66.03620  1946.001       64.28975  449.6975 7.221214 436.6275 7.240678 
13.07001       10.22611 
1 1 1 3   17 13 o 106.0112 7.578656 115.4483       16.23014  127.5962       
22.99720  103.3936       22.90882  111.0200 10.30391 99.59462 11.52425 
11.42536       15.45894 
1 1 1 3   17 14 o 455.6522 5.217349 2117.183       48.34314  2103.037       
67.79715  2131.815       68.95253  453.4753 7.352014 456.5404 7.427105 
-3.065033      10.45055 
1 1 1 3   17 15 o 112.8708 8.936409 131.6190       20.34374  115.0053       
34.35690  140.5891       25.24530  103.3127 16.94078 116.2656 10.80115 
-12.95296      20.09116 
1 1 1 3   17 16 o 50.09982 16.07993 26.03668       18.56761  24.75661       
24.00353  27.94370       29.29793  51.25794 18.26621 55.16481 20.11156 
-3.906868      27.16854 
1 1 1 3   17 17 o 75.75839 12.66679 61.33088       18.82513  44.15739       
26.13767  79.84117       27.13589  63.49957 18.86488 85.58811 16.18409 
-22.08854      24.85575 
1 1 1 3   17 18 o 48.98726 17.59716 22.65168       22.31965  -38.22762      
36.85464  57.91285       28.04824  37.96436 17.97061 71.82271 18.93489 
-33.85835      26.10504 
1 1 1 3   17 19 o 74.33197 13.33065 60.13916       19.40985  83.12340       
27.58934  37.61450       27.31211  86.50360 16.28142 58.80695 19.54384 
27.69666       25.43710 
1 1 1 3   17 20 o 186.1764 7.417108 359.0916       28.08088  417.0315       
49.84438  332.1519       33.98783  196.9616 12.50955 177.8153 9.433200 
19.14626       15.66761 
1 1 1 3   17 21 o 62.25187 14.23927 44.72166       17.63441  60.33826       
25.91667  31.25809       24.06391  70.37134 18.02942 52.21991 18.32059 
18.15143       25.70416 
1 1 1 3   18 0  o 362.3139 4.455925 1335.628       32.83027  1330.395       
58.25925  1338.063       39.74116  361.3385 7.928650 362.5872 5.389850 
-1.248688      9.587177 
1 1 1 3   18 1  o 61.03540 11.48034 39.27369       13.72612  39.27369       
13.72612  0.000000       0.000000  61.03540 11.48034 ?        ?        
0.000000       11.48034 
1 1 1 3   18 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   18 3  o 152.1159 4.046073 235.3723       12.51583  234.4269       
15.95213  236.8863       20.18622  151.7897 5.168028 152.5529 6.507034 
-0.7631683     8.309633 
1 1 1 3   18 4  o 466.6407 4.634946 2215.121       43.98238  2181.026       
50.44685  2323.165       89.80344  462.9978 5.358012 477.5405 9.247649 
-14.54272      10.68772 
1 1 1 3   18 5  o 688.0793 7.135825 4818.964       99.84679  4818.964       
99.84679  0.000000       0.000000  688.0793 7.135825 ?        ?        
0.000000       7.135825 
1 1 1 3   18 6  o 165.3083 4.994929 277.9930       16.79096  277.8383       
21.95374  278.2110       26.06370  165.2321 6.533749 165.3133 7.753125 
-0.8114624E-01 10.13907 
1 1 1 3   18 7  o 294.9214 4.270382 884.7397       25.61087  950.1035       
37.09875  825.2266       35.39946  305.5605 5.970500 284.7671 6.113015 
20.79343       8.544930 
1 1 1 3   18 8  o 89.87003 8.025952 82.92057       14.51340  82.10943       
20.35911  83.75871       20.69510  88.96478 11.52436 89.85678 11.59629 
-0.8920059     16.34885 
1 1 1 3   18 9  o 103.0366 7.613442 108.7567       15.83935  98.47404       
22.26346  119.2959       22.53953  97.52605 11.44338 107.6105 10.43102 
-10.08441      15.48409 
1 1 1 3   18 10 o 217.0497 5.469274 479.6890       24.14017  470.1251       
30.19028  496.6444       40.19798  214.7836 6.912173 220.5875 8.961318 
-5.803894      11.31739 
1 1 1 3   18 11 f 68.55696 13.76278 50.04294       18.52036  43.85786       
21.23715  69.68420       37.84499  63.92883 16.28939 80.30911 22.35266 
-16.38028      27.65838 
1 1 1 3   18 12 o 195.3085 5.254960 388.7110       20.87094  383.3890       
29.66477  393.9276       29.36939  193.7411 7.529528 196.4064 7.353393 
-2.665344      10.52455 
1 1 1 3   18 13 o 346.6481 4.801675 1224.544       33.84800  1239.226       
48.09280  1210.132       47.64692  348.3299 6.789503 344.2127 6.807012 
4.117126       9.614196 
1 1 1 3   18 14 o 125.4371 6.951148 161.3431       17.66173  176.0312       
24.05723  144.1709       26.01206  130.6571 9.111466 117.7848 10.98693 
12.87232       14.27345 
1 1 1 3   18 15 o 64.43359 14.62184 45.03969       18.71964  57.40789       
30.72110  37.73532       23.60884  72.12263 20.16241 59.33892 17.99756 
12.78371       27.02656 
1 1 1 3   18 16 o 232.1662 6.059702 551.0812       28.60893  592.3032       
37.00143  489.8083       45.11162  240.3221 7.571350 217.7880 10.18599 
22.53413       12.69172 
1 1 1 3   18 17 o 82.18151 11.44832 71.41102       18.61270  49.13121       
26.24392  93.95910       26.40145  66.59011 18.64233 93.58746 14.32876 
-26.99734      23.51276 
1 1 1 3   18 18 o 101.3468 11.48535 108.3786       23.25249  144.7890       
40.59126  90.59462       28.36832  114.6362 18.00590 91.02975 15.90380 
23.60641       24.02381 
1 1 1 3   18 19 o 49.36602 16.51744 25.63584       19.50143  6.346764       
27.91783  44.01660       27.25258  43.62246 18.39710 62.41868 19.41094 
-18.79622      26.74393 
1 1 1 3   18 20 o 156.6041 8.112384 256.0753       25.74610  240.9912       
43.86853  264.0008       31.79846  147.4986 14.82641 157.9836 9.948707 
-10.48500      17.85495 
1 1 1 3   18 21 o 36.86643 14.70515 10.26154       16.60241  9.746510       
23.21864  10.80036       23.74905  40.52854 16.91430 41.28506 17.15771 
-0.7565231     24.09317 
1 1 1 3   19 0  o 376.3962 4.562097 1441.434       34.91896  1460.091       
62.54136  1432.984       42.09049  378.5568 8.124280 375.2349 5.516064 
3.321838       9.819922 
1 1 1 3   19 1  o 404.2561 4.700591 1662.714       38.64207  1578.244       
63.55899  1712.246       48.67014  393.6159 7.940593 410.1609 5.835217 
-16.54498      9.854074 
1 1 1 3   19 2  o 577.6649 6.077641 3396.332       71.39412  3380.349       
122.4289  3404.568       87.88415  575.7372 10.45703 578.2161 7.474273 
-2.478882      12.85357 
1 1 1 3   19 3  o 636.5338 5.744846 4122.982       74.36205  4145.663       
86.58246  4059.217       145.1778  638.1934 6.671542 630.8669 11.31647 
7.326416       13.13666 
1 1 1 3   19 4  o 264.5435 4.252285 711.8474       22.87552  692.2087       
28.24830  749.2612       38.98987  260.8396 5.325587 271.3122 7.066933 
-10.47266      8.848922 
1 1 1 3   19 5  o 342.2297 4.736965 1191.406       32.96623  1191.406       
32.96623  0.000000       0.000000  342.2297 4.736965 ?        ?        
0.000000       4.736965 
1 1 1 3   19 6  o 113.9783 6.199826 132.5901       14.31583  131.5480       
19.22903  133.8860       21.44267  113.3476 8.402275 114.2664 9.308941 
-0.9187241     12.54012 
1 1 1 3   19 7  o 205.5677 4.525317 429.8874       18.91714  427.0622       
26.21877  432.9552       27.32100  204.8419 6.294221 206.2431 6.514270 
-1.401154      9.058308 
1 1 1 3   19 8  o 459.0090 5.726470 2144.386       53.45146  2051.967       
88.04635  2198.327       67.26514  448.5917 9.651809 464.6181 7.119386 
-16.02640      11.99346 
1 1 1 3   19 9  o 223.4203 4.711661 507.9821       21.40662  520.4164       
30.35476  495.6798       30.19297  226.0426 6.603666 220.5976 6.730597 
5.444931       9.429175 
1 1 1 3   19 10 o 401.9071 5.488439 1644.986       44.85656  1670.149       
56.09797  1600.372       74.69641  404.7954 6.814909 395.8364 9.279671 
8.959045       11.51326 
1 1 1 3   19 11 o 265.0103 5.716479 715.6933       30.80653  756.0783       
36.68287  619.0519       56.74596  272.2794 6.625171 245.6543 11.35950 
26.62506       13.15032 
1 1 1 3   19 12 o 149.5025 5.958742 227.9552       18.11568  209.6194       
25.19279  247.5879       26.06853  142.8548 8.713881 155.3697 8.280728 
-12.51489      12.02091 
1 1 1 3   19 13 o 435.9787 5.094981 1937.831       45.17095  1969.087       
64.57548  1907.883       63.20916  438.8839 7.235467 432.0224 7.194860 
6.861542       10.20382 
1 1 1 3   19 14 o 279.9667 4.817435 799.1638       27.42670  790.6094       
38.26483  808.2018       39.33160  278.0908 6.766464 281.1420 6.879622 
-3.051178      9.649571 
1 1 1 3   19 15 f 106.0405 8.110927 116.0283       17.35752  142.6021       
24.71736  90.17372       24.38058  117.0900 10.49207 92.14628 13.40405 
24.94375       17.02211 
1 1 1 3   19 16 o 113.6153 9.140636 133.7970       20.93988  146.4686       
27.38597  115.9607       32.49111  118.2641 11.53420 103.6936 15.91708 
14.57043       19.65684 
1 1 1 3   19 17 o 140.8046 10.59874 206.5877       30.12488  0.000000       
0.000000  206.5877       30.12488  ?        ?        140.8046 10.59874 
0.000000       10.59874 
1 1 1 3   19 18 o 170.4907 7.797371 299.2849       27.03339  228.6860       
46.18143  336.0872       33.34311  145.4849 15.86712 180.0312 9.137620 
-34.54634      18.31015 
1 1 1 3   19 19 o 73.08167 14.05325 58.92604       20.12660  74.79018       
29.89088  45.76787       27.22252  80.57017 18.61762 63.26193 19.35541 
17.30824       26.85606 
1 1 1 3   19 20 o 116.6806 9.643744 144.4498       22.67700  166.6437       
39.35639  133.4192       27.74585  120.8979 16.43422 110.5278 12.56803 
10.37008       20.68910 
1 1 1 3   19 21 o 54.68504 15.16580 35.43226       17.45434  31.49147       
24.88153  39.25045       24.49143  51.92749 18.58743 56.52697 18.49380 
-4.599487      26.22047 
1 1 1 3   20 0  o 291.6235 3.455080 865.0023       20.48953  886.4026       
29.41230  844.8246       28.55966  295.1570 4.900320 288.1526 4.873927 
7.004425       6.911461 
1 1 1 3   20 1  o 323.8402 4.176354 1066.823       27.50297  1129.620       
48.05831  1036.241       33.53791  333.0836 7.095187 319.1238 5.168034 
13.95978       8.777827 
1 1 1 3   20 2  o 257.3340 4.861120 673.7136       25.43812  673.7136       
25.43812  0.000000       0.000000  257.3340 4.861120 ?        ?        
0.000000       4.861120 
1 1 1 3   20 3  o 140.4333 3.708467 200.5850       10.59048  239.6008       
16.01317  170.2519       14.11936  153.4625 5.131257 129.3575 5.367499 
24.10495       7.425621 
1 1 1 3   20 4  o 602.6522 5.544779 3695.237       67.95203  3713.926       
79.09655  3642.578       132.7696  604.1047 6.438637 597.7736 10.92221 
6.331055       12.67875 
1 1 1 3   20 5  o 598.0682 6.450790 3640.091       78.45399  3640.091       
78.45399  0.000000       0.000000  598.0682 6.450790 ?        ?        
0.000000       6.450790 
1 1 1 3   20 6  f 238.3349 7.517225 578.3229       36.43314  0.000000       
0.000000  578.3229       36.43314  ?        ?        238.3349 7.517225 
0.000000       7.517225 
1 1 1 3   20 7  o 325.9738 4.430320 1080.993       29.36765  1132.055       
41.93265  1031.837       41.14289  333.4980 6.183119 318.3846 6.354646 
15.11346       8.866368 
1 1 1 3   20 8  o 450.9151 5.670489 2069.615       51.99561  2065.654       
87.43739  2071.781       64.67305  450.0280 9.554461 451.0154 7.051484 
-0.9874268     11.87481 
1 1 1 3   20 9  f 155.5954 5.672017 246.5104       17.94674  247.3523       
25.33709  245.6627       25.42419  155.5429 8.037884 155.0033 8.094017 
0.5395355      11.40705 
1 1 1 3   20 10 o 383.5586 5.410353 1498.406       42.19963  1569.893       
53.54444  1381.204       68.55965  392.4207 6.709823 367.6633 9.169950 
24.75739       11.36265 
1 1 1 3   20 11 o 244.1343 5.794493 607.5435       28.76707  608.5309       
33.77381  604.9339       54.90559  244.2163 6.800705 242.7881 11.12084 
1.428162       13.03544 
1 1 1 3   20 12 o 173.6920 5.514422 307.6144       19.47741  280.5741       
27.42561  335.1316       27.66641  165.6070 8.143781 181.0759 7.513473 
-15.46889      11.08032 
1 1 1 3   20 13 o 221.2307 5.002045 499.0014       22.50321  472.8946       
31.29068  526.9683       32.38628  215.0584 7.154958 227.0459 7.014489 
-11.98749      10.01980 
1 1 1 3   20 14 o 50.80996 14.25866 27.68870       15.33359  53.27446       
21.77778  2.534512       21.59333  69.99560 15.68823 38.37232 16.18110 
31.62328       22.53771 
1 1 1 3   20 15 o 52.40584 14.45477 29.67788       15.90428  14.55805       
22.26294  45.43654       22.72840  44.63534 17.25734 64.34206 17.08430 
-19.70672      24.28351 
1 1 1 3   20 16 o 110.2200 9.146378 126.0435       20.31511  131.1999       
26.34493  118.4798       31.90743  111.7528 11.76973 104.9365 15.41167 
6.816284       19.39191 
1 1 1 3   20 17 o 137.1234 7.802063 193.8993       21.66572  178.4583       
30.48802  209.6521       30.79419  130.4139 11.61786 141.7269 10.76522 
-11.31299      15.83871 
1 1 1 3   20 18 o 124.9095 9.653032 162.8347       24.32915  76.74200       
40.75222  210.5117       30.32654  80.79057 23.43439 141.7592 10.59674 
-60.96861      25.71889 
1 1 1 3   20 19 o 152.2898 7.084995 239.3812       21.94127  222.0744       
31.54321  255.6051       30.54038  144.9107 10.78136 156.0926 9.669050 
-11.18193      14.48200 
1 1 1 3   20 20 o 116.3624 9.647840 144.0916       22.62346  141.5193       
38.93821  145.4024       27.79647  109.5672 18.10869 115.5150 12.00866 
-5.947792      21.72861 
1 1 1 3   20 21 o 104.9794 10.00696 119.5137       21.10415  105.4724       
25.16186  152.8255       38.75604  96.43616 13.17544 112.2111 17.56028 
-15.77491      21.95348 
1 1 1 3   21 0  o 250.4782 3.701434 638.1488       18.85347  585.7365       
30.12458  671.8967       24.17287  239.8927 6.175223 256.9893 4.625533 
-17.09669      7.715499 
1 1 1 3   21 1  o 291.8040 4.000748 866.1268       23.74018  878.9230       
40.19495  859.2715       29.41980  293.8420 6.726763 290.6144 4.978187 
3.227661       8.368494 
1 1 1 3   21 2  o 543.1705 5.061550 3001.635       55.90763  3031.601       
79.76513  2972.697       78.38364  545.7065 7.187909 540.3840 7.132989 
5.322510       10.12648 
1 1 1 3   21 3  o 563.7026 5.225161 3232.861       59.89647  3219.600       
84.41604  3246.305       84.99976  562.3744 7.381557 564.7001 7.401989 
-2.325684      10.45356 
1 1 1 3   21 4  o 196.3678 4.277700 392.2257       17.08174  395.3713       
21.78211  387.2012       27.52915  197.1294 5.433718 195.0422 6.940852 
2.087219       8.814801 
1 1 1 3   21 5  o 580.4116 7.745385 3429.945       91.41774  3429.945       
91.41774  0.000000       0.000000  580.4116 7.745385 ?        ?        
0.000000       7.745385 
1 1 1 3   21 6  o 224.4661 4.846066 512.6083       22.12033  503.5028       
28.42582  526.5875       35.22096  222.4177 6.284810 227.4052 7.616395 
-4.987442      9.874629 
1 1 1 3   21 7  o 638.9474 5.936670 4155.498       77.13641  4245.448       
90.92757  3924.584       145.6858  645.6995 6.924903 620.0043 11.55503 
25.69525       13.47119 
1 1 1 3   21 8  o 76.07256 10.65305 60.23391       16.02787  52.22818       
25.42829  65.51126       20.64548  69.91815 17.82926 78.93612 13.33686 
-9.017967      22.26554 
1 1 1 3   21 9  o 99.72272 7.684383 102.0094       15.46304  90.96913       
21.48189  113.8807       22.27579  93.58500 11.53190 105.0158 10.57489 
-11.43081      15.64651 
1 1 1 3   21 10 o 153.5369 5.857694 240.2250       18.28903  264.4660       
25.76781  215.6164       25.96248  160.9525 7.872788 144.9869 8.848092 
15.96552       11.84354 
1 1 1 3   21 11 o 185.2583 6.373738 350.1281       24.01172  340.9613       
27.63971  378.3322       48.48228  182.7068 7.439217 191.2700 12.53410 
-8.563156      14.57551 
1 1 1 3   21 12 o 322.5118 4.760968 1059.976       31.22427  1043.129       
43.37082  1078.105       44.98920  319.5899 6.673493 324.8739 6.809921 
-5.283966      9.534701 
1 1 1 3   21 13 o 261.8704 4.856890 699.1730       25.86402  737.5358       
36.62436  661.0070       36.53031  268.6259 6.704566 254.2345 7.065901 
14.39149       9.740542 
1 1 1 3   21 14 o 306.0276 4.892867 955.2869       30.44917  937.7621       
42.76498  973.3064       43.36454  302.7162 6.947062 308.4091 6.914426 
-5.692902      9.801579 
1 1 1 3   21 15 o 156.5260 6.198225 250.5916       19.72901  235.9150       
27.59140  265.9460       28.22133  151.1167 9.019761 160.5704 8.675109 
-9.453766      12.51454 
1 1 1 3   21 16 o 78.82701 12.98092 66.55795       20.08361  69.66781       
25.65938  61.63990       32.26808  79.64360 16.38979 73.99663 20.65587 
5.646973       26.36835 
1 1 1 3   21 17 o 45.37981 16.05236 19.69085       18.50492  5.517701       
26.64021  32.90553       25.72367  42.95111 18.03492 56.20053 18.96955 
-13.24941      26.17445 
1 1 1 3   21 18 o 51.35656 17.63678 27.24927       22.24390  -2.803079      
40.20862  40.50275       26.70208  48.00626 21.15524 60.44423 19.27090 
-12.43797      28.61663 
1 1 1 3   21 19 o 30.06689 13.65558 -8.593882      18.17161  42.19313       
28.03446  -45.39304      23.86354  60.61715 19.78411 26.18175 12.87078 
34.43540       23.60229 
1 1 1 3   21 20 o 83.46827 12.18132 77.00941       20.06697  59.39924       
36.36429  84.72008       24.06240  67.79487 22.55218 86.45683 14.17798 
-18.66196      26.63861 
1 1 1 3   22 0  o 479.5124 5.260528 2339.498       51.29565  2422.163       
89.99283  2299.715       62.43031  487.5760 9.076409 475.3342 6.458698 
12.24185       11.13984 
1 1 1 3   22 1  o 196.8394 3.249134 394.0540       13.00562  395.5569       
18.40644  392.5556       18.37904  197.1895 4.590231 196.4397 4.600894 
0.7497711      6.499112 
1 1 1 3   22 2  o 124.9308 3.649277 158.7427       9.271026  136.3005       
12.74271  183.9826       13.51365  115.7421 5.414009 134.4793 4.941580 
-18.73722      7.330123 
1 1 1 3   22 3  o 240.2337 3.547275 586.9653       17.32927  571.7814       
24.16897  603.0301       24.86023  237.0727 5.013318 243.4644 5.021323 
-6.391785      7.095564 
1 1 1 3   22 4  o 181.9350 3.851679 336.6676       14.25009  341.8724       
17.06168  324.6620       25.91251  183.3231 4.576709 178.5879 7.135198 
4.735184       8.476870 
1 1 1 3   22 5  f 80.72495 8.069634 67.02462       13.06938  67.02462       
13.06938  0.000000       0.000000  80.72495 8.069634 ?        ?        
0.000000       8.069634 
1 1 1 3   22 6  o 486.0189 5.720061 2404.004       56.53341  2421.831       
70.67260  2372.326       94.20853  487.6913 7.126145 482.3947 9.603649 
5.296570       11.95876 
1 1 1 3   22 7  o 327.4974 4.311295 1091.228       28.71224  1096.057       
33.81902  1078.762       54.33824  328.1811 5.067527 325.3474 8.213094 
2.833679       9.650635 
1 1 1 3   22 8  o 509.3329 6.037063 2641.863       62.52862  2615.034       
105.0900  2656.567       77.79848  505.9978 10.21319 510.5307 7.493726 
-4.532928      12.66749 
1 1 1 3   22 9  o 234.7514 4.723895 561.0258       22.55069  519.5109       
30.71585  609.5663       33.21335  225.7564 6.690690 244.5430 6.678916 
-18.78656      9.453743 
1 1 1 3   22 10 o 106.6164 7.250206 116.5471       15.62565  102.2456       
21.70102  131.9453       22.51762  99.26598 10.93170 113.0936 9.890594 
-13.82764      14.74198 
1 1 1 3   22 11 o 248.9074 5.717673 631.7892       28.94067  617.3143       
33.64307  672.9852       56.75626  245.9009 6.727969 255.9065 10.90639 
-10.00552      12.81464 
1 1 1 3   22 12 o 89.44754 8.886229 82.82782       15.94962  75.33810       
22.08184  90.99754       23.06245  84.30882 13.32247 93.03297 12.50723 
-8.724144      18.27345 
1 1 1 3   22 13 o 103.6933 8.019951 110.8391       16.77969  112.4317       
23.51984  109.1882       23.94602  103.7475 11.33252 102.1223 11.74469 
1.625221       16.32066 
1 1 1 3   22 14 o 207.1925 5.441986 438.3282       22.92888  419.7827       
32.06689  457.7293       32.79814  202.3153 7.794291 211.2989 7.633094 
-8.983551      10.90940 
1 1 1 3   22 15 o 60.92465 14.08333 40.43863       17.09893  22.28724       
24.25666  58.36689       24.10712  49.80722 18.27813 72.78357 16.64899 
-22.97635      24.72406 
1 1 1 3   22 16 o 281.1898 5.392138 808.1394       30.83274  840.1326       
43.16516  774.8110       44.05666  286.0373 7.420948 274.5160 7.892098 
11.52124       10.83308 
1 1 1 3   22 17 o 120.9585 8.594869 151.7330       21.00346  131.0064       
29.92542  171.8557       29.48620  110.7121 13.57663 127.8298 11.46506 
-17.11774      17.76998 
1 1 1 3   22 18 o 150.0184 8.532417 233.8764       25.92208  224.4854       
44.73032  238.6252       31.80784  143.4364 15.58610 150.7397 10.44090 
-7.303299      18.76004 
1 1 1 3   22 19 o 66.92084 14.11015 50.32430       18.59712  31.93150       
27.39543  66.04432       25.32682  54.42115 19.50131 75.56715 16.90448 
-21.14600      25.80819 
1 1 1 3   22 20 o 61.89008 14.21511 44.38453       17.51369  30.60915       
25.11806  57.41808       24.43236  51.80108 18.66143 68.72832 17.44991 
-16.92725      25.54894 
1 1 1 3   23 0  o 355.9128 5.214077 1288.819       37.73745  1289.968       
53.43688  1287.676       53.30099  355.9548 7.382352 355.6392 7.370116 
0.3156433      10.43157 
1 1 1 3   23 1  o 331.1191 4.248651 1115.255       28.60795  1132.462       
35.87333  1085.196       47.41464  333.6248 5.287641 326.4999 7.141311 
7.124847       8.885802 
1 1 1 3   23 2  o 182.7373 4.975116 339.7229       18.48766  0.000000       
0.000000  339.7229       18.48766  ?        ?        182.7373 4.975116 
0.000000       4.975116 
1 1 1 3   23 3  o 356.2315 3.989141 1290.766       28.89769  1281.207       
40.57786  1300.604       41.16345  354.8448 5.623403 357.5191 5.661886 
-2.674225      7.979951 
1 1 1 3   23 4  o 260.1077 3.811173 688.1494       20.15874  710.9276       
24.23048  636.9356       36.33258  264.3587 4.507306 250.1295 7.142988 
14.22922       8.446188 
1 1 1 3   23 5  o 499.8736 4.987405 2542.372       50.69747  2498.172       
58.05993  2684.246       104.0212  495.4526 5.762660 513.1064 9.969259 
-17.65381      11.51496 
1 1 1 3   23 6  o 410.0128 8.790046 1713.541       73.28919  0.000000       
0.000000  1713.541       73.28919  ?        ?        410.0128 8.790046 
0.000000       8.790046 
1 1 1 3   23 7  o 307.8718 4.284315 964.4328       26.82271  987.5671       
32.00280  909.8117       49.17442  311.4989 5.052194 298.7521 8.094254 
12.74686       9.541573 
1 1 1 3   23 8  o 161.4182 5.386584 265.3074       17.68143  278.2926       
25.51380  253.3081       24.52607  165.2043 7.594556 157.6106 7.652282 
7.593628       10.78122 
1 1 1 3   23 9  o 347.9429 4.684914 1232.659       33.14828  1191.807       
45.61878  1278.358       48.24924  341.8997 6.561355 354.0760 6.701044 
-12.17633      9.378452 
1 1 1 3   23 10 o 187.7251 5.176164 359.0869       19.75977  332.7691       
27.15912  388.6857       28.80229  180.5130 7.398705 195.1065 7.259452 
-14.59349      10.36535 
1 1 1 3   23 11 o 124.4690 8.253180 159.2574       20.77129  148.0930       
23.75327  195.5364       42.81881  119.7254 9.843493 136.1897 15.75172 
-16.46436      18.57447 
1 1 1 3   23 12 o 141.6459 6.250517 204.9206       18.00410  199.7764       
24.94960  210.5098       26.00655  139.2684 8.855674 142.9471 8.992389 
-3.678711      12.62086 
1 1 1 3   23 13 o 123.3497 7.122313 156.2482       17.78930  153.1757       
24.63060  159.5986       25.72054  121.5303 10.05678 124.0123 10.29216 
-2.481949      14.38983 
1 1 1 3   23 14 o 54.10820 15.46964 31.64725       17.87563  10.26937       
29.35740  44.24326       22.53470  46.95097 19.25045 63.47275 17.08225 
-16.52178      25.73680 
1 1 1 3   23 15 o 223.7380 5.484882 511.6241       24.95506  480.1291       
34.55186  545.9692       36.08137  216.1544 7.860604 230.5495 7.696042 
-14.39510      11.00083 
1 1 1 3   23 16 o 103.6623 9.399296 111.9427       19.59834  92.44832       
27.77873  131.2627       27.65417  92.25614 15.34604 111.3834 12.42077 
-19.12725      19.74276 
1 1 1 3   23 17 o 99.34972 10.20597 103.6470       20.32618  80.77192       
28.84388  126.2128       28.64822  85.08071 17.26149 108.6381 13.24172 
-23.55736      21.75551 
1 1 1 3   23 18 o 76.44010 15.17676 65.13824       22.75918  35.49149       
40.19535  79.12805       27.61171  60.42486 23.23646 83.70105 16.80608 
-23.27619      28.67712 
1 1 1 3   23 19 o 67.85277 14.25026 52.11932       19.03697  40.08039       
27.67661  62.92979       26.22655  58.62027 19.67700 72.91334 17.83529 
-14.29307      26.55714 
1 1 1 3   23 20 o 63.81769 13.97801 47.30618       17.63802  27.83112       
25.69004  64.67235       24.25925  50.01807 18.72468 73.15235 16.67824 
-23.13428      25.07543 
1 1 1 3   24 0  o 45.93529 5.810916 21.81381       5.306629  32.05843       
7.733891  12.69954       7.294760  55.68408 6.983525 34.85620 9.853448 
20.82788       12.07725 
1 1 1 3   24 1  o 165.3464 3.328205 278.0518       11.19068  312.4882       
16.27311  247.1561       15.41384  175.2663 4.565841 155.8665 4.863028 
19.39978       6.670528 
1 1 1 3   24 2  o 246.7564 3.516106 619.2806       17.64338  622.0430       
24.82639  616.4618       25.07855  247.2704 4.937304 246.1565 5.010023 
1.113968       7.034010 
1 1 1 3   24 3  o 629.0062 5.708892 4026.099       73.02274  3899.150       
100.4730  4168.237       106.3138  618.7694 7.984896 639.7404 8.172114 
-20.97095      11.42550 
1 1 1 3   24 4  o 293.2266 4.546845 874.7257       27.11221  851.4100       
34.02404  915.2847       44.87506  289.2421 5.784595 299.8114 7.360467 
-10.56937      9.361518 
1 1 1 3   24 5  o 852.0034 7.400884 7393.316       128.2261  7354.606       
147.6964  7511.789       258.3840  849.5296 8.549487 856.6196 14.83290 
-7.090027      17.12042 
1 1 1 3   24 6  o 534.5261 6.099602 2909.025       66.30128  2961.406       
83.57092  2820.059       108.9118  539.1122 7.622976 525.6526 10.18884 
13.45959       12.72486 
1 1 1 3   24 7  o 561.3802 6.306581 3209.994       71.99503  3321.725       
91.50247  3028.414       116.6486  570.7829 7.883344 544.4098 10.53664 
26.37311       13.15933 
1 1 1 3   24 8  o 243.7417 5.124437 604.9593       25.39963  598.1510       
32.60396  615.4703       40.51105  242.2461 6.618537 245.5757 8.112162 
-3.329575      10.46958 
1 1 1 3   24 9  o 217.6807 5.298222 482.7657       23.45316  474.1192       
29.93395  496.5117       37.74273  215.5791 6.828195 220.4197 8.420375 
-4.840576      10.84098 
1 1 1 3   24 10 o 69.79760 11.86805 51.49820       16.24197  86.76289       
21.11329  0.3748426      25.42117  91.11084 11.66324 40.70235 17.37543 
50.40849       20.92694 
1 1 1 3   24 11 o 132.3765 7.966584 180.0176       21.34553  178.4837       
23.68279  186.6584       49.27684  131.6422 8.899066 131.8085 18.92743 
-0.1662903     20.91508 
1 1 1 3   24 12 o 503.2383 5.443838 2584.407       55.70963  2491.184       
76.65418  2688.770       81.10469  493.2031 7.642908 512.3199 7.784904 
-19.11682      10.90957 
1 1 1 3   24 13 o 255.0944 5.040389 664.0201       26.14667  607.5082       
35.26830  732.9847       38.96077  243.5641 7.120652 267.5266 7.161586 
-23.96243      10.09911 
1 1 1 3   24 14 o 135.9329 7.905376 190.4049       21.75799  216.0477       
35.30210  174.6970       27.62980  143.5592 12.20844 129.4966 10.58477 
14.06267       16.15807 
1 1 1 3   24 15 o 147.0889 6.810632 221.8405       20.37130  222.2419       
28.37733  221.4136       29.26177  146.3231 9.589943 145.9447 9.918493 
0.3784180      13.79650 
1 1 1 3   24 16 o 27.00382 12.70490 -18.17195      17.91684  1.885195       
25.94075  -36.46814      24.77584  40.97914 17.52431 28.98548 13.98861 
11.99366       22.42282 
1 1 1 3   24 17 o 46.03303 16.32175 20.64453       19.14202  19.19315       
27.50459  22.00783       26.65710  49.13484 19.12989 50.12349 19.00611 
-0.9886475     26.96637 
1 1 1 3   24 18 o 60.42045 16.97004 41.72631       21.70999  44.48022       
37.84060  40.37508       26.50630  63.30339 22.89018 59.59974 19.22113 
3.703659       29.89000 
1 1 1 3   24 19 o 24.04978 11.63171 -25.30054      17.36292  10.25257       
25.32803  -56.82126      23.84848  42.41155 17.68013 24.15861 12.04656 
18.25294       21.39408 
1 1 1 3   24 20 o 117.5017 7.933886 146.3183       18.84647  119.4226       
26.76434  172.7709       26.54290  102.5783 13.13215 125.8944 10.46268 
-23.31606      16.79050 
1 1 1 3   25 0  o 732.0039 6.403251 5453.647       95.31590  5333.283       
132.1873  5584.010       137.5677  723.5272 8.984282 740.3137 9.137964 
-16.78650      12.81482 
1 1 1 3   25 1  o 447.4478 4.441216 2036.668       40.41064  2012.385       
56.68988  2061.755       57.62003  444.6636 6.269350 450.0833 6.295485 
-5.419617      8.884699 
1 1 1 3   25 2  o 143.7676 3.689609 210.2305       10.78680  209.5479       
15.21550  210.9202       15.29449  143.5089 5.213820 143.9778 5.223817 
-0.4689484     7.380527 
1 1 1 3   25 3  o 144.9820 5.618268 213.9079       16.56410  0.000000       
0.000000  213.9079       16.56410  ?        ?        144.9820 5.618268 
0.000000       5.618268 
1 1 1 3   25 4  o 333.4611 4.108629 1131.193       27.86080  1129.971       
32.90574  1134.288       52.36068  333.2467 4.855728 333.6988 7.716123 
-0.4521484     9.116834 
1 1 1 3   25 5  o 399.5107 4.459301 1623.983       36.22818  1621.940       
42.42526  1629.485       69.61752  399.2072 5.226064 399.8120 8.562712 
-0.6047974     10.03154 
1 1 1 3   25 6  o 133.3179 6.464846 181.0309       17.52661  208.9408       
25.39310  155.6378       24.22116  142.8545 8.783752 123.0970 9.755903 
19.75750       13.12753 
1 1 1 3   25 7  o 282.0833 4.754718 809.9916       27.27429  793.3716       
33.60225  842.0855       46.69444  279.0851 5.920798 287.3131 7.992051 
-8.228088      9.946292 
1 1 1 3   25 8  f 437.2003 4.807714 1946.394       42.74354  2000.693       
50.75685  1813.990       79.25969  443.1335 5.632597 421.2189 9.253223 
21.91452       10.83274 
1 1 1 3   25 9  o 198.0581 5.458814 399.8088       21.98581  400.9869       
28.22311  397.9905       35.06375  198.1959 7.002590 197.2365 8.742177 
0.9594116      11.20098 
1 1 1 3   25 10 o 300.5914 4.677536 920.6799       28.59204  895.6879       
39.80853  947.3101       41.09254  296.1665 6.609806 304.5767 6.634603 
-8.410187      9.365228 
1 1 1 3   25 11 o 138.5985 7.783605 197.3004       21.84889  205.1121       
24.59307  168.0400       47.59704  141.1682 8.608049 124.5701 19.42293 
16.59805       21.24497 
1 1 1 3   25 12 o 148.6997 6.218319 225.9805       18.80332  211.9761       
26.24282  240.7557       26.95530  143.3333 9.049982 152.8681 8.707170 
-9.534760      12.55854 
1 1 1 3   25 13 o 83.17641 10.17532 72.45759       16.85185  71.47965       
23.27246  73.53558       24.43419  81.41694 14.59249 82.44640 15.13149 
-1.029465      21.02148 
1 1 1 3   25 14 o 115.9204 8.841246 139.2526       20.68414  158.0394       
34.24548  128.4628       25.95291  121.8697 14.07736 110.5155 11.72731 
11.35413       18.32217 
1 1 1 3   25 15 o 93.25852 10.16254 91.18369       18.96070  89.90566       
26.26011  92.57564       27.40549  91.16277 14.66241 92.36741 15.11322 
-1.204636      21.05696 
1 1 1 3   25 16 o 108.0195 9.192957 121.5875       20.00133  127.5954       
28.45169  115.7174       28.12348  109.3759 13.04954 103.8690 13.64486 
5.506828       18.88048 
1 1 1 3   25 17 o 173.4695 7.248865 310.1141       25.57081  294.7052       
33.13037  332.8189       40.21600  167.9403 9.742951 177.7576 11.18249 
-9.817383      14.83149 
1 1 1 3   25 18 o 117.6840 12.68292 149.9956       29.87254  89.91078       
43.54245  203.4222       41.05913  84.30770 24.15671 135.5589 15.15393 
-51.25123      28.51646 
1 1 1 3   25 19 o 136.5024 8.778096 197.2761       24.23723  163.9380       
29.24192  270.4481       43.32191  122.3680 11.90193 155.5490 13.84045 
-33.18105      18.25415 
1 1 1 3   25 20 o 55.54387 22.17347 38.28511       37.77713  0.000000       
0.000000  38.28511       37.77713  ?        ?        55.54387 22.17347 
0.000000       22.17347 
1 1 1 3   26 0  o 306.0710 4.131202 952.9302       25.71284  945.1140       
42.70107  957.3766       32.20642  304.6909 6.891723 306.7454 5.163128 
-2.054474      8.611257 
1 1 1 3   26 1  o 150.3589 3.519584 229.9457       10.76147  237.3985       
15.36586  222.7712       15.07631  152.7510 4.946766 147.9691 5.010403 
4.781921       7.040926 
1 1 1 3   26 2  o 290.7069 3.711410 859.6135       21.94046  889.6432       
31.49567  831.3016       30.58151  295.6833 5.238085 285.8227 5.261515 
9.860657       7.424357 
1 1 1 3   26 3  o 375.1233 4.133117 1431.531       31.52849  1359.077       
43.17134  1514.343       46.15398  365.4120 5.809801 385.7155 5.884244 
-20.30350      8.269106 
1 1 1 3   26 4  o 199.3109 4.033844 404.1382       16.34939  415.6586       
20.00460  380.9640       28.37261  202.1056 4.867435 193.3914 7.214571 
8.714127       8.702986 
1 1 1 3   26 5  o 226.8255 4.130226 523.4845       19.05097  533.6530       
23.09873  501.8531       33.69000  228.9832 4.960587 221.9169 7.465505 
7.066254       8.963325 
1 1 1 3   26 6  o 89.35924 8.562131 82.21561       15.36820  93.39242       
23.16540  73.42973       20.53872  94.71713 12.31863 83.78189 12.43225 
10.93524       17.50170 
1 1 1 3   26 7  o 192.8085 4.994441 378.5461       19.58233  394.1708       
24.91852  353.3145       31.66553  196.6662 6.230761 186.0224 8.370861 
10.64383       10.43521 
1 1 1 3   26 8  o 44.19526 12.94314 20.46371       12.37838  27.50070       
14.99268  5.395308       21.93914  50.85915 14.03696 40.23072 16.58523 
10.62842       21.72800 
1 1 1 3   26 9  o 216.2960 5.312220 476.9016       23.36554  447.0118       
29.40068  528.1441       38.49565  209.2233 6.910284 227.1967 8.332170 
-17.97343      10.82484 
1 1 1 3   26 10 o 159.9968 5.557997 261.1548       18.08344  257.4103       
25.01698  265.2524       26.16963  158.5946 7.757025 160.9597 7.995193 
-2.365143      11.13977 
1 1 1 3   26 11 o 97.49124 10.08209 98.88091       19.69915  91.74928       
21.81609  130.3705       45.84226  93.49004 11.73368 108.4556 21.54506 
-14.96560      24.53301 
1 1 1 3   26 12 o 146.4522 6.172577 219.2693       18.38289  207.3667       
25.72331  231.6930       26.28030  141.7208 8.971990 149.9092 8.657712 
-8.188431      12.46806 
1 1 1 3   26 13 o 118.6998 7.488958 145.1286       17.98417  152.8427       
25.50310  137.4982       25.36440  121.1019 10.45858 114.6620 11.01362 
6.439949       15.18821 
1 1 1 3   26 14 o 320.7612 5.857922 1052.791       38.20998  1099.687       
63.72635  1026.468       47.74434  326.0867 9.610247 316.1187 7.427118 
9.968018       12.14574 
1 1 1 3   26 15 o 114.5508 8.683027 136.2017       20.07610  151.1814       
27.88678  120.0854       28.92547  119.7993 11.59196 105.8772 13.75991 
13.92216       17.99190 
1 1 1 3   26 16 o 82.09023 11.98229 72.07810       19.41306  86.25575       
28.14830  59.21745       26.80906  88.30599 16.27474 72.27847 18.23953 
16.02753       24.44479 
1 1 1 3   26 17 o 25.10473 12.07547 -25.20992      18.10227  -28.89644      
26.27387  -21.87852      24.97635  31.58160 15.01395 32.21465 15.10644 
-0.6330528     21.29843 
1 1 1 3   26 18 o 42.94479 19.90546 -20.25663      41.38748  -20.25663      
41.38748  0.000000       0.000000  42.94479 19.90546 ?        ?        
0.000000       19.90546 
1 1 1 3   26 19 o 56.20163 15.24252 37.40567       17.86058  17.84151       
25.67427  55.75240       24.86262  45.22218 18.19955 67.20808 17.87944 
-21.98589      25.51270 
1 1 1 3   27 0  o 169.3654 3.433571 291.7567       11.82558  301.6707       
16.89491  282.2342       16.55796  172.1900 4.824991 166.5491 4.888921 
5.640945       6.868922 
1 1 1 3   27 1  o 519.9322 4.938326 2750.667       52.21291  2710.907       
73.09241  2792.096       74.61142  515.9709 6.966195 523.6359 7.006877 
-7.664917      9.880496 
1 1 1 3   27 2  o 306.3926 3.798433 954.9538       23.66651  941.9332       
33.48923  967.9437       33.44979  304.2229 5.413297 308.3990 5.333706 
-4.176086      7.599487 
1 1 1 3   27 3  o 354.4551 4.602580 1278.416       33.17524  1251.084       
55.44443  1293.658       41.40519  350.3999 7.781126 356.4893 5.711587 
-6.089386      9.652366 
1 1 1 3   27 4  o 55.87136 10.67929 32.94329       11.69111  27.03971       
16.91431  38.34389       16.17772  51.01551 15.18014 60.01190 13.57418 
-8.996391      20.36406 
1 1 1 3   27 5  o 343.7223 5.679666 1203.067       39.69922  1199.130       
56.04582  1207.031       56.24103  342.9014 8.037528 344.0289 8.039090 
-1.127533      11.36789 
1 1 1 3   27 6  o 241.9602 7.667304 597.2289       37.72577  0.000000       
0.000000  597.2289       37.72577  ?        ?        241.9602 7.667304 
0.000000       7.667304 
1 1 1 3   27 7  o 216.7024 5.642888 478.5191       24.86661  495.1667       
36.07679  463.4515       34.32218  220.1898 8.057107 213.0373 7.922600 
7.152512       11.29976 
1 1 1 3   27 8  o 82.84836 8.799953 71.02072       14.59874  59.16948       
18.64290  89.80891       23.47329  74.77860 12.71502 92.50060 12.82392 
-17.72200      18.05892 
1 1 1 3   27 9  o 234.7455 4.924507 561.6733       23.50777  554.7070       
29.23054  574.4287       39.55324  233.1227 6.165961 236.8787 8.211161 
-3.756012      10.26851 
1 1 1 3   27 10 o 111.5425 7.793720 128.0294       17.56704  163.7281       
29.02102  107.3843       22.06966  125.4057 11.50844 101.5015 10.86085 
23.90411       15.82411 
1 1 1 3   27 11 o 204.4376 6.383394 427.3238       26.53774  413.1619       
30.18956  475.4685       55.66339  200.8317 7.392190 213.4747 12.88284 
-12.64299      14.85301 
1 1 1 3   27 12 o 299.7497 4.919146 916.9841       29.98471  952.5258       
43.25068  884.0929       41.60666  304.9295 6.974967 293.7750 6.964608 
11.15451       9.856771 
1 1 1 3   27 13 o 117.0254 7.591110 141.2315       17.96744  146.8032       
25.79018  135.9769       25.04576  118.4793 10.82390 113.9566 10.94250 
4.522697       15.39140 
1 1 1 3   27 14 o 54.07730 15.39419 31.97845       17.74108  -10.04957      
25.40461  71.98515       24.78617  36.35167 16.36205 81.00658 15.61268 
-44.65490      22.61576 
1 1 1 3   27 15 o 38.25104 15.58226 7.284382       19.07980  -21.84359      
25.62349  43.53341       28.58455  33.03763 15.43046 62.75444 19.93134 
-29.71680      25.20630 
1 1 1 3   27 16 f 212.3332 6.032827 462.5327       26.04895  448.6915       
36.87529  476.3191       36.80238  208.1283 8.712704 214.5642 8.434655 
-6.435913      12.12661 
1 1 1 3   27 17 o 73.18312 13.91371 59.34748       19.94961  65.03645       
29.77526  54.71336       26.87338  74.31036 19.46999 68.45853 18.75131 
5.851830       27.03132 
1 1 1 3   27 18 o 150.9455 16.44531 260.3268       49.66251  260.3268       
49.66251  0.000000       0.000000  150.9455 16.44531 ?        ?        
0.000000       16.44531 
1 1 1 3   27 19 f 106.2147 17.95203 138.4924       37.39293  138.4924       
37.39293  0.000000       0.000000  106.2147 17.95203 ?        ?        
0.000000       17.95203 
1 1 1 3   28 0  o 339.8578 3.866288 1174.987       26.72039  1189.892       
38.13623  1160.614       37.44981  341.9200 5.484813 337.6892 5.453571 
4.230774       7.734637 
1 1 1 3   28 1  o 364.9985 4.015162 1355.341       29.80202  1379.566       
42.63654  1332.199       41.67281  368.1409 5.695299 361.7680 5.664626 
6.372925       8.032709 
1 1 1 3   28 2  o 50.47324 8.024179 26.60478       7.960274  23.85249       
11.49469  29.14109       11.03446  47.39248 11.93428 52.47840 10.70269 
-5.085918      16.03043 
1 1 1 3   28 3  o 203.1548 3.793457 419.8878       15.67161  427.5395       
22.66743  412.8812       21.69083  204.9334 5.439239 201.3960 5.296314 
3.537399       7.591855 
1 1 1 3   28 4  o 417.8329 5.107406 1777.274       43.39648  1757.887       
53.52230  1814.476       74.14299  415.4120 6.335841 421.7062 8.645869 
-6.294189      10.71886 
1 1 1 3   28 5  o 220.1935 4.767832 493.5923       21.34896  442.6066       
26.79671  582.1909       35.32409  208.4132 6.322732 238.9445 7.269801 
-30.53123      9.634674 
1 1 1 3   28 6  o 521.0826 6.065689 2767.469       64.27441  2823.978       
81.51690  2674.601       104.5009  526.0091 7.620842 511.1899 10.05278 
14.81921       12.61490 
1 1 1 3   28 7  o 217.9886 4.777323 484.0352       21.17727  480.4271       
26.82510  490.0038       34.50158  217.0531 6.077488 219.0053 7.746986 
-1.952286      9.846403 
1 1 1 3   28 8  o 202.6526 4.528780 418.3860       18.66315  387.5632       
22.15822  493.6347       34.62167  194.9452 5.589473 219.7092 7.749047 
-24.76405      9.554577 
1 1 1 3   28 9  o 255.6800 4.330449 666.0956       22.51547  673.5948       
26.58879  647.0886       42.32977  257.0117 5.087380 251.2986 8.283320 
5.713196       9.720845 
1 1 1 3   28 10 o 117.9939 5.755507 142.1754       13.81003  131.2172       
17.08763  162.8125       23.44961  112.9450 7.482216 125.5085 9.253043 
-12.56356      11.89968 
1 1 1 3   28 11 o 301.0363 5.703331 925.8658       34.91394  899.6097       
40.25706  1005.552       70.13235  296.4736 6.677357 311.6634 11.06576 
-15.18976      12.92432 
1 1 1 3   28 12 o 135.4412 6.768001 187.9502       18.64072  204.9576       
26.82417  172.0666       25.92283  140.6310 9.434471 128.6496 9.987107 
11.98135       13.73869 
1 1 1 3   28 13 o 135.5169 6.748469 188.3457       18.59731  148.6531       
25.01062  237.4323       27.81319  119.2628 10.41714 151.3714 9.077489 
-32.10860      13.81730 
1 1 1 3   28 14 o 80.80881 11.01185 69.23715       17.62432  90.30582       
26.01042  51.35294       23.96424  91.26850 14.49931 67.69437 17.33345 
23.57413       22.59820 
1 1 1 3   28 15 o 92.81738 10.96096 91.13811       20.28926  51.97627       
27.35355  139.0374       30.25150  67.65619 19.06470 113.9737 13.30269 
-46.31754      23.24703 
1 1 1 3   28 16 o 137.4257 7.716866 195.6953       21.47827  159.8639       
31.00110  228.7709       29.78509  122.2067 12.65827 147.7187 9.973861 
-25.51203      16.11551 
1 1 1 3   28 17 o 192.6182 9.031989 387.9817       35.37791  387.9817       
35.37791  0.000000       0.000000  192.6182 9.031989 ?        ?        
0.000000       9.031989 
1 1 1 3   28 18 o 33.45535 14.66846 -0.6841795     19.11274  -12.87884      
37.70156  3.533818       22.17316  41.76273 19.22964 37.43204 16.10926 
4.330685       25.08560 
1 1 1 3   28 19 o 77.86932 13.14793 69.94306       20.07835  109.5378       
36.57336  52.86150       24.02205  91.07947 20.26882 64.39704 17.76579 
26.68243       26.95270 
1 1 1 3   29 0  o 308.1917 3.740773 966.2692       23.44410  951.4734       
32.88483  981.5613       33.43187  305.7403 5.289218 310.5365 5.294155 
-4.796204      7.483575 
1 1 1 3   29 1  o 384.1379 4.139857 1501.403       32.33880  1519.158       
46.17198  1484.307       45.30820  386.2663 5.878144 381.8138 5.835443 
4.452515       8.282811 
1 1 1 3   29 2  o 148.3462 3.884433 223.9027       11.71805  212.9675       
16.41875  235.2554       16.72927  144.6277 5.582609 152.0135 5.411818 
-7.385864      7.775172 
1 1 1 3   29 3  o 261.8046 3.788667 697.3901       20.17043  669.9612       
27.95341  727.1844       29.13378  256.5160 5.358819 267.2462 5.360853 
-10.73029      7.579952 
1 1 1 3   29 4  f 206.5216 4.131345 434.0688       17.35035  422.4176       
21.10725  458.3445       30.46732  203.6814 5.095992 212.0273 7.066284 
-8.345840      8.712147 
1 1 1 3   29 5  o 107.7756 5.749858 118.6899       12.55617  99.60466       
15.69641  152.6050       20.92411  98.46423 7.905838 121.9361 8.491458 
-23.47186      11.60203 
1 1 1 3   29 6  o 134.0715 6.292186 183.3201       17.15496  208.7640       
24.94588  160.4913       23.62918  142.6255 8.641806 124.8717 9.373759 
17.75378       12.74944 
1 1 1 3   29 7  o 150.0655 4.980076 229.4924       15.19736  229.5291       
18.62741  229.4194       26.28167  149.9919 6.107077 149.4490 8.685320 
0.5428925      10.61749 
1 1 1 3   29 8  o 177.6741 5.362271 321.9724       19.37422  310.2067       
25.47448  338.1149       29.83875  174.1819 7.192022 181.7167 8.074849 
-7.534821      10.81334 
1 1 1 3   29 9  o 194.2100 4.550883 384.4996       17.97293  392.4383       
21.32955  365.0612       33.37636  196.1075 5.348552 188.5865 8.703158 
7.520935       10.21528 
1 1 1 3   29 10 o 217.4086 4.550802 482.0185       20.11945  493.5097       
23.74995  452.8128       37.86298  219.8668 5.311922 209.8500 8.872669 
10.01674       10.34122 
1 1 1 3   29 11 o 367.3329 5.765155 1379.299       43.06479  1316.971       
49.38387  1577.168       87.98933  358.5750 6.772574 390.0029 11.09457 
-31.42798      12.99836 
1 1 1 3   29 12 o 187.7090 6.515181 361.0195       24.86926  423.2769       
46.08530  335.4411       29.53950  201.4146 11.29735 180.5748 8.044415 
20.83975       13.86877 
1 1 1 3   29 13 o 192.1099 5.655328 377.7110       22.09322  372.3082       
30.04811  384.0690       32.59628  190.1820 7.769557 192.9942 8.305628 
-2.812119      11.37319 
1 1 1 3   29 14 o 95.58296 9.584930 95.69029       18.37935  67.01573       
25.77541  125.3508       26.21481  77.43468 16.84788 108.6722 12.06623 
-31.23750      20.72306 
1 1 1 3   29 15 f 284.1543 5.984578 828.2360       34.58113  788.9177       
43.96706  892.0123       55.99635  276.4713 7.820345 293.0150 9.397633 
-16.54364      12.22593 
1 1 1 3   29 16 o 116.4862 8.838620 141.9291       20.78073  115.8827       
30.27175  165.1426       28.57811  102.5372 14.95831 124.5885 11.40647 
-22.05134      18.81113 
1 1 1 3   29 17 o 141.7145 7.334454 209.0101       21.06414  278.2517       
32.26937  157.6018       27.80505  162.1269 9.834261 120.9900 11.43677 
41.13684       15.08352 
1 1 1 3   29 18 o 100.6412 20.21719 128.0653       39.93959  128.0653       
39.93959  0.000000       0.000000  100.6412 20.21719 ?        ?        
0.000000       20.21719 
1 1 1 3   29 19 o 47.44088 16.42356 27.22821       19.30766  46.13006       
34.99678  18.95775       23.14946  57.68464 21.80015 43.47489 17.35693 
14.20975       27.86592 
1 1 1 3   30 0  o 260.7726 3.594848 691.8293       19.06312  708.8873       
27.33883  675.6866       26.59519  263.8903 5.094543 257.6376 5.076244 
6.252655       7.191844 
1 1 1 3   30 1  o 115.2874 4.274364 135.2579       10.02086  141.3237       
14.28059  129.3737       14.06513  117.6431 5.989171 112.5306 6.169940 
5.112488       8.598740 
1 1 1 3   30 2  o 34.98596 10.46099 12.64283       8.018053  13.44523       
11.61304  11.91187       11.08394  37.61294 12.74545 35.93353 12.44348 
1.679409       17.81254 
1 1 1 3   30 3  o 242.5641 3.762412 598.7208       18.55856  587.2775       
26.03594  610.5407       26.46076  240.1374 5.331654 244.8487 5.314386 
-4.711258      7.527897 
1 1 1 3   30 4  o 432.8809 4.632841 1907.944       40.78188  1905.601       
47.84200  1914.169       78.00008  432.5007 5.439651 432.7831 8.862849 
-0.2823792     10.39903 
1 1 1 3   30 5  o 129.7826 5.016232 171.5862       13.23871  178.2717       
16.61479  159.9606       21.90968  132.2217 6.179321 124.7743 8.689175 
7.447433       10.66235 
1 1 1 3   30 6  o 282.5074 5.775568 813.9053       33.17997  750.8564       
47.65860  873.2090       46.22151  270.8442 8.653071 292.2657 7.777049 
-21.42151      11.63435 
1 1 1 3   30 7  o 249.1581 4.881825 632.7817       24.73481  655.3546       
32.18069  600.1937       38.66612  253.3624 6.245998 242.1797 7.851297 
11.18266       10.03271 
1 1 1 3   30 8  o 342.2566 5.099021 1194.806       35.48870  1201.237       
44.80198  1183.975       58.14382  342.8585 6.425853 339.7791 8.415025 
3.079376       10.58793 
1 1 1 3   30 9  o 272.1277 4.336868 754.9268       23.99940  758.9207       
28.31227  744.7305       45.23685  272.7089 5.105331 269.3596 8.258637 
3.349274       9.709249 
1 1 1 3   30 10 o 32.99623 12.77031 7.508359       12.20062  0.1034602      
14.58450  24.77086       22.26814  30.76789 13.14834 50.46313 17.62826 
-19.69524      21.99169 
1 1 1 3   30 11 o 144.6004 5.998529 213.9394       17.63866  201.0518       
18.81297  307.6106       50.71934  140.0844 6.604142 170.1283 14.80808 
-30.04393      16.21400 
1 1 1 3   30 12 o 157.0818 7.404919 253.6062       23.65362  273.2512       
43.02114  245.0946       28.31794  160.6606 13.28729 153.7485 9.097795 
6.912094       16.10348 
1 1 1 3   30 13 o 57.04723 14.83075 35.95409       17.36447  70.20380       
24.27652  0.7408369E-01  24.84759  79.81519 15.51601 39.35641 16.99487 
40.45878       23.01244 
1 1 1 3   30 14 o 136.4917 7.374426 192.4154       20.39254  238.2409       
29.96837  152.8988       27.82912  151.0530 9.809354 120.2421 11.52239 
30.81088       15.13238 
1 1 1 3   30 15 o 190.3159 6.760730 372.7981       26.16496  348.6322       
34.18469  406.9809       40.65692  182.8761 9.221981 197.1010 10.17839 
-14.22498      13.73479 
1 1 1 3   30 16 o 40.20309 15.56916 12.94810       18.14338  22.59066       
26.02570  3.831016       25.30663  49.32620 18.76150 40.46334 17.30640 
8.862854       25.52460 
1 1 1 3   30 17 o 181.7342 9.268422 349.3288       34.13881  349.3288       
34.13881  0.000000       0.000000  181.7342 9.268422 ?        ?        
0.000000       9.268422 
1 1 1 3   30 18 o 36.32899 14.77094 9.434990       17.10322  5.890067       
25.27111  12.43104       23.23248  39.52678 17.10364 41.16817 17.02803 
-1.641384      24.13479 
1 1 1 3   30 19 o 80.31383 12.37753 74.73457       19.56568  64.21410       
33.75590  80.05727       24.01035  65.67067 21.72270 80.82028 15.16627 
-15.14961      26.49323 
1 1 1 3   31 0  o 109.1194 4.319222 121.1878       9.584269  122.6574       
13.46825  119.6801       13.64182  109.5586 6.068929 108.2020 6.226177 
1.356583       8.694663 
1 1 1 3   31 1  o 83.46362 5.275572 71.22285       8.907948  74.80743       
12.61237  67.65486       12.58317  85.33331 7.339617 81.07111 7.726081 
4.262207       10.65656 
1 1 1 3   31 2  o 465.2437 6.595573 2206.653       62.39999  0.000000       
0.000000  2206.653       62.39999  ?        ?        465.2437 6.595573 
0.000000       6.595573 
1 1 1 3   31 3  o 183.6908 3.874964 343.4311       14.47460  333.6211       
20.31725  353.5422       20.62660  180.9531 5.521379 186.2826 5.445076 
-5.329468      7.754642 
1 1 1 3   31 4  o 209.2361 4.969531 445.9858       21.14479  445.9858       
21.14479  0.000000       0.000000  209.2361 4.969531 ?        ?        
0.000000       4.969531 
1 1 1 3   31 5  o 210.2478 4.175837 450.1513       17.85363  448.6921       
21.69312  453.2147       31.43087  209.8283 5.084010 210.6212 7.338427 
-0.7928619     8.927466 
1 1 1 3   31 6  o 234.2051 5.698791 559.5901       27.14129  577.7803       
42.49458  547.0568       35.27337  237.4316 8.801233 231.2844 7.499790 
6.147171       11.56324 
1 1 1 3   31 7  o 141.3156 5.080926 203.6736       14.60106  186.8105       
17.77973  238.6015       25.58842  135.2108 6.466396 152.3457 8.290866 
-17.13484      10.51441 
1 1 1 3   31 8  f 132.4202 6.110928 179.1990       16.45557  188.2330       
21.95923  167.6285       24.85163  135.2388 8.020623 127.2357 9.677485 
8.003098       12.56917 
1 1 1 3   31 9  o 167.9252 4.717445 287.6977       16.10920  292.5321       
19.19501  276.1818       29.62543  169.2153 5.578241 163.5739 8.940195 
5.641418       10.53773 
1 1 1 3   31 10 o 190.5442 4.751249 370.5830       18.41005  377.3306       
21.68122  353.1445       34.85479  192.1367 5.549091 184.7791 9.305786 
7.357666       10.83467 
1 1 1 3   31 11 o 84.75726 9.554077 75.20419       16.17983  75.20419       
16.17983  0.000000       0.000000  84.75726 9.554077 ?        ?        
0.000000       9.554077 
1 1 1 3   31 12 o 139.6496 8.022297 201.6687       22.68623  272.5073       
42.25713  172.9841       26.88993  160.3151 13.07596 128.5659 10.37351 
31.74918       16.69103 
1 1 1 3   31 13 o 49.59507 16.18921 26.04376       18.77174  -22.15319      
28.87984  61.30372       24.70164  35.45446 16.49959 73.89693 16.81623 
-38.44247      23.55890 
1 1 1 3   31 14 o 141.1116 7.178620 205.6358       20.53145  210.1450       
28.91209  201.0485       29.16123  141.5961 10.10740 138.3436 10.44258 
3.252502       14.53296 
1 1 1 3   31 15 o 169.9141 6.630031 297.3656       22.90848  273.6863       
31.69149  323.2790       33.15286  161.5702 9.690377 175.8462 9.304318 
-14.27605      13.43405 
1 1 1 3   31 16 o 102.0521 9.970482 110.7413       20.42706  67.17291       
28.71361  155.3858       29.06605  75.09637 18.83554 119.8841 12.08763 
-44.78773      22.38054 
1 1 1 3   31 17 o 81.81342 10.79979 73.03692       17.52846  71.86441       
27.24084  73.86542       22.89873  76.99139 17.76097 80.16647 14.58372 
-3.175079      22.98123 
1 1 1 3   31 18 o 55.01059 14.62299 36.57019       16.63920  26.98149       
24.25999  45.08764       22.86471  48.18022 18.16445 59.31732 17.64924 
-11.13710      25.32673 
1 1 1 3   32 0  o 87.76380 4.998681 78.69552       8.884258  59.42672       
12.14865  100.8466       13.02561  75.87997 7.993412 99.24651 6.489774 
-23.36654      10.29620 
1 1 1 3   32 1  o 237.0780 3.629161 571.9940       17.49641  535.1156       
24.10604  613.0497       25.43472  229.2028 5.171951 245.3325 5.098241 
-16.12968      7.262310 
1 1 1 3   32 2  o 281.1715 3.774233 804.6700       21.58000  767.4147       
29.84752  845.4757       31.23736  274.4411 5.348200 288.0629 5.332559 
-13.62183      7.552445 
1 1 1 3   32 3  o 357.1527 4.089198 1298.725       29.69912  1251.516       
41.21906  1349.694       42.82899  350.3640 5.785316 363.8466 5.788527 
-13.48257      8.183943 
1 1 1 3   32 4  f 203.0469 5.575816 420.3836       23.02270  420.3836       
23.02270  0.000000       0.000000  203.0469 5.575816 ?        ?        
0.000000       5.575816 
1 1 1 3   32 5  o 222.6196 4.137720 504.8022       18.73165  528.5439       
23.04640  458.5897       32.15339  227.7041 4.977151 211.7607 7.466721 
15.94336       8.973515 
1 1 1 3   32 6  o 122.5657 6.992553 154.1187       17.35610  183.6844       
29.54880  138.5456       21.44535  133.0164 11.02338 115.8010 9.182163 
17.21539       14.34667 
1 1 1 3   32 7  o 139.9218 5.057672 199.7503       14.39088  201.8830       
17.75958  195.6722       24.55814  140.5438 6.213978 137.7323 8.814392 
2.811478       10.78457 
1 1 1 3   32 8  o 43.86359 12.48842 20.54075       11.67481  11.06855       
14.56400  37.57135       19.52856  37.40120 14.07943 58.68027 15.94825 
-21.27908      21.27385 
1 1 1 3   32 9  o 49.92661 11.89463 26.95767       11.90426  12.89472       
14.37216  57.68937       21.24601  38.50975 14.07895 72.76753 14.86028 
-34.25779      20.47058 
1 1 1 3   32 10 o 82.53931 7.859725 70.68139       13.03294  79.65482       
15.51677  49.18725       24.01496  87.44511 8.847740 66.46432 17.51993 
20.98079       19.62729 
1 1 1 3   32 11 o 99.17989 8.549509 102.2612       17.07466  102.2612       
17.07466  0.000000       0.000000  99.17989 8.549509 ?        ?        
0.000000       8.549509 
1 1 1 3   32 12 o 169.9935 6.214631 296.4723       21.48321  312.8463       
27.38349  270.2623       34.64537  174.1994 7.730199 160.5898 10.66975 
13.60963       13.17572 
1 1 1 3   32 13 o 81.81121 12.32152 72.03748       19.86291  59.19680       
31.35343  80.64594       25.67164  71.46261 20.50512 85.46496 15.33460 
-14.00235      25.60488 
1 1 1 3   32 14 o 107.1702 8.999892 120.1782       19.43224  116.7535       
27.37475  123.6568       27.58918  103.9482 13.25181 107.1681 12.92019 
-3.219910      18.50788 
1 1 1 3   32 15 o 127.0357 7.995243 168.1552       20.54885  141.4496       
29.49440  193.3450       28.64515  114.2443 12.92284 135.0993 10.50939 
-20.85501      16.65674 
1 1 1 3   32 16 o 57.88682 15.35568 38.78592       18.37295  27.22003       
26.68863  49.20508       25.33104  51.14053 19.09686 64.01077 18.44953 
-12.87025      26.55325 
1 1 1 3   32 17 o 156.6855 9.869231 264.4889       31.28516  264.4889       
31.28516  0.000000       0.000000  156.6855 9.869231 ?        ?        
0.000000       9.869231 
1 1 1 3   32 18 o 28.25345 12.80486 -4.609524      15.87280  14.00993       
24.14984  -18.77052      21.06093  41.26488 17.23830 28.21084 13.42046 
13.05404       21.84646 
1 1 1 3   33 0  o 113.3714 4.252527 130.8689       9.803970  134.8013       
13.71496  126.7597       14.01988  114.8384 5.892790 111.3165 6.218317 
3.521889       8.566938 
1 1 1 3   33 1  o 136.0647 3.992752 188.4843       11.04763  198.4153       
15.69223  178.7249       15.55609  139.5202 5.530903 132.4015 5.777713 
7.118713       7.998303 
1 1 1 3   33 2  o 336.2065 3.978221 1150.894       27.19860  1136.809       
38.23723  1165.320       38.69613  333.9108 5.631246 338.0727 5.628674 
-4.161835      7.961966 
1 1 1 3   33 3  o 103.3517 4.819570 108.8495       10.12925  104.5541       
14.45854  112.9897       14.19494  100.9161 7.090529 104.9809 6.684014 
-4.064880      9.744313 
1 1 1 3   33 4  o 175.4217 5.240103 313.8096       18.69281  313.8096       
18.69281  0.000000       0.000000  175.4217 5.240103 ?        ?        
0.000000       5.240103 
1 1 1 3   33 5  o 83.57724 6.662268 71.84818       11.22894  54.14721       
14.30739  100.2393       18.11980  71.86669 10.06616 98.38214 9.162389 
-26.51545      13.61165 
1 1 1 3   33 6  o 28.37940 12.06545 0.3839278      12.16711  1.956491       
18.93551  -0.7219296     15.87898  35.84291 15.13558 31.71486 13.64050 
4.128046       20.37520 
1 1 1 3   33 7  o 105.3335 5.935995 113.7692       12.66303  108.4927       
15.79672  123.2563       21.18170  102.5699 7.628056 108.9227 9.663267 
-6.352875      12.31121 
1 1 1 3   33 8  o 77.94154 7.766141 62.99272       12.14518  77.71450       
14.91689  34.04202       20.91835  86.47890 8.596279 56.12948 16.92248 
30.34941       18.98068 
1 1 1 3   33 9  o 193.3227 4.538937 381.4543       17.84385  363.8905       
20.94833  427.8912       34.06209  188.6591 5.460346 203.8710 8.216074 
-15.21193      9.865051 
1 1 1 3   33 10 o 98.23461 7.028943 99.60540       13.94848  107.5755       
16.63227  80.71151       25.60825  101.8671 8.095860 85.97018 15.20431 
15.89693       17.22539 
1 1 1 3   33 11 o 52.81083 12.44179 30.48094       13.14190  19.68575       
15.25849  61.49697       25.86363  43.82749 14.60993 73.86422 17.48932 
-30.03673      22.78873 
1 1 1 3   33 12 o 87.65466 9.849911 80.95634       17.25333  108.8263       
22.19349  38.38385       27.42976  101.4038 10.93573 59.16571 19.58220 
42.23805       22.42883 
1 1 1 3   33 13 o 39.28996 15.91852 8.827682       19.78476  12.53469       
31.77168  6.479705       25.28573  48.12885 19.91053 41.91254 17.58317 
6.216309       26.56308 
1 1 1 3   33 14 o 107.9226 9.120328 122.2109       19.82845  104.0659       
28.26348  139.7972       27.82499  97.11778 14.77723 114.1570 12.17399 
-17.03918      19.14608 
1 1 1 3   33 15 o 155.6683 6.957477 250.8127       22.02436  263.7063       
32.21840  239.5019       30.17612  157.8065 10.09271 150.4657 9.917828 
7.340820       14.15013 
1 1 1 3   33 16 o 37.05262 14.78217 10.13857       16.77965  29.33960       
25.88404  -3.779557      22.03739  51.52440 18.88540 34.52639 15.41197 
16.99801       24.37596 
1 1 1 3   33 17 o 38.98471 14.84614 14.91393       16.30898  49.38353       
25.12167  -10.19678      21.44174  61.77375 18.52708 31.25731 14.43139 
30.51644       23.48441 
1 1 1 3   33 18 o 34.18525 14.18284 8.268043       16.18795  -15.75848      
23.35018  30.50166       22.46207  30.38794 14.35986 48.64435 17.62870 
-18.25641      22.73712 
1 1 1 3   34 0  o 119.2718 4.131412 144.8721       10.02046  146.3674       
13.94607  143.2764       14.40733  119.7986 5.724648 118.3580 6.005646 
1.440559       8.296949 
1 1 1 3   34 1  o 79.98415 5.328127 65.51426       8.616632  41.22015       
12.25696  89.25199       12.11579  62.61898 9.959038 93.28481 6.426086 
-30.66583      11.85230 
1 1 1 3   34 2  o 34.78570 10.23119 12.64185       7.719890  5.371994       
11.48987  18.62441       10.42307  30.93025 12.26597 41.91185 11.75385 
-10.98160      16.98844 
1 1 1 3   34 3  o 163.1106 3.928041 270.9856       13.02896  270.9637       
19.06088  271.0048       17.85011  162.9410 5.752562 162.9910 5.385499 
-0.5003357E-01 7.880074 
1 1 1 3   34 4  o 323.6778 4.988570 1068.548       32.83525  1068.548       
32.83525  0.000000       0.000000  323.6778 4.988570 ?        ?        
0.000000       4.988570 
1 1 1 3   34 5  o 116.4718 5.464251 138.5011       12.94204  137.7653       
17.07272  139.4951       19.84389  115.7525 7.290301 116.2589 8.451435 
-0.5063858     11.16133 
1 1 1 3   34 6  o 282.2827 4.907240 813.1913       28.16911  792.1959       
36.42400  844.4357       44.43363  278.2458 6.437359 286.9113 7.615749 
-8.665558      9.971922 
1 1 1 3   34 7  o 195.7367 5.009543 391.2117       19.93985  383.1315       
25.83156  403.1248       31.36568  193.4102 6.567798 198.1009 7.786044 
-4.690689      10.18619 
1 1 1 3   34 8  o 76.77618 7.815363 61.21803       12.03176  43.17707       
14.78001  96.66145       20.71633  63.37376 11.90585 95.89989 10.81157 
-32.52613      16.08226 
1 1 1 3   34 9  o 36.37517 12.76871 12.46940       11.68987  21.29353       
14.28361  -5.429848      20.34320  44.91935 14.06652 33.66286 14.92999 
11.25648       20.51271 
1 1 1 3   34 10 o 211.3385 4.609246 456.3135       19.80888  470.6989       
23.65984  422.5930       36.22421  214.4460 5.425533 202.0983 8.814237 
12.34766       10.35023 
1 1 1 3   34 11 o 72.17889 9.701788 55.11519       13.87952  71.00813       
16.62111  18.50181       25.22772  81.92716 10.19723 47.56482 18.37597 
34.36235       21.01570 
1 1 1 3   34 12 o 219.9123 5.597476 495.9142       25.03187  519.6600       
32.03631  458.6917       40.10994  224.5749 7.015034 209.8914 9.397360 
14.68349       11.72694 
1 1 1 3   34 13 o 134.6721 6.528526 186.7094       17.87904  196.8288       
21.58415  164.5861       31.91409  137.7250 7.738095 123.6910 12.87676 
14.03397       15.02295 
1 1 1 3   34 14 o 67.06798 15.02717 50.87615       19.98667  44.29886       
27.76892  57.94582       28.78955  61.73384 19.64893 69.89292 19.51092 
-8.159084      27.69037 
1 1 1 3   34 15 o 151.0882 7.112762 237.0486       21.85346  259.2804       
32.84660  219.3920       29.27223  155.8618 10.42343 143.5373 10.09279 
12.32449       14.50904 
1 1 1 3   34 16 o 133.5737 11.03232 194.6939       29.69853  194.6939       
29.69853  0.000000       0.000000  133.5737 11.03232 ?        ?        
0.000000       11.03232 
1 1 1 3   34 17 o 113.3100 7.998992 137.4424       18.31287  118.2204       
27.21396  153.3498       24.75670  100.4165 13.68335 117.6855 10.45354 
-17.26899      17.21949 
1 1 1 3   35 0  o 236.7010 3.596534 570.4858       17.31154  570.5784       
24.37873  570.3916       24.58702  236.5531 5.067935 236.5084 5.112200 
0.4463196E-01  7.198510 
1 1 1 3   35 1  o 64.27578 6.298871 42.59849       8.127263  41.48769       
11.64308  43.65406       11.34990  62.88815 9.392143 64.64481 8.867558 
-1.756657      12.91689 
1 1 1 3   35 2  o 222.5327 3.653322 504.3383       16.53230  554.0980       
24.17760  460.6415       22.65683  233.0710 5.101213 212.4895 5.243369 
20.58157       7.315415 
1 1 1 3   35 3  o 109.4650 4.626027 122.1803       10.29758  130.1504       
15.30661  115.5906       13.91815  112.6063 6.714979 106.1335 6.479826 
6.472794       9.331618 
1 1 1 3   35 4  o 67.41380 9.980654 47.83829       13.26884  47.83829       
13.26884  0.000000       0.000000  67.41380 9.980654 ?        ?        
0.000000       9.980654 
1 1 1 3   35 5  f 275.4371 4.477680 773.8167       25.07996  749.0238       
30.86054  822.0427       43.04092  270.7467 5.605172 283.0932 7.476541 
-12.34647      9.344336 
1 1 1 3   35 6  o 127.0996 6.150367 165.3267       15.89633  182.9514       
22.65041  148.2202       22.31495  133.0712 8.413610 119.5132 9.253948 
13.55798       12.50697 
1 1 1 3   35 7  o 100.9330 6.753831 104.9279       13.78230  105.3904       
18.79195  104.3896       20.27460  100.5878 9.292054 99.88409 10.12146 
0.7036591      13.73995 
1 1 1 3   35 8  o 80.14355 7.323567 66.55642       11.80365  63.02945       
14.70657  72.94179       19.78807  77.46390 9.537440 82.66393 12.13266 
-5.200027      15.43257 
1 1 1 3   35 9  o 174.2411 5.527624 310.8184       19.58577  316.9898       
25.37720  301.7271       30.80093  175.5700 7.107909 170.5223 8.913372 
5.047714       11.40046 
1 1 1 3   35 10 o 117.0984 6.096366 141.0835       14.46671  145.1318       
17.47432  132.2639       25.79199  118.4748 7.288442 111.6848 11.52187 
6.790062       13.63359 
1 1 1 3   35 11 o 170.4528 5.200578 297.5956       18.02633  297.7954       
21.25548  297.0838       34.02032  170.2646 6.138965 168.3872 9.979728 
1.877365       11.71673 
1 1 1 3   35 12 o 40.68806 14.90295 15.23527       16.11440  21.12046       
21.26376  7.295309       24.69840  46.87683 17.12692 41.73885 17.43436 
5.137978       24.43948 
1 1 1 3   35 13 o 50.34343 14.38949 28.25323       15.46859  20.83171       
18.66950  44.50426       27.62656  45.47950 16.11973 62.03596 19.58296 
-16.55647      25.36411 
1 1 1 3   35 14 o 105.5786 10.19117 118.7599       21.60830  71.33706       
27.91870  189.6082       34.12450  77.81302 18.00147 131.9504 12.88188 
-54.13736      22.13585 
1 1 1 3   35 15 f 34.52141 14.51918 4.751352       17.31216  -8.468362      
25.72454  15.69510       23.40560  35.66203 16.21631 43.62322 17.43996 
-7.961189      23.81430 
1 1 1 3   35 16 o 49.35049 15.10071 29.11636       16.56934  18.05417       
25.95997  36.72081       21.52374  44.64763 18.18059 54.34871 17.29895 
-9.701080      25.09556 
1 1 1 3   35 17 o 52.27344 14.59149 34.07277       16.10246  43.23285       
23.65911  26.16796       21.97831  56.37529 18.15721 46.17242 17.31253 
10.20287       25.08800 
1 1 1 3   36 0  o 19.90697 8.816398 -2.351918      7.069183  -13.68367      
9.818899  9.842674       10.18587  18.80476 9.005100 33.27602 11.89464 
-14.47126      14.91892 
1 1 1 3   36 1  o 280.0317 3.726277 798.8307       21.21943  829.6103       
30.53854  770.0977       29.50573  285.1078 5.267297 274.6884 5.282198 
10.41940       7.459627 
1 1 1 3   36 2  o 79.00099 5.464540 64.03015       8.724912  50.23050       
12.44452  77.37102       12.23590  69.31674 9.044054 86.65122 7.003885 
-17.33448      11.43894 
1 1 1 3   36 3  o 239.8897 3.737180 586.3724       18.23086  569.0801       
25.80562  603.6024       25.75909  236.0565 5.375846 243.1437 5.209740 
-7.087204      7.486061 
1 1 1 3   36 4  o 85.17588 7.835237 75.12241       13.41910  75.12241       
13.41910  0.000000       0.000000  85.17588 7.835237 ?        ?        
0.000000       7.835237 
1 1 1 3   36 5  o 187.4709 4.513747 358.6483       17.20768  350.0071       
21.76463  373.0559       28.10339  184.9828 5.785867 190.6536 7.248737 
-5.670761      9.274721 
1 1 1 3   36 6  o 131.0276 5.951514 175.7567       15.85776  161.1458       
22.42833  190.3623       22.42418  124.6361 8.907855 135.7218 8.162815 
-11.08574      12.08228 
1 1 1 3   36 7  o 74.38387 8.621799 57.85621       12.79969  50.02652       
17.68910  66.46114       18.54416  67.83347 13.29897 78.87914 11.93389 
-11.04566      17.86842 
1 1 1 3   36 8  o 41.29602 12.46112 18.15914       11.33904  18.22016       
14.55048  18.06478       18.09429  42.41836 14.26713 43.91117 15.83615 
-1.492813      21.31513 
1 1 1 3   36 9  o 71.81335 8.836801 54.21080       12.63253  51.86838       
15.50145  58.84204       21.79658  69.49693 11.36137 72.80344 15.21284 
-3.306503      18.98713 
1 1 1 3   36 10 o 126.6803 5.981821 164.7717       15.40969  140.5742       
18.35105  222.6343       28.37755  116.3665 7.800129 145.8395 9.622681 
-29.47292      12.38701 
1 1 1 3   36 11 f 73.29519 9.733953 57.04335       14.14943  59.75049       
17.07143  51.10226       25.28989  74.38874 11.66918 66.54045 18.17580 
7.848289       21.59929 
1 1 1 3   36 12 o 88.65736 10.25348 83.55103       18.14469  73.29938       
24.03771  97.12865       27.66356  80.94762 15.15998 93.51584 15.05816 
-12.56822      21.36757 
1 1 1 3   36 13 o 95.01684 8.668324 94.96857       16.56456  109.3385       
20.65068  69.03976       27.73948  101.4018 10.15103 76.73042 18.07535 
24.67140       20.73069 
1 1 1 3   36 14 o 22.49102 10.95116 -26.41855      16.08444  -27.43473      
19.33734  -24.13692      28.97561  25.46799 12.30739 34.07775 16.07064 
-8.609758      20.24197 
1 1 1 3   36 15 o 50.35329 15.12733 29.80578       16.73746  23.63368       
25.60524  34.41066       22.11677  47.85550 18.50603 53.47530 17.57821 
-5.619804      25.52385 
1 1 1 3   36 16 f 24.25171 11.57309 -16.90399      15.91871  28.51093       
24.75908  -48.90665      20.78396  48.61876 18.34539 22.25712 11.12129 
26.36164       21.45312 
1 1 1 3   36 17 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 3   37 0  o 141.3137 3.812591 203.4956       10.95610  239.6641       
15.80079  170.0036       15.20491  153.2279 5.070951 128.9746 5.797333 
24.25327       7.702183 
1 1 1 3   37 1  o 102.8197 4.413412 107.8231       9.227889  93.12982       
12.82739  123.5836       13.28505  95.14123 6.672283 109.7779 5.973576 
-14.63671      8.955611 
1 1 1 3   37 2  o 51.15374 7.770376 27.46336       7.828719  18.51213       
11.45494  35.30886       10.72412  41.84610 12.50164 57.78494 9.453285 
-15.93884      15.67340 
1 1 1 3   37 3  o 161.0176 3.887404 264.3145       12.72871  281.4722       
18.62263  249.2703       17.43795  165.9384 5.518774 156.1622 5.491210 
9.776199       7.785259 
1 1 1 3   37 4  o 290.6803 5.605193 864.1865       33.13276  864.1865       
33.13276  0.000000       0.000000  290.6803 5.605193 ?        ?        
0.000000       5.605193 
1 1 1 3   37 5  o 36.62832 11.64719 13.81954       9.758932  19.86621       
12.64361  4.908525       15.34887  43.27342 13.18105 33.98323 13.92482 
9.290192       19.17395 
1 1 1 3   37 6  o 200.2883 4.282111 409.4894       17.44074  412.8786       
21.30050  402.5950       30.37998  200.9252 5.213196 197.7761 7.553745 
3.149109       9.178043 
1 1 1 3   37 7  o 107.7036 5.707110 119.1626       12.45506  107.1641       
15.50163  141.0162       20.92061  101.7236 7.547656 116.3780 8.907635 
-14.65434      11.67532 
1 1 1 3   37 8  o 215.9784 4.466515 476.6800       19.61691  472.1274       
23.69290  486.6041       34.98154  214.6882 5.426986 217.0481 7.925588 
-2.359940      9.605577 
1 1 1 3   37 9  o 128.2136 5.655663 168.6241       14.74582  154.2473       
17.84630  199.5598       26.17860  122.0853 7.220530 138.1297 9.375342 
-16.04440      11.83356 
1 1 1 3   37 10 o 164.7852 5.153570 278.2961       17.26942  278.8661       
20.70919  276.9948       31.29007  164.6674 6.184492 162.6078 9.504034 
2.059616       11.33907 
1 1 1 3   37 11 o 29.14491 12.54359 0.2743206E-01  13.44545  -1.109210      
16.45343  2.312214       23.32743  31.52311 13.72045 38.57200 16.55975 
-7.048891      21.50526 
1 1 1 3   37 12 o 56.18287 15.80388 35.96801       18.81384  20.37004       
28.38297  48.19271       25.12713  49.09450 19.33885 64.14886 18.34113 
-15.05437      26.65311 
1 1 1 3   37 13 o 28.56434 12.76974 -4.526162      15.18972  0.1204871      
18.79500  -13.27634      25.79176  33.83470 14.69531 34.67756 15.94416 
-0.8428612     21.68336 
1 1 1 3   37 14 o 61.10183 13.75718 42.89162       16.68195  19.62031       
19.78796  100.0628       31.01554  44.11232 16.44935 91.66862 17.27182 
-47.55631      23.85155 
1 1 1 3   37 15 o 64.48269 12.56451 47.76813       15.88333  67.95856       
18.67718  -4.984522      30.18984  77.38162 12.27932 38.52551 17.53732 
38.85611       21.40886 
1 1 1 3   37 16 o 40.83375 14.93261 19.11928       16.16943  16.66931       
24.08925  21.12827       21.81376  41.84131 17.32547 43.33880 16.99095 
-1.497494      24.26653 
1 1 1 3   37 17 o 84.68688 9.817337 81.39169       16.59321  87.75689       
24.87804  76.29086       22.27055  82.17604 15.45469 77.30808 14.70357 
4.867958       21.33173 
1 1 1 3   38 0  o 107.8236 4.284162 118.5932       9.393584  111.4203       
13.02673  126.3634       13.55828  104.1506 6.178274 110.9626 6.031301 
-6.811958      8.634098 
1 1 1 3   38 1  o 141.0011 3.890082 202.7050       11.15405  231.3959       
16.33402  177.6360       15.26829  150.4667 5.338277 131.7868 5.697272 
18.67993       7.807440 
1 1 1 3   38 2  o 105.6758 4.485943 113.9811       9.640085  104.7994       
13.60572  123.2371       13.66073  100.8828 6.669765 109.5289 6.158286 
-8.646072      9.078009 
1 1 1 3   38 3  o 89.70600 7.563789 83.32352       13.66917  83.32352       
13.66917  0.000000       0.000000  89.70600 7.563789 ?        ?        
0.000000       7.563789 
1 1 1 3   38 4  o 154.0807 4.659394 242.4976       14.59920  264.5290       
18.92064  210.0809       22.95091  160.7283 5.788846 142.5794 7.947347 
18.14888       9.832145 
1 1 1 3   38 5  o 162.6175 4.461431 270.0790       14.75342  262.7355       
18.23002  284.0182       25.11625  160.1874 5.596383 166.1062 7.435627 
-5.918747      9.306345 
1 1 1 3   38 6  o 29.30229 11.91032 4.009395       11.11579  14.22127       
15.99759  -5.523433      15.45656  40.15505 14.82641 28.81280 12.88107 
11.34225       19.64038 
1 1 1 3   38 7  o 100.1795 6.134129 103.4095       12.43616  106.2771       
15.78437  98.71571       20.19408  101.1764 7.730293 96.66647 10.43869 
4.509903       12.98937 
1 1 1 3   38 8  o 107.4205 6.066966 118.9070       13.19867  121.8054       
16.37130  113.5251       22.30888  108.3571 7.475480 103.4918 10.75755 
4.865280       13.09991 
1 1 1 3   38 9  o 79.26258 8.221664 65.84921       13.05917  55.78574       
16.02329  85.75837       22.53741  71.90532 11.33350 88.85317 12.84618 
-16.94785      17.13104 
1 1 1 3   38 10 o 61.97140 11.22850 41.75595       13.62923  42.95409       
16.92177  39.54341       22.99530  62.01504 13.77642 58.75990 17.74881 
3.255138       22.46798 
1 1 1 3   38 11 o 116.2501 6.781365 140.0508       15.96146  132.7306       
19.33984  155.6882       28.26676  112.5508 8.512875 120.4338 11.68909 
-7.883003      14.46042 
1 1 1 3   38 12 o 71.54581 13.51633 57.18573       18.94434  38.26497       
27.92898  73.30968       25.78228  57.71751 19.76457 79.70144 16.45288 
-21.98392      25.71645 
1 1 1 3   38 13 o 32.77192 13.66001 4.582176       15.11674  12.37565       
18.98275  -8.927209      24.99261  39.74422 15.76458 35.10333 15.97062 
4.640892       22.44065 
1 1 1 3   38 14 o 92.34725 8.927326 91.42068       16.55561  81.43605       
19.73979  115.1002       30.39927  85.60789 11.64095 98.92726 15.63029 
-13.31937      19.48892 
1 1 1 3   38 15 o 91.71226 8.939441 91.43369       16.46010  101.6395       
19.04428  61.29609       32.72613  96.05833 9.890806 65.11781 21.38154 
30.94052       23.55840 
1 1 1 3   38 16 o 61.85460 12.57578 46.08884       15.27933  51.46526       
16.98227  23.24254       35.00720  64.85169 13.32295 45.94096 20.00453 
18.91074       24.03502 
1 1 1 3   39 0  o 120.4566 4.057231 148.0247       9.938291  156.1725       
13.99240  139.7298       14.11818  123.5452 5.569484 116.6567 5.971395 
6.888496       8.165581 
1 1 1 3   39 1  o 133.5737 3.943080 181.9996       10.71046  187.6086       
15.20122  176.4700       15.09311  135.4063 5.520622 131.3051 5.652567 
4.101181       7.901188 
1 1 1 3   39 2  o 97.22786 4.692129 96.57502       9.277097  83.47296       
13.25023  109.1736       12.99314  89.80077 7.319589 103.0056 6.232346 
-13.20483      9.613455 
1 1 1 3   39 3  o 117.6546 4.873634 141.5007       11.66040  135.0489       
15.20535  150.7116       18.16792  114.5126 6.556936 120.7782 7.433258 
-6.265610      9.911949 
1 1 1 3   39 4  o 213.0254 4.332279 463.4571       18.76719  474.1741       
24.05262  446.7790       30.00537  215.1843 5.496679 208.3883 7.080668 
6.795929       8.963779 
1 1 1 3   39 5  o 58.14575 9.026481 35.85025       10.32697  47.12833       
13.42756  19.52011       16.15751  66.49672 10.26003 43.94897 15.03313 
22.54775       18.20064 
1 1 1 3   39 6  o 97.60812 6.872665 98.56258       13.55443  78.54128       
18.53451  121.5804       19.87315  85.93185 10.84830 107.7850 9.153435 
-21.85319      14.19405 
1 1 1 3   39 7  o 63.22619 8.891735 42.32513       11.11642  42.05572       
14.28255  42.73914       17.70509  62.17537 11.72630 61.88460 14.34828 
0.2907677      18.53050 
1 1 1 3   39 8  o 52.13989 11.64600 29.85473       12.03637  32.52930       
15.16829  25.30705       19.77905  53.97562 13.77376 48.87844 16.63320 
5.097183       21.59583 
1 1 1 3   39 9  o 37.58437 13.07768 14.00071       12.24959  -6.438636      
15.67672  46.04612       19.62930  28.42517 12.81820 63.66246 15.34289 
-35.23729      19.99276 
1 1 1 3   39 10 o 121.4303 6.359274 152.4712       15.64851  151.4821       
19.30036  154.3691       26.73408  120.4834 7.921633 120.1959 11.06179 
0.2874603      13.60571 
1 1 1 3   39 11 o 88.66746 8.454219 82.80022       15.05900  102.2535       
19.17718  51.51100       24.32125  98.08754 9.743267 66.10165 17.72826 
31.98589       20.22924 
1 1 1 3   39 12 o 213.4034 6.710969 472.1788       29.12313  528.0255       
42.53306  422.8849       39.95991  223.6425 9.352355 199.7500 9.837532 
23.89243       13.57364 
1 1 1 3   39 13 o 148.2897 7.573794 230.9589       22.76276  204.6788       
30.81765  262.5097       33.76692  137.0467 11.15487 155.6709 10.73233 
-18.62419      15.47947 
1 1 1 3   39 14 o 133.8492 6.690492 187.6886       18.21064  174.0593       
21.15410  226.6968       35.78795  127.7422 8.186545 141.5543 12.56317 
-13.81212      14.99509 
1 1 1 3   39 15 o 72.60359 10.87064 60.13238       15.55590  61.32382       
17.64274  55.97085       32.97287  72.14701 12.47679 60.45332 21.42297 
11.69369       24.79141 
1 1 1 3   39 16 o 52.40781 14.66328 36.15814       16.24141  36.15814       
16.24141  0.000000       0.000000  52.40781 14.66328 ?        ?        
0.000000       14.66328 
1 1 1 3   40 0  o 119.1133 4.085967 144.8150       9.897069  153.9338       
14.02109  135.7597       13.97217  122.5958 5.624123 114.9216 5.999568 
7.674232       8.223477 
1 1 1 3   40 1  o 34.79849 10.05943 12.88823       7.520625  17.61303       
10.84505  8.511319       10.43816  40.63028 12.17014 32.09079 11.95088 
8.539486       17.05684 
1 1 1 3   40 2  o 190.2912 3.744848 369.4342       14.49120  406.9477       
21.20375  336.5566       19.85042  199.3974 5.229278 181.2980 5.384252 
18.09941       7.505699 
1 1 1 3   40 3  o 133.0185 6.042177 181.5669       16.34394  181.5669       
16.34394  0.000000       0.000000  133.0185 6.042177 ?        ?        
0.000000       6.042177 
1 1 1 3   40 4  o 51.42176 9.425878 28.32493       9.493211  30.49569       
12.61674  25.49221       14.41264  52.77454 12.02452 48.22973 13.92100 
4.544807       18.39520 
1 1 1 3   40 5  o 161.8389 5.350142 268.4526       17.60758  278.1064       
25.60096  259.7870       24.25525  164.0321 7.674958 158.5888 7.521109 
5.443314       10.74579 
1 1 1 3   40 6  o 54.56131 11.21010 32.45465       12.02186  42.24719       
17.25656  23.22046       16.75738  61.53315 14.09390 46.65530 15.29918 
14.87785       20.80152 
1 1 1 3   40 7  o 87.47760 6.892641 79.46478       12.16190  84.49613       
15.53400  71.49640       19.54908  89.70763 8.621542 81.15141 12.22559 
8.556221       14.95982 
1 1 1 3   40 8  o 58.40821 10.44132 36.95319       11.94651  30.50485       
15.19993  47.37344       19.32220  52.11430 14.03113 64.64368 14.99006 
-12.52938      20.53228 
1 1 1 3   40 9  o 49.68649 12.72949 27.56157       12.91955  4.826075       
16.13909  68.12451       21.55716  34.05235 14.14734 78.10629 14.09076 
-44.05393      19.96739 
1 1 1 3   40 10 o 37.26664 13.65035 12.95245       13.51959  16.39702       
17.00727  7.038976       22.28376  41.48835 15.29295 39.50418 16.53563 
1.984169       22.52336 
1 1 1 3   40 11 o 77.28090 9.923876 64.17478       15.23537  55.21939       
18.89586  80.81271       25.75573  69.91915 13.77980 83.84677 15.68205 
-13.92762      20.87605 
1 1 1 3   40 12 o 35.61907 14.68620 7.197043       17.20576  -19.61662      
22.81169  42.58103       26.20492  30.23222 14.25778 58.94299 19.12223 
-28.71077      23.85254 
1 1 1 3   40 13 o 57.48882 15.79149 40.17505       19.02755  52.92862       
26.53973  26.68610       27.29417  64.01336 19.00757 49.24772 19.08920 
14.76564       26.93854 
1 1 1 3   40 14 o 30.12557 13.09513 1.632823       14.94919  0.3918925      
17.22936  5.412446       30.06905  31.34953 13.82988 40.49816 18.04564 
-9.148626      22.73567 
1 1 1 3   40 15 o 44.06279 14.14384 24.52715       14.36526  17.32346       
15.99704  54.53155       32.64786  38.81916 14.72247 57.85984 21.20950 
-19.04068      25.81849 
1 1 1 3   41 0  o 41.87544 9.313073 18.91851       7.725540  16.52534       
10.77659  21.44874       11.08089  39.48975 12.19410 44.35312 11.99628 
-4.863377      17.10575 
1 1 1 3   41 1  o 119.7117 4.198315 146.3937       10.22029  153.0031       
14.50296  139.8733       14.40487  122.1186 5.840142 116.5599 6.098472 
5.558746       8.443851 
1 1 1 3   41 2  f 118.8193 4.306220 144.2755       10.40483  147.3995       
14.97110  141.3569       14.47093  119.6261 6.175330 117.1616 6.094829 
2.464493       8.676498 
1 1 1 3   41 3  o 83.23169 8.119260 72.39539       13.56721  72.39539       
13.56721  0.000000       0.000000  83.23169 8.119260 ?        ?        
0.000000       8.119260 
1 1 1 3   41 4  o 158.9812 4.295611 258.4030       13.88744  253.4946       
17.37910  267.0740       23.09902  157.2053 5.436365 160.8789 7.060625 
-3.673569      8.911032 
1 1 1 3   41 5  o 139.3656 7.023678 201.0437       19.84145  169.5195       
45.43004  208.4743       22.05624  121.4061 19.02657 141.6789 7.684263 
-20.27279      20.51971 
1 1 1 3   41 6  o 136.0547 4.966689 189.7760       13.74142  198.5996       
17.34280  174.8924       22.52407  138.8795 6.140865 129.2798 8.617076 
9.599670       10.58132 
1 1 1 3   41 7  o 71.87344 8.174299 54.41872       11.73479  50.51343       
14.94882  60.68932       18.94239  68.20860 11.16377 74.12661 13.04260 
-5.918015      17.16797 
1 1 1 3   41 8  o 70.82803 8.915208 53.28511       12.55618  74.64886       
16.34328  22.51020       19.61547  83.67218 9.790301 46.57149 16.52132 
37.10069       19.20428 
1 1 1 3   41 9  o 70.07980 9.856779 52.74633       13.65862  45.50926       
17.07947  65.58633       22.74969  63.55427 13.62458 75.78977 15.28836 
-12.23550      20.47836 
1 1 1 3   41 10 o 152.6959 5.634496 240.3075       17.49580  243.5159       
21.25702  233.5696       30.80495  153.2317 6.821851 147.9128 10.30589 
5.318893       12.35917 
1 1 1 3   41 11 o 33.43133 13.46973 7.269848       14.08100  0.9767724      
17.60068  18.45957       23.46970  32.92871 14.26119 44.98427 17.62738 
-12.05556      22.67391 
1 1 1 3   41 12 o 71.97031 12.71908 58.88108       17.93406  47.30181       
23.47647  75.10771       27.79115  61.57543 17.76529 77.76061 17.94023 
-16.18518      25.24792 
1 1 1 3   41 13 o 79.25539 12.59925 72.40049       19.62640  57.85338       
25.38544  94.01682       30.94477  66.41395 18.23866 85.24222 18.39164 
-18.82827      25.90177 
1 1 1 3   41 14 o 76.90443 10.16893 66.85226       15.51292  83.59624       
17.85677  15.33361       31.32245  85.87323 10.44052 42.97367 18.81148 
42.89956       21.51456 
1 1 1 3   41 15 o 28.63596 12.55465 2.221967       13.99930  -6.559611      
15.48236  41.58355       32.77836  26.20687 12.15691 50.17883 20.43057 
-23.97195      23.77391 
1 1 1 3   42 0  o 105.3549 4.499381 113.5279       9.639600  117.6344       
13.59482  109.3757       13.67040  106.7645 6.289528 102.8664 6.569453 
3.898117       9.094827 
1 1 1 3   42 1  o 186.6854 3.739084 355.8410       14.19472  354.1135       
20.18232  357.5320       19.96814  185.8293 5.340790 186.7484 5.258106 
-0.9191132     7.494779 
1 1 1 3   42 2  o 112.9769 4.817550 130.7066       11.06795  130.0955       
14.85453  131.4692       16.59450  112.1944 6.539177 112.5685 7.288425 
-0.3740921     9.791934 
1 1 1 3   42 3  o 106.2900 5.916674 116.5057       12.73788  117.5423       
14.93981  113.7458       24.37674  106.4856 6.937142 102.8852 11.86893 
3.600349       13.74756 
1 1 1 3   42 4  o 83.78828 6.079442 72.63303       10.28802  62.87004       
13.48108  86.24835       15.92015  77.19454 8.741999 90.55309 8.754786 
-13.35855      12.37210 
1 1 1 3   42 5  o 131.5529 7.123147 179.6274       18.98466  234.3728       
48.29949  169.6239       20.64644  144.0990 16.79804 127.4847 8.004709 
16.61426       18.60778 
1 1 1 3   42 6  o 85.59602 6.910016 76.29498       11.92521  86.66884       
15.44677  60.99003       18.76218  90.74888 8.468210 74.28879 12.88684 
16.46009       15.42016 
1 1 1 3   42 7  o 41.57722 12.54324 18.96340       11.48990  32.29177       
14.85438  -0.8885989     18.12876  53.43273 13.62793 32.86869 14.35167 
20.56404       19.79118 
1 1 1 3   42 8  o 106.5045 6.460172 117.7330       13.92535  116.1417       
17.50015  120.4800       22.99222  105.1081 8.253931 105.8420 10.83521 
-0.7338486     13.62091 
1 1 1 3   42 9  o 130.8329 5.957781 176.7565       15.85086  170.5045       
19.38249  189.3804       27.54216  127.7258 7.495253 133.0957 10.25514 
-5.369934      12.70223 
1 1 1 3   42 10 o 70.22152 10.65169 53.87628       14.73303  46.90040       
18.16156  67.30239       25.19584  63.73426 14.35760 75.14333 16.89866 
-11.40907      22.17443 
1 1 1 3   42 11 o 38.98305 14.24501 15.37231       14.71062  0.3743917      
17.79937  47.69397       26.12979  32.55299 14.21707 61.42849 18.99109 
-28.87550      23.72312 
1 1 1 3   42 12 o 53.29955 15.48391 34.79005       17.77904  38.76789       
22.71863  28.50449       28.55815  55.18886 17.79450 49.74511 19.45797 
5.443748       26.36772 
1 1 1 3   42 13 o 36.62001 14.17043 13.40897       15.02066  -7.749117      
17.82903  65.15387       27.88196  28.53754 13.17003 68.14355 19.26409 
-39.60601      23.33570 
1 1 1 3   42 14 o 27.69772 12.38847 -0.7839571     14.31517  -2.497430      
16.15912  5.464689       30.85831  28.44583 12.90312 38.65038 17.64684 
-10.20454      21.86096 
1 1 1 3   42 15 o 23.07760 10.90592 -9.583279      13.47154  -3.994236      
14.99737  -32.93375      30.65450  26.36034 12.13415 29.49659 14.51725 
-3.136250      18.92057 
1 1 1 3   43 0  o 39.02324 9.978559 16.59221       7.949539  10.31851       
11.15393  23.06883       11.33290  33.89341 12.40113 45.71907 12.02773 
-11.82566      17.27583 
1 1 1 3   43 1  o 95.32314 4.959064 93.40281       9.579603  103.2218       
13.45829  83.31873       13.63873  99.79544 6.670159 89.35760 7.577077 
10.43784       10.09471 
1 1 1 3   43 2  o 46.06973 13.03068 23.52193       12.75389  0.000000       
0.000000  23.52193       12.75389  ?        ?        46.06973 13.03068 
0.000000       13.03068 
1 1 1 3   43 3  o 139.5735 5.120487 199.9544       14.53335  199.0073       
17.00310  202.5229       28.00016  138.9942 6.015612 138.3158 10.02290 
0.6784515      11.68957 
1 1 1 3   43 4  o 114.9556 5.063877 135.6685       11.83763  138.2825       
15.34164  131.8223       18.60951  115.5056 6.558610 112.1609 8.216270 
3.344673       10.51297 
1 1 1 3   43 5  o 132.1212 7.343672 181.8078       19.65260  242.1034       
49.65823  170.6103       21.39978  145.4308 17.11906 127.5578 8.295023 
17.87299       19.02287 
1 1 1 3   43 6  o 79.67999 7.434057 66.56596       11.90644  62.87498       
15.38506  72.07745       18.80026  76.43848 10.14862 81.22012 11.72209 
-4.781631      15.50490 
1 1 1 3   43 7  o 49.48150 12.08720 27.44576       12.05813  38.38320       
15.59174  11.16918       19.02035  58.16622 13.45012 39.23366 15.70861 
18.93256       20.68009 
1 1 1 3   43 8  o 60.44408 11.24213 40.33140       13.30969  36.56407       
17.06195  46.18748       21.27237  56.22003 14.74247 62.48947 16.49736 
-6.269436      22.12472 
1 1 1 3   43 9  o 31.31733 13.00395 4.402280       13.62513  -7.106136      
17.34288  22.95908       22.02242  29.36818 13.33914 46.86629 17.37750 
-17.49812      21.90685 
1 1 1 3   43 10 o 72.12607 10.73655 57.27147       15.26726  52.85549       
18.31624  67.32385       27.63483  67.64375 13.78332 73.32175 18.52681 
-5.678001      23.09162 
1 1 1 3   43 11 o 125.5957 7.316107 166.6067       18.60464  171.1792       
23.53732  158.9930       30.37242  125.9237 9.256636 118.2580 12.83592 
7.665680       15.82549 
1 1 1 3   43 12 o 65.34461 13.70336 51.32846       17.62752  63.41463       
22.26753  31.04075       28.84990  71.07936 15.81358 49.73502 19.52717 
21.34434       25.12727 
1 1 1 3   43 13 o 27.99364 12.38095 0.2430886      13.89483  2.388987       
16.33929  -5.362696      26.40868  30.82381 13.53739 34.23756 15.88049 
-3.413748      20.86746 
1 1 1 3   43 14 o 46.62926 13.76821 28.78354       13.95613  33.56469       
15.69261  10.69574       30.52266  49.69746 14.57855 38.73023 17.63175 
10.96723       22.87822 
1 1 1 3   44 0  o 114.4797 4.485872 134.2611       10.44303  131.8684       
14.32932  136.9716       15.25109  112.8866 6.266752 114.9646 6.550692 
-2.078033      9.065525 
1 1 1 3   44 1  o 187.9833 4.225670 361.7624       16.15349  384.7906       
20.99802  328.3763       25.28310  193.4830 5.336839 178.0544 6.982742 
15.42860       8.788660 
1 1 1 3   44 2  o 86.24474 5.541492 76.84760       9.667308  73.47657       
13.39381  80.51360       13.96750  83.61632 7.973634 87.57607 7.928975 
-3.959747      11.24489 
1 1 1 3   44 3  o 122.3562 6.167486 154.9544       15.29631  154.9544       
15.29631  0.000000       0.000000  122.3562 6.167486 ?        ?        
0.000000       6.167486 
1 1 1 3   44 4  o 44.77417 11.55851 22.32133       10.59601  18.66202       
16.43487  24.92446       13.86164  42.62413 15.12249 47.04609 13.67345 
-4.421967      20.38757 
1 1 1 3   44 5  o 67.92463 9.866726 49.79070       13.22998  40.67817       
21.67783  55.19935       16.70093  58.65256 17.11443 70.64842 12.05758 
-11.99586      20.93535 
1 1 1 3   44 6  o 78.64302 7.643335 65.11823       12.06905  47.68169       
15.48039  92.14343       19.27242  65.47931 12.07062 92.42445 10.43693 
-26.94514      15.95711 
1 1 1 3   44 7  o 22.19525 10.37448 -10.02785      11.61826  -20.60899      
15.15786  5.042127       18.08957  22.89921 11.02346 35.26762 14.83776 
-12.36841      18.48447 
1 1 1 3   44 8  o 31.61085 12.72163 6.410021       12.54467  14.05938       
16.04542  -5.617210      20.11971  38.93845 14.75023 32.26316 14.53773 
6.675293       20.71026 
1 1 1 3   44 9  o 42.15125 13.71906 19.91002       13.48404  21.28292       
17.14219  17.68196       21.83780  43.98466 15.46109 43.40501 17.00490 
0.5796471      22.98286 
1 1 1 3   44 10 o 23.03094 11.22244 -26.49155      16.98143  -26.49155      
16.98143  0.000000       0.000000  23.03094 11.22244 ?        ?        
0.000000       11.22244 
1 1 1 3   44 11 o 62.83938 12.89461 46.56595       15.92510  34.03717       
19.54167  71.33759       27.47798  51.74567 16.48456 73.22546 18.45865 
-21.47979      24.74798 
1 1 1 3   44 12 o 32.69602 14.05584 5.302364       16.84648  9.033940       
21.11106  -1.240011      27.95321  36.68789 15.75223 36.45825 16.70218 
0.2296410      22.95856 
1 1 1 3   44 13 f 44.00460 13.95620 25.37629       14.01886  18.73859       
16.09384  46.25381       28.54240  38.91069 14.76461 52.82666 19.74454 
-13.91596      24.65442 
1 1 1 3   44 14 o 44.67643 13.96789 27.61330       14.09039  35.10157       
15.86232  -0.3987607     30.67952  49.76396 14.67402 34.81284 16.45365 
14.95111       22.04653 
1 1 1 3   45 0  o 22.43986 9.810856 -1.258614      8.496473  1.348450       
10.75896  -5.578685      13.84968  26.83185 11.37395 26.67149 12.03583 
0.1603546      16.55983 
1 1 1 3   45 1  o 36.01317 11.04238 14.00634       8.854826  13.69167       
11.38837  14.48742       14.08114  36.62474 12.61717 38.54872 13.95960 
-1.923981      18.81657 
1 1 1 3   45 2  o 91.49184 6.712387 87.24557       12.40136  86.06901       
14.40877  90.60773       24.35727  90.44182 7.914064 89.93468 13.75558 
0.5071411      15.86973 
1 1 1 3   45 3  o 24.12533 10.35593 0.1716951      9.120510  4.890362       
12.20059  -5.805352      13.73139  30.45571 12.43967 26.38552 11.93840 
4.070189       17.24154 
1 1 1 3   45 4  o 140.5054 5.541228 203.6266       15.83253  186.0739       
22.07059  222.2354       22.72490  132.9627 8.202734 145.6375 7.700583 
-12.67484      11.25095 
1 1 1 3   45 5  o 23.81108 10.84777 -5.999922      11.58015  -11.62464      
20.00105  -3.163684      14.20279  30.21620 13.94630 27.97480 12.43780 
2.241405       18.68684 
1 1 1 3   45 6  o 63.50899 9.633204 43.73859       12.05064  48.04198       
15.62669  37.42463       18.92835  65.49229 12.18179 56.24105 15.86303 
9.251244       20.00079 
1 1 1 3   45 7  o 29.49943 12.18972 4.118692       11.88898  5.268909       
15.57522  2.512794       18.40363  33.28468 13.86899 34.09116 14.67382 
-0.8064804     20.19084 
1 1 1 3   45 8  o 141.5511 5.684393 207.5649       16.36246  217.1296       
20.27524  189.7018       27.70817  144.1363 6.917374 132.1610 10.39373 
11.97527       12.48518 
1 1 1 3   45 9  o 29.97646 12.68510 3.238472       13.34566  9.893751       
17.06382  -7.245107      21.41647  36.36614 14.76612 32.16208 14.69098 
4.204063       20.82938 
1 1 1 3   45 10 o 39.24086 15.22632 15.44539       17.37950  15.44539       
17.37950  0.000000       0.000000  39.24086 15.22632 ?        ?        
0.000000       15.22632 
1 1 1 3   45 11 o 52.83703 14.14332 34.97673       15.49731  45.70929       
18.87139  12.74892       27.15818  59.53495 15.45281 40.81068 17.69490 
18.72428       23.49252 
1 1 1 3   45 12 o 31.58613 14.52505 -3.011595      21.41638  -58.67638      
36.73218  25.65618       26.36049  29.81734 14.88135 43.98697 18.16152 
-14.16962      23.47968 
1 1 1 3   45 13 o 24.59855 11.41079 -5.309875      13.64001  -10.32591      
15.46837  12.22529       28.92139  24.46111 11.59712 37.79774 17.19015 
-13.33663      20.73631 
1 1 1 3   46 0  o 29.03079 11.00575 6.936353       8.937343  10.56693       
11.24335  0.7048048      14.73011  33.78558 12.43723 30.35127 13.09575 
3.434305       18.06054 
1 1 1 3   46 1  o 128.9189 4.508070 170.6510       11.81840  180.3988       
16.59892  160.6286       16.83098  131.9836 6.184554 124.1825 6.689631 
7.801071       9.110426 
1 1 1 3   46 2  o 27.04987 11.50773 1.334738       11.08150  -0.3808554     
12.76737  6.574579       22.31276  27.85072 12.10407 38.74706 16.39965 
-10.89633      20.38276 
1 1 1 3   46 3  o 203.3564 4.301187 424.4025       17.78679  412.3166       
22.01441  447.1265       30.18620  199.8989 5.415583 207.0312 7.170033 
-7.132339      8.985428 
1 1 1 3   46 4  o 77.55574 8.130749 63.86327       12.63248  76.64199       
18.52040  52.74583       17.27463  83.56608 11.17869 68.25484 12.91893 
15.31123       17.08397 
1 1 1 3   46 5  o 52.55074 12.45922 31.47709       13.11192  29.43826       
21.44190  32.69489       16.57142  50.38684 17.31522 52.77898 14.82718 
-2.392136      22.79609 
1 1 1 3   46 6  o 26.54065 11.56896 -0.5562010     11.73563  5.606584       
15.34765  -9.232601      18.21055  33.19626 13.79425 29.20509 13.41671 
3.991169       19.24290 
1 1 1 3   46 7  o 60.65835 10.93417 41.09407       12.99125  28.04643       
16.93418  59.75671       20.25279  48.69450 15.32715 71.32600 14.45821 
-22.63151      21.07040 
1 1 1 3   46 8  o 51.16900 12.62839 30.53845       13.06033  28.43935       
16.10061  34.57700       22.33257  48.67924 14.88397 52.60291 17.67541 
-3.923664      23.10742 
1 1 1 3   46 9  o 40.29438 13.76290 18.63331       13.54220  30.42576       
17.08291  -1.310787      22.21606  49.53529 15.36227 34.22511 15.36159 
15.31018       21.72505 
1 1 1 3   46 10 o 50.76487 15.31248 33.11666       17.12435  33.11666       
17.12435  0.000000       0.000000  50.76487 15.31248 ?        ?        
0.000000       15.31248 
1 1 1 3   46 11 o 43.59209 14.19873 24.51155       14.44242  21.15127       
17.13753  32.74664       26.82837  41.02337 15.30603 47.49686 18.77241 
-6.473492      24.22144 
1 1 1 3   46 12 o 52.37564 15.86760 39.94825       18.35903  34.89741       
23.26406  48.28673       29.89147  46.89673 17.76188 51.48329 19.97093 
-4.586559      26.72681 
1 1 1 3   46 13 o 74.17477 11.61830 69.59926       16.94931  69.59926       
16.94931  0.000000       0.000000  74.17477 11.61830 ?        ?        
0.000000       11.61830 
1 1 1 3   47 0  o 49.56468 10.09878 27.15606       9.833181  32.25607       
12.37296  18.41249       16.20067  53.51140 11.69683 41.86886 14.99726 
11.64254       19.01930 
1 1 1 3   47 1  o 37.86634 12.16995 15.65519       10.63295  12.66827       
11.95096  27.00039       23.29149  35.73381 12.87232 49.20729 17.93306 
-13.47348      22.07467 
1 1 1 3   47 2  o 22.43796 10.30707 -6.596717      10.74437  1.030324       
12.33084  -30.64820      21.89704  28.06084 12.04321 26.77917 12.97852 
1.281664       17.70539 
1 1 1 3   47 3  o 167.4624 5.111676 289.2902       17.40732  280.0315       
24.15619  299.2918       25.10665  163.5697 7.262299 169.0746 7.302287 
-5.504898      10.29876 
1 1 1 3   47 4  o 42.97300 11.90545 20.96581       10.76215  20.79895       
14.42024  21.17562       16.16947  43.00891 14.19656 43.64171 15.03417 
-0.6327972     20.67773 
1 1 1 3   47 5  o 101.5250 7.643171 109.0322       15.66391  137.9238       
25.49088  91.50423       19.85477  111.7509 11.37576 91.13425 10.93166 
20.61668       15.77685 
1 1 1 3   47 6  o 105.6992 6.454210 117.0482       13.80639  127.4406       
18.18356  102.9012       21.21559  109.3137 8.240587 96.41536 11.01864 
12.89838       13.75928 
1 1 1 3   47 7  o 25.84370 11.51205 -2.411290      12.22660  2.427248       
15.73177  -9.792104      19.43000  31.39612 13.54016 29.63370 13.70139 
1.762423       19.26302 
1 1 1 3   47 8  o 23.36534 10.97052 -10.67858      13.24293  -21.80200      
16.71107  8.099670       21.71264  23.62471 11.42253 37.44766 16.02388 
-13.82295      19.67839 
1 1 1 3   47 9  o 88.52164 8.443656 85.64259       15.01529  91.28406       
18.22733  73.73063       26.48614  90.08685 10.12510 73.68133 17.86246 
16.40552       20.53254 
1 1 1 3   47 10 f 43.49001 16.36157 24.76455       19.66222  24.76455       
19.66222  0.000000       0.000000  43.49001 16.36157 ?        ?        
0.000000       16.36157 
1 1 1 3   47 11 o 42.56909 15.23682 25.19639       16.71944  25.19639       
16.71944  0.000000       0.000000  42.56909 15.23682 ?        ?        
0.000000       15.23682 
1 1 1 3   47 12 o 25.92416 12.28376 -8.554260      17.30587  -29.19143      
22.11115  24.07713       27.80379  24.60454 12.15122 39.93959 17.59657 
-15.33505      21.38437 
1 1 1 3   48 0  o 36.88883 12.27723 14.71184       10.77654  16.57833       
12.40516  8.970391       21.75705  39.02448 13.17321 38.97912 16.32920 
0.4535675E-01  20.98037 
1 1 1 3   48 1  o 39.62651 12.57226 17.53848       11.37560  11.66605       
12.88712  38.25968       24.20774  35.29179 13.25216 55.54580 18.39675 
-20.25401      22.67290 
1 1 1 3   48 2  o 35.40773 12.59250 12.81862       11.40232  5.736794       
12.95712  37.12895       24.00663  31.27039 12.80137 54.75378 18.32628 
-23.48340      22.35459 
1 1 1 3   48 3  o 51.30344 11.43130 29.89727       11.62081  43.91137       
17.32753  18.44139       15.66636  60.95243 14.23700 41.30389 14.75286 
19.64854       20.50217 
1 1 1 3   48 4  o 40.35125 12.27752 18.52530       10.97401  26.10229       
14.84694  9.400676       16.29282  47.03212 14.27399 35.66801 14.44751 
11.36411       20.30953 
1 1 1 3   48 5  o 25.53455 11.59790 -5.199981      13.11069  4.402310       
22.23212  -10.31988      16.23395  36.78141 15.97889 26.70206 12.40779 
10.07935       20.23063 
1 1 1 3   48 6  o 95.83150 7.081548 97.38219       13.70253  98.53256       
17.86839  95.73991       21.34963  94.96502 9.375117 91.89812 11.68889 
3.066902       14.98409 
1 1 1 3   48 7  o 27.33755 12.03551 -0.3586064     12.98407  -2.013250      
16.08276  2.738461       22.00309  29.30994 13.11878 35.29271 15.59607 
-5.982765      20.37988 
1 1 1 3   48 8  f 39.64445 14.77905 18.08881       15.97112  18.08881       
15.97112  0.000000       0.000000  39.64445 14.77905 ?        ?        
0.000000       14.77905 
1 1 1 3   48 9  o 35.02537 14.38635 11.40002       16.43231  11.40002       
16.43231  0.000000       0.000000  35.02537 14.38635 ?        ?        
0.000000       14.38635 
1 1 1 3   48 10 o 35.24368 14.99009 11.94493       18.79499  11.94493       
18.79499  0.000000       0.000000  35.24368 14.99009 ?        ?        
0.000000       14.99009 
1 1 1 3   48 11 o 38.07444 13.61252 19.87934       13.34113  18.76109       
15.33307  23.36397       27.06688  37.13312 14.33158 39.76208 17.44421 
-2.628960      22.57642 
1 1 1 3   48 12 o 56.50725 12.70902 43.80917       14.24982  25.63598       
16.20834  105.6704       29.90420  40.25835 14.91196 76.25665 19.27477 
-35.99829      24.36972 
1 1 1 3   49 0  o 34.07441 12.45049 11.48191       11.23745  6.315861       
12.81097  28.72178       23.40291  31.38241 12.77448 49.29047 17.97400 
-17.90806      22.05112 
1 1 1 3   49 1  o 37.35223 12.87932 15.10629       11.86782  15.46336       
13.43172  13.83521       25.34208  38.17729 13.65766 42.39967 17.68094 
-4.222374      22.34161 
1 1 1 3   49 2  o 51.76043 13.36991 31.66279       14.17188  50.21587       
17.72675  -1.197718      23.59165  65.22175 13.79631 35.58686 15.91135 
29.63489       21.05966 
1 1 1 3   49 3  o 26.60439 11.53418 0.4425249      11.53709  -20.83799      
16.99952  18.61383       15.70865  24.30174 11.69241 41.03997 14.76063 
-16.73823      18.83052 
1 1 1 3   49 4  o 64.70727 9.290563 46.07354       11.87424  47.74670       
15.75616  43.87410       18.06506  64.01419 12.55243 59.79667 14.90813 
4.217525       19.48886 
1 1 1 3   49 5  o 25.13863 11.84751 -12.79587      15.70211  -12.79587      
15.70211  0.000000       0.000000  25.13863 11.84751 ?        ?        
0.000000       11.84751 
1 1 1 3   49 6  o 40.69198 15.01856 19.06801       16.41163  19.06801       
16.41163  0.000000       0.000000  40.69198 15.01856 ?        ?        
0.000000       15.01856 
1 1 1 3   49 7  o 22.84853 10.76597 -10.38098      12.95380  0.3400058      
16.02550  -30.59084      22.00269  29.78607 13.22893 25.75011 12.59623 
4.035965       18.26663 
1 1 1 3   49 8  o 48.91930 13.25645 30.46310       13.51604  27.70113       
16.40553  36.29904       23.84717  45.51515 15.14801 49.44964 18.12678 
-3.934486      23.62292 
1 1 1 3   49 9  f 33.16902 13.06618 12.02205       12.95718  10.11445       
15.42231  16.59991       23.89117  32.97588 13.77563 38.51562 16.64813 
-5.539738      21.60852 
1 1 1 3   49 10 o 23.28735 11.31856 -17.89348      16.97384  -17.89348      
16.97384  0.000000       0.000000  23.28735 11.31856 ?        ?        
0.000000       11.31856 
1 1 1 3   49 11 o 36.11577 14.27557 19.05755       15.51601  -4.010633      
19.23637  62.01164       26.24935  27.63739 13.05198 55.23076 19.14803 
-27.59337      23.17329 
1 1 1 3   50 0  o 60.84453 9.807554 41.15232       11.72230  34.72927       
13.17515  65.55227       25.67909  54.58928 12.17806 71.02020 17.81208 
-16.43092      21.57719 
1 1 1 3   50 1  o 46.87936 12.76586 26.03177       12.49816  29.07855       
14.32592  16.32464       25.57099  49.10468 13.78292 42.84743 17.80507 
6.257248       22.51643 
1 1 1 3   50 2  o 59.81094 12.51842 42.02132       14.73718  49.18762       
18.74424  30.42035       23.84884  63.21183 14.83661 49.18167 18.11245 
14.03016       23.41337 
1 1 1 3   50 3  o 32.22528 13.38118 6.579746       14.42742  6.579746       
14.42742  0.000000       0.000000  32.22528 13.38118 ?        ?        
0.000000       13.38118 
1 1 1 3   50 4  o 52.10629 11.51373 31.82449       11.87494  40.51021       
16.31534  22.03983       17.31675  57.21059 14.11170 42.86001 15.48675 
14.35058       20.95184 
1 1 1 3   50 5  o 34.63913 12.77908 12.90462       11.87958  6.010470       
15.78018  21.92246       18.04776  32.37943 13.75273 42.45557 15.73348 
-10.07614      20.89689 
1 1 1 3   50 6  o 63.79476 10.45074 47.08851       13.08803  21.38417       
16.50506  90.63127       21.48186  41.41043 15.09540 86.79002 12.53495 
-45.37959      19.62132 
1 1 1 3   50 7  o 77.06851 8.885890 66.94675       13.67097  61.89668       
16.96216  76.30837       23.09447  71.23258 12.14546 75.36160 15.58430 
-4.129013      19.75810 
1 1 1 3   50 8  o 70.28722 11.90827 61.36501       16.41294  55.24448       
21.82734  69.32827       24.89726  60.37806 17.03616 66.81052 17.94481 
-6.432468      24.74362 
1 1 1 3   50 9  o 47.83875 14.84881 34.02842       15.95619  23.26652       
20.62226  50.08200       25.18707  39.38081 16.13902 51.95023 18.69001 
-12.56942      24.69381 
1 1 1 3   50 10 o 34.33429 14.12451 16.22604       15.87031  16.22604       
15.87031  0.000000       0.000000  34.33429 14.12451 ?        ?        
0.000000       14.12451 
1 1 1 3   51 0  o 71.89899 8.897724 56.91460       12.73151  51.18008       
14.63018  74.80676       25.84239  66.71790 11.17887 75.43526 17.22487 
-8.717361      20.53444 
1 1 1 3   51 1  o 27.65914 12.37803 -1.961631      14.31208  3.885917       
17.63029  -13.26241      24.50906  32.79659 14.23855 31.64348 14.87879 
1.153109       20.59405 
1 1 1 3   51 2  o 51.61311 11.05306 31.10154       11.25123  27.76484       
19.07167  32.88276       13.93439  46.46321 16.30938 51.79148 13.19365 
-5.328274      20.97780 
1 1 1 3   51 3  o 31.16600 12.02408 9.209126       10.78992  2.354837       
14.47840  17.77112       16.18180  29.56546 12.86953 39.31668 14.83214 
-9.751221      19.63713 
1 1 1 3   51 4  o 84.64989 8.747679 79.55425       14.84094  63.66773       
23.37135  90.28868       19.21139  68.08208 16.94746 88.23335 10.94196 
-20.15126      20.17282 
1 1 1 3   51 5  o 26.11382 11.46643 0.8258275      11.71708  6.008873       
15.55751  -5.967554      17.81110  31.59215 13.54225 28.27475 13.08893 
3.317406       18.83381 
1 1 1 3   51 6  o 22.67569 10.81334 -12.22585      13.84585  -21.21353      
20.46709  -4.642016      18.80082  25.79717 12.51309 28.99112 13.43011 
-3.193954      18.35607 
1 1 1 3   51 7  o 37.65891 13.36607 18.66741       12.84006  26.66622       
16.19983  5.151195       21.05838  43.03870 15.03561 32.79161 14.81538 
10.24709       21.10841 
1 1 1 3   51 8  o 68.87857 9.686486 56.97495       13.19265  58.98325       
15.70204  52.15428       24.32738  67.68808 11.83868 53.16088 18.43351 
14.52720       21.90773 
1 1 1 3   51 9  o 27.61598 12.10677 5.446446       13.01663  3.179265       
15.33792  11.28267       24.60873  27.78122 12.58937 33.47246 15.45634 
-5.691244      19.93466 
1 1 1 3   51 10 o 26.31733 12.14170 1.435648       15.13635  1.435648       
15.13635  0.000000       0.000000  26.31733 12.14170 ?        ?        
0.000000       12.14170 
1 1 1 3   52 0  o 57.55489 13.09868 40.96503       14.98606  40.19392       
18.38860  42.49005       25.85984  54.83202 15.69468 53.40699 18.96711 
1.425022       24.61858 
1 1 1 3   52 1  o 48.34198 11.82427 28.33406       11.52782  47.26890       
20.02248  18.94534       14.09906  58.89749 16.20761 39.42941 14.00480 
19.46808       21.42011 
1 1 1 3   52 2  o 42.95725 13.02796 23.20029       12.37123  63.43921       
27.59543  13.07891       13.83993  63.97414 19.47001 34.97127 13.58260 
29.00286       23.73959 
1 1 1 3   52 3  o 63.55344 10.72943 47.63455       13.37277  59.97697       
21.18752  39.46214       17.24071  66.19062 15.93285 53.97445 15.10978 
12.21617       21.95816 
1 1 1 3   52 4  o 62.29580 11.34339 47.00447       13.84046  23.17836       
20.95756  65.43323       18.43156  41.52617 16.53493 71.92396 13.08393 
-30.39779      21.08538 
1 1 1 3   52 5  f 33.89474 12.41599 13.83953       11.18531  31.08771       
14.69204  -9.940729      17.25118  47.52036 14.14958 25.96940 12.29337 
21.55096       18.74400 
1 1 1 3   52 6  o 45.82059 12.52649 27.98982       12.00624  34.39570       
15.27187  17.62378       19.42715  48.95321 14.38793 36.87549 15.43773 
12.07772       21.10299 
1 1 1 3   52 7  o 21.70162 10.26550 -7.465460      11.98765  -13.99694      
15.00196  4.071620       19.93839  22.34825 10.80954 30.65864 14.06759 
-8.310394      17.74100 
1 1 1 3   52 8  o 25.53443 11.46797 2.280609       12.40163  -3.879743      
14.58802  18.33660       23.55115  24.54860 11.52227 35.06336 15.77068 
-10.51476      19.53144 
1 1 1 3   52 9  o 62.60609 11.98403 54.70753       14.70133  46.43358       
17.62426  73.63363       26.65537  51.41557 15.54014 56.25955 19.30742 
-4.843979      24.78452 
1 1 1 3   53 0  o 23.87675 11.23659 -9.157510      14.03165  -4.477823      
17.13466  -18.68474      24.44840  27.99301 12.91603 28.98978 13.96661 
-0.9967670     19.02341 
1 1 1 3   53 1  o 36.62238 12.35615 16.63280       10.91399  43.18985       
18.94784  3.446994       13.35129  54.89673 15.99538 28.45801 12.37289 
26.43872       20.22228 
1 1 1 3   53 2  o 26.42634 10.93674 4.958721       9.591779  -5.577808      
13.85652  14.65247       13.29081  24.78956 11.49996 35.06485 13.39055 
-10.27529      17.65095 
1 1 1 3   53 3  o 95.01772 6.758332 98.58926       12.97342  88.30119       
17.79569  110.2594       18.95336  86.05775 10.37833 97.06290 9.733579 
-11.00514      14.22857 
1 1 1 3   53 4  o 80.96301 8.606888 75.39739       13.95317  62.61771       
20.17414  87.11682       19.31915  65.87550 15.34512 83.20795 11.74403 
-17.33245      19.32343 
1 1 1 3   53 5  o 23.70858 10.68692 -0.3985889     10.88409  -2.260458      
14.27091  2.190323       16.82812  25.56383 11.79246 28.80020 13.10370 
-3.236370      17.62865 
1 1 1 3   53 6  o 39.28383 12.85801 22.25647       11.83836  19.98888       
15.08125  25.89685       19.10859  36.47072 14.17483 39.16200 15.72197 
-2.691280      21.16851 
1 1 1 3   53 7  o 27.68144 11.79024 7.677103       11.65708  15.86869       
14.68635  -6.271757      19.16457  33.04857 13.59055 26.16241 12.54227 
6.886160       18.49356 
1 1 1 3   53 8  o 29.80012 12.30209 12.03637       12.09230  14.79718       
14.48081  5.675967       21.97945  31.54720 13.27416 29.38803 13.90104 
2.159176       19.22087 
1 1 1 3   54 0  o 25.80002 11.94407 -3.928407      14.83495  -6.000452      
19.12302  -0.7967966     23.50937  28.00557 13.16002 31.70146 14.79760 
-3.695898      19.80290 
1 1 1 3   54 1  o 35.98574 11.66783 16.67362       9.757365  -3.081010      
15.14790  30.68274       12.75626  26.21585 12.11290 47.69207 12.85948 
-21.47622      17.66603 
1 1 1 3   54 2  o 35.73850 11.42479 16.53153       9.380260  20.80707       
13.80939  12.86878       12.78154  38.38438 13.83587 32.68009 12.94429 
5.704285       18.94692 
1 1 1 3   54 3  o 42.88708 11.48853 24.28928       10.22091  19.04230       
13.67891  30.92165       15.37912  36.63239 13.67324 44.94095 14.65262 
-8.308563      20.04138 
1 1 1 3   54 4  o 27.52709 11.85094 6.191546       12.00901  0.5364859      
18.30085  10.46807       15.91468  28.31824 13.16385 31.23350 13.54397 
-2.915251      18.88719 
1 1 1 3   54 5  o 25.52025 11.18592 4.175445       11.10724  4.937256       
14.61487  3.133750       17.08997  27.69981 12.44427 28.08073 12.93608 
-0.3809242     17.94999 
1 1 1 3   54 6  o 34.74497 12.67397 18.47838       11.63739  20.56620       
14.77136  15.06202       18.89535  35.20345 13.92441 32.17113 14.32235 
3.032314       19.97546 
1 1 1 3   54 7  o 31.46280 12.44092 15.18572       11.78813  26.30715       
14.55283  -6.035601      20.10264  38.12869 14.12856 25.53363 12.38891 
12.59506       18.79099 
1 1 1 3   55 0  o 21.90687 10.41186 -8.028764      12.61954  -4.752201      
14.99314  -15.99016      23.37103  24.81146 11.65702 26.84521 13.09958 
-2.033749      17.53525 
1 1 1 3   55 1  o 24.97129 10.65453 4.462737       9.549694  6.079176       
15.03324  3.369174       12.36501  28.80122 12.80117 26.17547 11.62305 
2.625751       17.29061 
1 1 1 3   55 2  o 19.13046 8.952224 -4.634531      8.693711  0.5054349      
13.03190  -8.756367      11.67005  25.09000 11.46033 20.59271 9.849707 
4.497290       15.11145 
1 1 1 3   55 3  o 15.65618 7.789985 -19.14831      9.750989  -10.09134      
13.32297  -29.59667      14.30981  21.41604 10.31584 18.02252 9.037757 
3.393518       13.71487 
1 1 1 3   55 4  o 35.29360 12.98090 19.60987       12.24397  10.93944       
18.62848  26.20444       16.24615  30.47610 13.83556 38.03950 14.73228 
-7.563396      20.21046 
1 1 1 3   55 5  o 18.79795 9.089891 -9.471888      10.59069  -26.40959      
13.79787  14.81623       16.52272  17.77792 8.909347 31.07212 13.63060 
-13.29420      16.28403 
1 1 1 3   55 6  o 28.90150 11.84755 12.19981       11.11687  16.43654       
14.18999  5.467267       17.88778  31.22495 13.13946 27.14514 12.74678 
4.079811       18.30644 
1 1 1 3   56 0  o 42.79178 13.41708 29.21524       12.99058  30.92300       
16.06128  25.98472       22.09035  41.33819 14.91819 36.14100 15.80974 
5.197189       21.73707 
1 1 1 3   56 1  o 40.95394 11.02781 23.47878       9.388598  43.23769       
15.98387  13.07075       11.60072  50.39358 14.69340 30.42113 12.23687 
19.97245       19.12164 
1 1 1 3   56 2  o 48.15367 10.38975 31.28022       9.875236  30.14761       
13.76841  32.48016       14.17170  41.94160 13.87333 43.40702 14.06031 
-1.465424      19.75250 
1 1 1 3   56 3  o 16.07255 7.945604 -15.09420      9.536855  -18.26799      
13.34504  -11.78152      13.63390  18.82383 9.322458 20.51215 10.00838 
-1.688328      13.67757 
1 1 1 3   56 4  o 29.49454 12.19866 13.43424       11.92185  15.59542       
18.49862  11.89892       15.59172  30.33917 13.77873 28.80149 12.90224 
1.537678       18.87647 
1 1 1 3   56 5  o 21.21507 9.895399 -0.8109710     10.48201  2.980285       
13.67477  -6.211882      16.32157  24.34998 11.33912 22.83143 11.09742 
1.518551       15.86595 
1 1 1 3   57 0  o 33.67450 12.55254 19.24382       11.52097  19.24382       
11.52097  0.000000       0.000000  33.67450 12.55254 ?        ?        
0.000000       12.55254 
1 1 1 3   57 1  o 17.53003 8.503955 -8.899242      9.459684  3.080669       
15.43588  -16.10468      11.97112  25.23454 11.84684 17.89727 8.857503 
7.337267       14.79199 
1 1 1 3   57 2  o 14.50773 7.251662 -17.70466      8.871819  -31.59983      
12.92069  -5.309607      12.20332  15.85607 8.029036 20.76278 9.968170 
-4.906716      12.79960 
1 1 1 3   57 3  o 30.73781 11.67666 15.77495       10.07309  12.25110       
14.08196  19.46740       14.41488  27.83867 12.38068 31.39417 13.22863 
-3.555490      18.11844 
1 1 1 3   58 0  o 24.30749 10.56193 7.400710       9.717234  3.917902       
11.14359  18.45310       19.85128  22.98031 10.53427 29.00490 13.55860 
-6.024582      17.16993 
1 1 1 3   58 1  o 17.14426 8.110546 -3.364115      7.486316  -8.638257      
10.96870  1.235247       10.24302  18.37351 8.967550 21.26972 9.874285 
-2.896210      13.33861 
1 1 1 4   0  0  o 774.4953 9.433578 6106.471       148.5257  6106.471       
148.5257  6106.471       148.5257  774.4953 9.433578 774.4953 9.433578 
0.000000       0.000000 
1 1 1 4   0  1  o 58.72913 6.144518 36.22151       7.154387  36.22151       
7.154387  36.22151       7.154387  58.72913 6.144518 58.72913 6.144518 
0.000000       0.000000 
1 1 1 4   0  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   0  3  o 61.43732 11.90108 42.50286       13.26394  42.50286       
13.26394  42.50286       13.26394  61.43732 11.90108 61.43732 11.90108 
0.000000       0.000000 
1 1 1 4   0  4  o 289.2801 5.239398 852.1346       30.79854  852.1346       
30.79854  852.1346       30.79854  289.2801 5.239398 289.2801 5.239398 
0.000000       0.000000 
1 1 1 4   0  5  o 216.9128 5.139120 479.4041       22.63990  479.4041       
22.63990  479.4041       22.63990  216.9128 5.139120 216.9128 5.139120 
0.000000       0.000000 
1 1 1 4   0  6  o 677.5410 8.637202 4674.290       118.9600  4674.290       
118.9600  4674.290       118.9600  677.5410 8.637202 677.5410 8.637202 
0.000000       0.000000 
1 1 1 4   0  7  o 292.7091 5.745081 872.4556       34.16695  872.4556       
34.16695  872.4556       34.16695  292.7091 5.745081 292.7091 5.745081 
0.000000       0.000000 
1 1 1 4   0  8  o 196.3209 6.167335 393.1881       24.56653  393.1881       
24.56653  393.1881       24.56653  196.3209 6.167335 196.3209 6.167335 
0.000000       0.000000 
1 1 1 4   0  9  o 246.5990 6.447918 619.8748       32.28424  619.8748       
32.28424  619.8748       32.28424  246.5990 6.447918 246.5990 6.447918 
0.000000       0.000000 
1 1 1 4   0  10 o 263.3654 6.575900 707.0431       35.16844  707.0431       
35.16844  707.0431       35.16844  263.3654 6.575900 263.3654 6.575900 
0.000000       0.000000 
1 1 1 4   0  11 o 528.1685 10.87380 2847.620       116.6782  2847.620       
116.6782  2847.620       116.6782  528.1685 10.87380 528.1685 10.87380 
0.000000       0.000000 
1 1 1 4   0  12 o 213.5368 7.152894 465.9777       30.98134  465.9777       
30.98134  465.9777       30.98134  213.5368 7.152894 213.5368 7.152894 
0.000000       0.000000 
1 1 1 4   0  13 o 113.3493 10.40842 134.5549       23.52629  134.5549       
23.52629  134.5549       23.52629  113.3493 10.40842 113.3493 10.40842 
0.000000       0.000000 
1 1 1 4   0  14 o 328.9849 6.715350 1104.944       44.88359  1104.944       
44.88359  1104.944       44.88359  328.9849 6.715350 328.9849 6.715350 
0.000000       0.000000 
1 1 1 4   0  15 o 259.0594 7.052307 686.5560       37.08973  686.5560       
37.08973  686.5560       37.08973  259.0594 7.052307 259.0594 7.052307 
0.000000       0.000000 
1 1 1 4   0  16 o 163.1369 8.387073 274.6071       27.65578  274.6071       
27.65578  274.6071       27.65578  163.1369 8.387073 163.1369 8.387073 
0.000000       0.000000 
1 1 1 4   0  17 o 159.7583 12.83334 269.5888       41.07327  269.5888       
41.07327  269.5888       41.07327  159.7583 12.83334 159.7583 12.83334 
0.000000       0.000000 
1 1 1 4   0  18 o 224.5045 8.137591 519.4434       37.04043  519.4434       
37.04043  519.4434       37.04043  224.5045 8.137591 224.5045 8.137591 
0.000000       0.000000 
1 1 1 4   0  19 o 101.1559 14.91594 114.6082       28.72475  114.6082       
28.72475  114.6082       28.72475  101.1559 14.91594 101.1559 14.91594 
0.000000       0.000000 
1 1 1 4   0  20 o 225.6063 8.331756 530.2056       38.10597  530.2056       
38.10597  530.2056       38.10597  225.6063 8.331756 225.6063 8.331756 
0.000000       0.000000 
1 1 1 4   0  21 o 158.5148 9.720752 269.6599       31.06440  269.6599       
31.06440  269.6599       31.06440  158.5148 9.720752 158.5148 9.720752 
0.000000       0.000000 
1 1 1 4   1  0  o 382.8500 3.919883 1490.722       30.51780  1581.115       
44.90060  1413.111       41.60494  394.2311 5.600797 372.7022 5.489484 
21.52890       7.842408 
1 1 1 4   1  1  o 944.4807 11.28431 9095.249       216.7303  0.000000       
0.000000  9095.249       216.7303  ?        ?        944.4807 11.28431 
0.000000       11.28431 
1 1 1 4   1  2  o 469.7445 6.430998 2246.255       61.43156  0.000000       
0.000000  2246.255       61.43156  ?        ?        469.7445 6.430998 
0.000000       6.430998 
1 1 1 4   1  3  o 168.4273 3.851526 288.5846       13.19158  281.7938       
16.00968  302.9446       23.28094  166.4117 4.730938 172.4783 6.637655 
-6.066513      8.151088 
1 1 1 4   1  4  o 269.6375 3.623671 739.5796       19.86921  744.8187       
27.95714  734.2326       28.24366  270.5299 5.081899 268.5961 5.170943 
1.933777       7.250128 
1 1 1 4   1  5  o 240.5070 5.151480 588.5890       25.19481  588.5890       
25.19481  0.000000       0.000000  240.5070 5.151480 ?        ?        
0.000000       5.151480 
1 1 1 4   1  6  o 233.3740 3.762536 553.9468       17.85602  545.5003       
25.07318  562.6390       25.43517  231.5502 5.324917 235.1597 5.318882 
-3.609497      7.526304 
1 1 1 4   1  7  o 165.6978 4.344507 279.2571       14.63891  289.4898       
21.11196  269.7813       20.31607  168.6772 6.154896 162.8346 6.135383 
5.842636       8.690551 
1 1 1 4   1  8  o 466.6893 4.896003 2215.405       46.46446  2151.951       
64.38832  2284.353       67.11799  459.8661 6.885323 473.7974 6.966182 
-13.93134      9.794660 
1 1 1 4   1  9  o 220.7400 4.635834 495.6358       20.80943  529.2791       
29.90548  464.0544       28.97457  228.0648 6.448238 213.5443 6.672328 
14.52046       9.278995 
1 1 1 4   1  10 o 473.5476 5.150628 2281.579       49.59927  2256.282       
69.14927  2308.385       71.18285  470.7650 7.223238 476.1586 7.351439 
-5.393524      10.30625 
1 1 1 4   1  11 o 167.9967 7.642380 287.5336       26.10844  279.0734       
36.87331  296.0395       36.97271  164.9615 11.05600 169.9620 10.75282 
-5.000488      15.42266 
1 1 1 4   1  12 f 459.1821 5.102297 2146.512       47.64333  2111.656       
66.59571  2183.055       68.18819  455.1582 7.195028 462.7809 7.245733 
-7.622711      10.21122 
1 1 1 4   1  13 o 505.1992 5.348797 2599.806       54.95033  2618.290       
78.15060  2581.732       77.27971  506.5239 7.587189 502.9830 7.555457 
3.540924       10.70749 
1 1 1 4   1  14 o 220.3553 5.007388 494.6960       22.43810  494.4549       
31.79534  494.9353       31.66956  220.0785 7.104515 220.1893 7.072848 
-0.1108093     10.02493 
1 1 1 4   1  15 o 145.0195 6.212394 214.6121       18.32047  232.4557       
26.72698  198.7971       25.16192  150.4055 8.776570 139.0218 8.947927 
11.38373       12.53370 
1 1 1 4   1  16 o 88.74377 9.515498 81.77820       16.90411  77.42484       
23.91192  86.12727       23.90011  85.21784 14.30545 90.20969 13.43876 
-4.991852      19.62769 
1 1 1 4   1  17 o 188.8352 6.953622 364.8133       26.70210  405.0154       
45.20144  343.2640       33.09364  197.6680 11.29197 182.8138 8.901928 
14.85419       14.37891 
1 1 1 4   1  18 o 63.32124 15.41072 43.75966       19.65604  90.59336       
28.33566  0.3203083      27.28951  91.61742 15.77850 41.72741 17.91259 
49.89001       23.87094 
1 1 1 4   1  19 f 256.9491 5.656357 675.0918       29.55530  696.2939       
42.56843  655.3590       41.06701  260.2062 8.044862 252.4577 7.999319 
7.748474       11.34499 
1 1 1 4   1  20 o 64.79092 14.43890 46.44725       18.53757  47.52742       
27.03172  45.48827       25.47010  64.71768 19.17523 63.42667 18.56361 
1.291016       26.68889 
1 1 1 4   1  21 o 51.19289 15.53035 29.48973       17.57819  10.82827       
24.79550  48.34455       24.92362  42.88383 17.64986 64.12764 18.24306 
-21.24381      25.38359 
1 1 1 4   2  0  o 511.8729 4.763612 2665.155       49.58495  2692.242       
70.72704  2638.973       69.53558  514.3613 6.761854 509.2501 6.714667 
5.111145       9.529398 
1 1 1 4   2  1  o 316.5225 4.115442 1019.050       26.48943  1046.296       
46.80007  1006.206       32.13189  320.6019 7.178423 314.4923 5.024292 
6.109558       8.762035 
1 1 1 4   2  2  o 504.9822 5.503924 2595.119       56.51971  2623.285       
69.80003  2541.484       96.31981  507.6010 6.762102 499.3023 9.486382 
8.298737       11.64978 
1 1 1 4   2  3  o 533.4478 5.785182 2896.818       62.75673  3035.784       
79.64645  2669.262       101.9191  545.9188 7.174423 511.5001 9.798476 
34.41876       12.14424 
1 1 1 4   2  4  o 445.3967 5.158907 2018.944       46.72573  2019.268       
57.21722  2018.297       80.95931  445.3276 6.318234 444.9049 8.948458 
0.4226990      10.95422 
1 1 1 4   2  5  o 240.4403 4.212863 588.1101       20.59852  591.1531       
35.57367  586.5752       25.26495  240.9399 7.260531 240.0950 5.174685 
0.8448792      8.915867 
1 1 1 4   2  6  o 602.3812 5.588121 3692.114       68.45238  3662.700       
96.13637  3722.362       97.49042  599.7646 7.882345 604.6246 7.929115 
-4.859924      11.18044 
1 1 1 4   2  7  o 688.4577 6.255892 4822.632       87.58262  4721.910       
121.6936  4930.861       126.1475  680.9954 8.787635 695.8858 8.914344 
-14.89038      12.51751 
1 1 1 4   2  8  o 533.3616 5.274565 2893.810       57.20840  2888.299       
80.82397  2899.343       80.98608  532.7278 7.460766 533.7453 7.461478 
-1.017517      10.55162 
1 1 1 4   2  9  o 615.7689 5.880917 3857.869       73.64008  3870.213       
104.5522  3845.716       103.7382  616.5449 8.339060 614.5944 8.300389 
1.950439       11.76590 
1 1 1 4   2  10 o 192.7749 6.107788 378.2059       23.94340  375.9732       
28.82713  383.1723       42.99475  192.1638 7.376976 193.5272 10.97014 
-1.363342      13.21982 
1 1 1 4   2  11 o 387.6321 6.728321 1530.163       53.03687  1502.481       
74.87539  1558.038       75.13622  383.8013 9.593591 390.8507 9.453378 
-7.049377      13.46861 
1 1 1 4   2  12 o 311.3213 4.695590 986.5107       29.72696  959.5620       
41.47033  1014.993       42.63435  306.8757 6.645437 315.6153 6.642786 
-8.739532      9.396193 
1 1 1 4   2  13 o 285.8173 4.715790 831.8019       27.40908  852.1851       
39.22161  812.3464       38.31874  289.0911 6.671742 282.2524 6.676089 
6.838745       9.438342 
1 1 1 4   2  14 o 360.7181 4.804579 1325.448       35.24315  1335.704       
49.97691  1315.301       49.70687  361.7765 6.793251 358.9997 6.808805 
2.776764       9.618112 
1 1 1 4   2  15 o 165.2820 5.804786 278.6498       19.51027  277.6721       
27.82312  279.5957       27.36594  164.5052 8.344475 165.3079 8.140766 
-0.8027191     11.65772 
1 1 1 4   2  16 o 108.4016 8.086902 121.0056       17.69833  135.1335       
24.67089  106.0260       25.40362  114.0616 10.76364 100.4578 12.72042 
13.60375       16.66329 
1 1 1 4   2  17 o 188.7388 6.934582 364.4367       26.61539  352.2268       
43.99890  371.4827       33.42409  184.1190 11.81381 190.2318 8.640224 
-6.112793      14.63624 
1 1 1 4   2  18 o 173.1763 6.480314 306.7583       22.82106  306.0032       
32.56507  307.4869       31.99032  172.1683 9.336283 172.6393 9.144886 
-0.4710388     13.06886 
1 1 1 4   2  19 o 73.46690 14.32456 58.64021       20.63172  51.56937       
29.95811  65.01938       28.45518  68.04565 20.19227 76.24401 18.53348 
-8.198364      27.40835 
1 1 1 4   2  20 o 207.9836 6.183407 443.9686       26.15221  415.2899       
37.12401  472.2211       36.84717  200.0573 9.125338 213.6220 8.482164 
-13.56468      12.45869 
1 1 1 4   2  21 o 184.6147 6.185105 351.3628       23.22014  331.2010       
32.38204  372.7022       33.31427  177.6808 8.991411 188.8898 8.673020 
-11.20894      12.49267 
1 1 1 4   3  0  o 319.2005 3.546393 1036.218       23.01982  1102.333       
33.75748  978.7504       31.47238  329.1867 5.042854 310.1872 4.989469 
18.99945       7.094024 
1 1 1 4   3  1  o 386.3886 3.964972 1518.551       31.15415  1608.239       
65.19319  1492.007       35.46578  397.4067 8.067066 382.9744 4.553951 
14.43231       9.263695 
1 1 1 4   3  2  o 393.7436 8.077437 1579.428       64.67531  0.000000       
0.000000  1579.428       64.67531  ?        ?        393.7436 8.077437 
0.000000       8.077437 
1 1 1 4   3  3  o 180.5455 3.917991 331.6155       14.38473  319.4153       
17.54377  356.6442       25.12798  177.1666 4.869561 187.1398 6.602978 
-9.973267      8.204385 
1 1 1 4   3  4  o 543.4891 5.898685 3007.007       65.19248  3030.965       
80.38435  2960.964       111.4339  545.4802 7.246713 538.6625 10.17300 
6.817749       12.49019 
1 1 1 4   3  5  o 98.53536 5.502188 99.11348       10.98098  118.0609       
19.68024  90.54783       13.23230  107.2449 9.110307 94.04615 6.968581 
13.19873       11.46991 
1 1 1 4   3  6  o 222.6302 3.768532 504.1142       17.06112  523.8094       
24.52013  485.6302       23.75423  226.9014 5.314154 218.4749 5.346725 
8.426453       7.538415 
1 1 1 4   3  7  o 310.2399 4.129119 978.9269       26.04992  991.3074       
37.04107  966.8115       36.64246  312.1476 5.835420 308.2665 5.845301 
3.881134       8.259521 
1 1 1 4   3  8  o 431.9908 4.690801 1898.163       41.20719  1946.002       
59.15859  1853.077       57.43132  437.3177 6.652262 426.7504 6.617950 
10.56729       9.383489 
1 1 1 4   3  9  o 219.1917 4.635175 488.7111       20.66054  497.8522       
29.52418  479.9391       28.92195  221.1853 6.564023 217.1701 6.549017 
4.015244       9.272326 
1 1 1 4   3  10 o 102.7411 9.350775 108.4492       19.32252  84.76136       
22.48429  175.3569       37.78802  90.26143 12.59268 130.1832 14.52152 
-39.92174      19.22109 
1 1 1 4   3  11 o 185.3247 6.140954 349.6713       23.14305  340.6561       
29.51536  364.0608       37.28946  182.8394 7.938290 188.6607 9.753054 
-5.821335      12.57531 
1 1 1 4   3  12 o 296.1175 4.728382 892.5342       28.47266  919.3515       
40.48375  866.2853       40.05256  300.3748 6.627747 291.5647 6.755288 
8.810028       9.463664 
1 1 1 4   3  13 o 443.9819 5.086715 2007.623       45.92551  1969.442       
63.83046  2048.602       66.12740  439.3810 7.143899 448.1006 7.256956 
-8.719574      10.18326 
1 1 1 4   3  14 o 128.3101 6.590783 168.4226       17.13882  145.9396       
24.05592  191.5993       24.42418  118.9067 10.04259 136.5608 8.842615 
-17.65407      13.38079 
1 1 1 4   3  15 o 144.5809 6.218464 213.3266       18.28292  202.9444       
26.22489  223.1445       25.50216  140.4115 9.236133 147.3874 8.545411 
-6.975937      12.58293 
1 1 1 4   3  16 o 182.7203 5.766668 340.7353       21.42709  315.2183       
29.93449  367.5468       30.68437  175.3800 8.393447 189.4527 7.964618 
-14.07274      11.57087 
1 1 1 4   3  17 o 192.3136 6.732894 378.2511       26.33074  386.4792       
44.20651  373.7269       32.77990  193.0578 11.30959 190.8410 8.446648 
2.216736       14.11569 
1 1 1 4   3  18 o 51.13337 16.10861 27.41268       18.70064  34.91007       
26.62798  20.11603       26.26907  58.10044 19.29696 49.79250 18.87047 
8.307945       26.99013 
1 1 1 4   3  19 o 276.0804 5.509190 779.1982       30.92963  749.7334       
43.86954  808.3206       43.61380  270.0058 7.989848 280.4905 7.646352 
-10.48471      11.05913 
1 1 1 4   3  20 o 122.6076 8.531268 156.3235       21.13822  159.4323       
30.65392  153.5051       29.18784  122.3031 12.50101 120.1563 12.11062 
2.146721       17.40524 
1 1 1 4   3  21 o 52.22986 17.16306 30.46735       21.08506  6.068861       
25.61897  81.69280       37.12129  41.32761 17.53677 81.19242 21.95547 
-39.86481      28.09948 
1 1 1 4   4  0  o 370.5757 3.846149 1396.704       28.98375  1467.372       
42.38736  1334.648       39.72088  379.7765 5.488541 362.1978 5.392891 
17.57867       7.694632 
1 1 1 4   4  1  o 151.2628 3.519388 232.7114       10.82557  250.7753       
19.42800  224.5772       13.03707  156.9765 6.086142 148.5843 4.314748 
8.392151       7.460441 
1 1 1 4   4  2  o 295.2923 7.011460 887.9657       42.10291  0.000000       
0.000000  887.9657       42.10291  ?        ?        295.2923 7.011460 
0.000000       7.011460 
1 1 1 4   4  3  o 437.4426 5.073544 1947.474       45.13194  1895.896       
54.15396  2064.757       81.66168  431.5139 6.171405 449.9801 8.924289 
-18.46619      10.85031 
1 1 1 4   4  4  o 165.5239 4.079607 278.7358       13.73190  280.3329       
16.93076  275.6654       23.47495  165.9731 5.016345 164.5172 7.016845 
1.455841       8.625533 
1 1 1 4   4  5  o 283.9926 4.364200 820.4816       25.20363  853.9897       
44.51286  804.6700       30.57724  289.5780 7.559072 281.2050 5.347169 
8.373016       9.259147 
1 1 1 4   4  6  o 224.1346 3.780864 510.9493       17.23263  516.0389       
24.42655  505.9060       24.31506  225.2126 5.333570 222.9897 5.362151 
2.222870       7.563044 
1 1 1 4   4  7  o 700.0080 6.327384 4985.863       90.06968  4988.565       
127.1977  4983.145       127.5586  699.9471 8.936399 699.5633 8.966673 
0.3837891      12.65940 
1 1 1 4   4  8  o 218.0620 4.263917 483.6345       18.90777  511.4507       
27.09078  457.2152       26.40178  224.2123 5.941700 211.9873 6.124519 
12.22507       8.533084 
1 1 1 4   4  9  o 276.5220 5.135102 777.8735       28.87555  752.2213       
49.21563  791.3392       35.65791  271.7811 8.904969 278.8686 6.287889 
-7.087494      10.90119 
1 1 1 4   4  10 o 323.3699 5.414679 1064.021       35.60605  1071.816       
43.09187  1047.246       63.21464  324.4964 6.530314 320.5426 9.697964 
3.953796       11.69169 
1 1 1 4   4  11 o 428.9244 5.679915 1872.763       49.54206  1879.066       
61.15012  1860.724       84.51484  429.5173 7.001083 427.0683 9.731598 
2.448975       11.98829 
1 1 1 4   4  12 o 242.2927 4.830435 597.5962       23.80006  615.3069       
33.87754  580.3366       33.44339  245.7182 6.779898 238.6244 6.891980 
7.093811       9.667802 
1 1 1 4   4  13 o 170.5910 5.569869 296.4979       19.32203  316.6173       
27.31905  276.3596       27.33189  176.1266 7.627625 164.5025 8.170446 
11.62405       11.17752 
1 1 1 4   4  14 o 177.3584 5.420250 320.6046       19.54891  336.1228       
27.59145  304.9624       27.70154  181.4030 7.479604 172.7460 7.885777 
8.656998       10.86876 
1 1 1 4   4  15 o 181.9353 5.756134 337.6310       21.29606  362.4272       
30.69351  314.6135       29.57213  188.2156 8.019355 175.3237 8.294509 
12.89197       11.53728 
1 1 1 4   4  16 o 355.4019 5.045257 1288.000       36.46318  1261.646       
50.71515  1316.201       52.46268  351.2507 7.100177 358.7380 7.191535 
-7.487366      10.10597 
1 1 1 4   4  17 o 45.19886 16.50244 17.89332       19.73649  31.08533       
31.76035  9.594300       25.19086  57.86143 20.96328 44.16791 17.93862 
13.69353       27.59082 
1 1 1 4   4  18 o 80.07706 12.45609 68.12681       19.62416  71.24464       
29.08503  65.52129       26.58824  80.31850 18.22533 77.18692 17.36012 
3.131577       25.17015 
1 1 1 4   4  19 o 206.2456 6.245214 435.5663       26.19289  418.5731       
37.96691  450.9994       36.18219  201.3315 9.273465 209.2406 8.503495 
-7.909073      12.58199 
1 1 1 4   4  20 o 84.96992 12.07699 77.43942       20.28047  61.90625       
29.83075  90.78891       27.65454  73.22338 19.63196 90.71149 15.55147 
-17.48811      25.04519 
1 1 1 4   4  21 o 185.8509 7.407882 358.3766       27.99691  401.7581       
34.06763  268.1277       49.13718  196.1320 8.541657 154.7399 15.83873 
41.39204       17.99515 
1 1 1 4   5  0  o 315.8655 3.531290 1014.711       22.68229  1003.513       
31.88401  1026.185       32.27477  314.0757 4.992145 317.6037 4.997193 
-3.528046      7.063530 
1 1 1 4   5  1  o 526.9420 4.892546 2824.999       52.42630  2900.216       
107.4974  2801.525       60.05219  533.3948 9.910549 524.6953 5.628210 
8.699524       11.39718 
1 1 1 4   5  2  o 581.1232 10.58363 3446.212       125.0703  0.000000       
0.000000  3446.212       125.0703  ?        ?        581.1232 10.58363 
0.000000       10.58363 
1 1 1 4   5  3  o 318.0871 4.279053 1029.455       27.67867  1056.375       
34.56023  981.3047       46.22186  322.1624 5.275338 310.3565 7.323776 
11.80588       9.025901 
1 1 1 4   5  4  o 73.31369 6.036788 55.08783       8.920002  54.44955       
11.02636  56.29660       15.17396  72.71745 7.567479 73.55006 10.43816 
-0.8326111     12.89271 
1 1 1 4   5  5  o 72.55454 6.933944 54.08367       10.10592  68.40417       
17.99524  47.48668       12.21382  81.12222 11.20790 67.65752 9.108839 
13.46469       14.44258 
1 1 1 4   5  6  o 696.1307 6.251068 4931.461       88.49046  5064.719       
127.9336  4809.222       122.5300  705.1601 8.921656 687.1639 8.768611 
17.99622       12.50938 
1 1 1 4   5  7  o 357.4254 4.267969 1299.373       31.02117  1283.577       
43.60828  1315.554       44.13762  355.1885 6.037520 359.5856 6.036084 
-4.397034      8.537328 
1 1 1 4   5  8  o 732.6510 6.588624 5461.887       98.16197  5537.303       
140.4050  5389.779       137.2913  737.4089 9.363169 727.5294 9.279854 
9.879456       13.18274 
1 1 1 4   5  9  o 303.1062 5.119345 934.6371       31.55445  951.5833       
54.83589  926.2479       38.58230  305.6812 8.821548 301.7019 6.288668 
3.979279       10.83361 
1 1 1 4   5  10 o 163.4117 6.627795 271.8272       22.02438  289.8892       
26.54356  231.9096       39.46011  168.7179 7.736535 150.1262 13.05558 
18.59171       15.17570 
1 1 1 4   5  11 o 86.58379 9.343744 77.35062       16.19088  76.86350       
23.13458  77.81825       22.66729  85.59668 13.75683 86.20827 13.36248 
-0.6115952     19.17828 
1 1 1 4   5  12 o 63.64174 12.21640 42.86861       15.23531  39.09101       
21.22697  46.88215       21.87981  60.63562 16.68884 66.16230 16.35532 
-5.526680      23.36695 
1 1 1 4   5  13 o 231.5415 4.791302 545.9440       22.55972  546.8790       
31.78576  544.9950       32.02411  231.5642 6.750093 231.1584 6.812646 
0.4057922      9.590407 
1 1 1 4   5  14 o 78.94387 9.833835 64.83831       15.44450  78.37373       
21.95435  51.57688       21.73101  86.29021 12.90798 69.17470 15.79539 
17.11551       20.39878 
1 1 1 4   5  15 o 221.6466 5.926410 501.2252       26.71187  538.6069       
46.91207  483.2906       32.49387  229.0241 10.07284 217.4451 7.348527 
11.57898       12.46848 
1 1 1 4   5  16 o 118.5308 9.184555 145.0772       21.96528  127.9469       
25.63611  192.3763       42.59876  110.7567 11.55233 134.7739 15.84568 
-24.01722      19.60974 
1 1 1 4   5  17 o 40.34653 16.16458 8.982003       20.15478  19.52021       
34.27882  3.414032       24.91673  53.71311 21.22263 41.28140 17.39339 
12.43171       27.43957 
1 1 1 4   5  18 o 81.52409 12.27979 70.49795       19.72605  65.48107       
28.05681  75.40202       27.73959  76.94663 18.21348 82.99715 17.00720 
-6.050522      24.91938 
1 1 1 4   5  19 o 45.73033 16.38683 19.56046       19.34367  22.74327       
27.20123  16.30412       27.51361  51.21403 19.24886 48.24014 19.02826 
2.973888       27.06646 
1 1 1 4   5  20 o 167.1440 6.880573 287.5177       23.38659  374.6178       
35.51609  220.8409       31.07442  189.8913 9.197477 144.9339 10.61731 
44.95735       14.04709 
1 1 1 4   5  21 f 35.57803 15.30460 1.736140       19.99567  23.77132       
24.12058  -46.67826      35.75335  48.85853 18.17255 34.54610 16.70417 
14.31242       24.68341 
1 1 1 4   6  0  o 1053.587 8.807251 11307.02       188.6957  11452.39       
270.1151  11168.47       263.7122  1059.354 12.53881 1046.184 12.39569 
13.17053       17.63165 
1 1 1 4   6  1  o 451.1129 5.048208 2070.634       46.30991  2197.599       
84.46956  2016.073       55.37352  464.3815 8.944867 445.0550 6.118389 
19.32654       10.83722 
1 1 1 4   6  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   6  3  o 390.2040 4.721848 1549.406       37.46753  1536.864       
45.79230  1574.809       65.16941  388.5398 5.795695 393.0668 8.153160 
-4.527008      10.00320 
1 1 1 4   6  4  o 168.4979 3.573484 288.7981       12.24441  325.1136       
17.67516  255.2897       16.97828  178.7462 4.862673 158.3821 5.271522 
20.36406       7.171787 
1 1 1 4   6  5  o 186.4681 4.290546 353.7082       16.26929  304.4137       
27.30803  380.8324       20.25672  172.8901 7.767277 193.4647 5.148917 
-20.57463      9.318902 
1 1 1 4   6  6  o 559.2310 5.313006 3181.759       60.42032  3175.722       
85.14835  3187.882       85.74929  558.5325 7.496807 559.5973 7.535351 
-1.064819      10.62938 
1 1 1 4   6  7  f 641.6033 5.923017 4188.181       77.27891  4351.758       
112.9259  4044.103       105.9821  653.7977 8.493734 630.2845 8.268835 
23.51318       11.85399 
1 1 1 4   6  8  o 745.8254 6.688510 5660.276       101.4420  5626.825       
142.7188  5694.432       144.2143  743.3281 9.441679 747.7751 9.483878 
-4.447083      13.38242 
1 1 1 4   6  9  o 303.0247 5.129318 934.1499       31.60742  918.7708       
53.61734  942.3407       39.12932  300.3605 8.778312 304.3067 6.323235 
-3.946228      10.81860 
1 1 1 4   6  10 o 630.8232 6.954398 4051.454       89.21104  4065.548       
109.2111  4023.188       154.6589  631.7133 8.501495 627.7758 12.11487 
3.937500       14.80019 
1 1 1 4   6  11 o 370.1339 4.737969 1394.146       35.66174  1458.985       
51.80875  1335.762       49.16191  378.4795 6.731461 362.1492 6.675591 
16.33026       9.480300 
1 1 1 4   6  12 o 338.1419 4.720625 1163.932       32.46011  1155.423       
45.74509  1172.562       46.06767  336.7062 6.681007 339.1946 6.678761 
-2.488403      9.446783 
1 1 1 4   6  13 o 186.0418 5.244980 352.5840       19.84293  346.6229       
28.36000  358.3011       27.77347  184.2743 7.568155 187.3795 7.288812 
-3.105148      10.50732 
1 1 1 4   6  14 o 82.24827 9.390099 70.17483       15.42386  85.19029       
21.74489  54.97077       21.88102  90.18797 12.16706 71.47817 15.50013 
18.70979       19.70511 
1 1 1 4   6  15 o 161.9053 6.987441 267.8215       23.00545  319.3098       
40.14268  242.6408       28.07285  175.7541 11.29156 153.5998 9.027298 
22.15433       14.45654 
1 1 1 4   6  16 o 255.0145 6.056218 664.0639       31.40637  659.3006       
37.05567  676.2117       59.17661  253.8790 7.177555 255.9604 11.36909 
-2.081467      13.44521 
1 1 1 4   6  17 o 83.54439 12.65475 74.00001       20.82602  57.55190       
33.87334  83.99599       26.40660  72.30670 21.47454 88.38807 15.24207 
-16.08137      26.33394 
1 1 1 4   6  18 o 119.5047 8.967102 147.7430       21.63269  115.8166       
30.79558  178.8440       30.39485  104.0440 14.98769 130.8549 11.54063 
-26.81087      18.91605 
1 1 1 4   6  19 o 233.3892 8.565811 561.4927       40.65376  561.4927       
40.65376  0.000000       0.000000  233.3892 8.565811 ?        ?        
0.000000       8.565811 
1 1 1 4   6  20 o 92.74527 10.99260 91.36654       20.32861  105.1896       
30.24996  79.98291       27.45135  97.56264 15.78644 84.48022 16.57131 
13.08243       22.88711 
1 1 1 4   6  21 o 108.1298 10.38111 124.8188       22.54601  131.8409       
27.53571  110.5348       39.27253  109.9965 12.53405 95.23811 20.85573 
14.75843       24.33237 
1 1 1 4   7  0  o 341.0373 3.675382 1182.976       25.48917  1203.714       
36.42358  1163.073       35.68213  343.9535 5.207526 338.0981 5.189871 
5.855408       7.352081 
1 1 1 4   7  1  o 192.3561 6.326406 376.6744       24.74653  376.6744       
24.74653  0.000000       0.000000  192.3561 6.326406 ?        ?        
0.000000       6.326406 
1 1 1 4   7  2  o 200.4134 3.205016 408.5401       13.06196  460.6810       
19.31520  364.6010       17.73110  212.7818 4.463889 189.2924 4.606287 
23.48940       6.414373 
1 1 1 4   7  3  o 365.9292 4.567852 1362.556       33.99073  1413.014       
42.74487  1275.773       56.05824  372.5668 5.641940 353.8210 7.791202 
18.74579       9.619476 
1 1 1 4   7  4  f 177.5183 3.574428 320.5429       12.90331  347.1567       
18.44915  295.0588       18.05335  184.7071 4.911809 170.2761 5.213781 
14.43097       7.163057 
1 1 1 4   7  5  o 347.6511 4.663860 1229.576       32.97164  1230.436       
57.16818  1229.147       40.36082  347.5747 8.088253 347.5413 5.710868 
0.3338623E-01  9.901204 
1 1 1 4   7  6  o 287.7556 3.918355 842.1865       22.92867  878.7517       
32.82095  807.3297       32.04505  293.8905 5.491793 281.6909 5.594184 
12.19962       7.839303 
1 1 1 4   7  7  o 226.7839 4.083770 523.0872       18.83323  554.6044       
27.05381  493.4522       26.23356  233.4834 5.697980 220.2317 5.857686 
13.25171       8.171870 
1 1 1 4   7  8  o 325.9836 4.296681 1080.828       28.48264  1178.057       
41.98479  997.9258       38.76828  340.2743 6.067522 313.1801 6.087387 
27.09415       8.594830 
1 1 1 4   7  9  o 214.2935 5.364499 467.2076       23.37704  474.3450       
39.28126  463.2935       29.08905  215.8043 8.951049 213.3566 6.704586 
2.447662       11.18359 
1 1 1 4   7  10 o 310.2216 5.391332 979.3163       34.01101  961.4125       
40.58051  1021.579       62.34851  307.3159 6.493534 316.5550 9.685577 
-9.239105      11.66089 
1 1 1 4   7  11 o 357.4560 4.727937 1300.312       34.36732  1324.710       
49.19479  1277.054       48.03154  360.6339 6.708125 354.0911 6.670527 
6.542816       9.460173 
1 1 1 4   7  12 o 162.2620 5.697783 268.1754       18.80070  255.0362       
26.36306  281.7733       26.81923  157.8728 8.240353 166.1877 7.935900 
-8.314896      11.44036 
1 1 1 4   7  13 o 187.6262 5.273200 358.6404       20.11959  385.1669       
28.69713  332.9963       28.21578  194.2706 7.264068 180.5954 7.683053 
13.67519       10.57336 
1 1 1 4   7  14 o 163.3766 5.691298 272.1539       18.90830  263.6038       
26.44860  281.0921       27.04203  160.3533 8.137648 165.8098 8.020059 
-5.456497      11.42553 
1 1 1 4   7  15 o 193.8121 6.353389 383.4904       25.04020  395.9531       
43.34782  377.2492       30.67603  195.8637 10.92688 192.0219 7.855917 
3.841782       13.45779 
1 1 1 4   7  16 o 156.3625 7.806749 250.3957       24.82299  282.0248       
29.47297  173.2029       46.04355  165.5595 8.785686 126.8382 18.38732 
38.72131       20.37846 
1 1 1 4   7  17 o 196.6350 6.896240 395.6632       27.57557  417.2246       
47.80263  384.9097       33.75881  200.3704 11.78373 193.6072 8.574608 
6.763214       14.57327 
1 1 1 4   7  18 o 92.14551 11.11025 89.13898       20.39859  88.87632       
28.54321  89.41315       29.16268  90.52708 16.09479 90.69875 16.41590 
-0.1716766     22.98966 
1 1 1 4   7  19 o 147.7911 7.829735 225.3167       23.44744  214.6096       
33.23794  235.9236       33.08199  143.0337 11.52510 150.2450 10.90202 
-7.211365      15.86449 
1 1 1 4   7  20 o 175.7149 6.769180 317.8312       24.18779  318.1144       
35.17707  317.5771       33.31244  174.2894 9.966525 174.4076 9.427695 
-0.1182251     13.71908 
1 1 1 4   7  21 o 45.48527 16.78774 20.43709       20.50598  27.63668       
25.31061  6.684420       34.98179  51.20605 18.68923 46.48800 20.11951 
4.718044       27.46055 
1 1 1 4   8  0  o 202.7094 3.479245 417.9449       14.34202  403.4951       
25.98442  424.2755       17.19916  199.0920 6.418120 204.2242 4.141414 
-5.132217      7.638297 
1 1 1 4   8  1  o 222.2104 4.479202 502.3874       20.24027  576.4944       
31.09940  447.9316       26.65903  237.9523 6.427036 209.7560 6.249980 
28.19632       8.964879 
1 1 1 4   8  2  o 546.9591 5.059545 3044.714       56.27529  3023.127       
79.06102  3066.884       80.12010  544.7590 7.136850 548.6808 7.180758 
-3.921875      10.12413 
1 1 1 4   8  3  o 229.1914 3.929715 534.4001       18.31516  512.7536       
22.30844  579.1613       32.07939  224.4665 4.887269 238.4719 6.615115 
-14.00540      8.224667 
1 1 1 4   8  4  o 161.5296 4.268130 265.4441       14.01978  298.0803       
17.32009  203.4244       23.87620  171.1543 4.976351 141.0457 8.361721 
30.10863       9.730491 
1 1 1 4   8  5  o 132.0226 4.162543 177.2997       11.17528  173.2591       
15.77813  181.3671       15.83046  130.4798 5.946491 133.5002 5.831230 
-3.020416      8.328506 
1 1 1 4   8  6  o 424.4070 4.512972 1832.175       38.94903  1785.408       
54.01403  1882.833       56.21646  418.8707 6.341254 430.1424 6.426874 
-11.27173      9.028632 
1 1 1 4   8  7  o 318.4468 5.894124 1031.720       38.16872  1031.720       
38.16872  0.000000       0.000000  318.4468 5.894124 ?        ?        
0.000000       5.894124 
1 1 1 4   8  8  o 288.3522 4.231846 845.6893       24.81445  854.6285       
34.91347  836.5639       35.27519  289.8265 5.923842 286.7431 6.049575 
3.083374       8.466951 
1 1 1 4   8  9  o 176.3701 5.798388 316.5186       20.79618  302.7007       
34.03697  324.7495       26.26974  172.0824 9.766896 178.6111 7.232626 
-6.528702      12.15332 
1 1 1 4   8  10 o 626.4869 6.954608 3996.354       88.60049  3996.701       
107.7432  3995.629       155.7098  626.3004 8.459713 625.4968 12.24164 
0.8036499      14.88034 
1 1 1 4   8  11 o 197.9502 5.231926 398.8602       21.06051  396.5439       
29.73746  401.1911       29.83088  197.2631 7.413214 198.4168 7.393263 
-1.153717      10.46977 
1 1 1 4   8  12 o 603.8409 5.911329 3714.653       72.58705  3721.194       
102.7099  3708.126       102.5974  603.7797 8.365316 602.7171 8.370885 
1.062622       11.83428 
1 1 1 4   8  13 o 150.0581 5.870028 229.5225       17.91229  229.9646       
25.12943  229.0659       25.53915  149.7922 8.281936 149.4759 8.436498 
0.3163300      11.82222 
1 1 1 4   8  14 o 31.79374 13.43460 1.015169       14.93448  -10.18969      
21.15925  12.13842       21.08206  33.11414 14.91605 42.93032 16.73871 
-9.816177      22.42037 
1 1 1 4   8  15 o 150.6355 7.194859 231.9507       22.03946  223.7858       
38.18573  236.0292       26.98839  146.5495 12.94657 151.5054 8.797746 
-4.955963      15.65293 
1 1 1 4   8  16 f 211.6315 6.605546 457.8037       28.42761  441.4908       
32.97149  505.0562       56.11572  207.6089 7.809822 220.4283 12.57097 
-12.81941      14.79941 
1 1 1 4   8  17 o 139.1707 8.495662 199.6029       23.92828  189.6803       
40.41681  204.9578       29.69100  133.7270 15.12858 140.5535 10.46293 
-6.826508      18.39421 
1 1 1 4   8  18 o 41.41727 17.14398 6.333235       23.57551  14.83748       
26.87995  -22.01666      49.07795  47.45359 18.77929 49.24195 22.39418 
-1.788364      29.22604 
1 1 1 4   8  19 o 74.15960 17.40599 61.42867       25.79883  71.82020       
30.32485  34.20060       49.08709  79.78033 18.96952 64.25744 25.39390 
15.52289       31.69689 
1 1 1 4   8  20 o 135.9959 8.255513 192.2937       22.72278  177.1200       
35.24726  203.0844       29.72386  128.0244 13.75449 138.7918 10.61191 
-10.76735      17.37235 
1 1 1 4   8  21 o 69.84144 15.36145 56.07335       21.22393  62.13517       
27.00528  46.28035       34.32456  72.05017 18.37428 62.25812 21.87844 
9.792049       28.57062 
1 1 1 4   9  0  o 264.4287 3.753319 711.2686       20.18253  715.8191       
36.70180  709.2960       24.16413  265.1372 6.807148 264.0359 4.500458 
1.101288       8.160355 
1 1 1 4   9  1  o 645.7907 5.734572 4245.348       75.30854  4275.757       
107.2196  4215.739       105.7993  647.7151 8.140266 643.1625 8.089298 
4.552612       11.47609 
1 1 1 4   9  2  o 419.8194 5.972991 1794.483       50.99244  0.000000       
0.000000  1794.483       50.99244  ?        ?        419.8194 5.972991 
0.000000       5.972991 
1 1 1 4   9  3  o 178.8349 3.864258 325.3559       14.05303  332.1184       
17.50881  313.1115       23.55984  180.6587 4.765914 175.3472 6.607269 
5.311478       8.146775 
1 1 1 4   9  4  o 385.0360 5.892519 1508.969       46.13747  1508.969       
46.13747  0.000000       0.000000  385.0360 5.892519 ?        ?        
0.000000       5.892519 
1 1 1 4   9  5  o 416.2145 4.388419 1762.222       37.14298  1762.758       
52.47504  1761.685       52.58133  416.1800 6.200406 416.0524 6.214871 
0.1275940      8.778933 
1 1 1 4   9  6  o 504.1139 4.981802 2585.193       51.07008  2672.665       
73.90470  2505.250       70.65300  512.4417 7.092123 496.1387 7.002871 
16.30298       9.966865 
1 1 1 4   9  7  o 622.5890 5.806995 3943.526       73.51981  3860.870       
102.0398  4032.756       106.0198  615.8510 8.147844 629.3981 8.283426 
-13.54712      11.61906 
1 1 1 4   9  8  o 476.9974 4.960803 2314.493       48.11932  2282.146       
67.07942  2348.783       69.06603  473.5454 6.965884 480.4027 7.069809 
-6.857239      9.925006 
1 1 1 4   9  9  o 155.9606 6.239312 247.5412       19.78804  247.8408       
32.84387  247.3705       24.79308  155.5793 10.44182 155.6675 7.857536 
-0.8822632E-01 13.06800 
1 1 1 4   9  10 o 79.81871 14.51529 67.19739       22.69244  67.19739       
22.69244  0.000000       0.000000  79.81871 14.51529 ?        ?        
0.000000       14.51529 
1 1 1 4   9  11 o 282.0325 4.745622 809.5430       27.21722  794.2184       
38.02971  825.6342       38.96940  279.2165 6.697775 284.6825 6.731496 
-5.465973      9.495958 
1 1 1 4   9  12 o 378.6196 4.832098 1459.555       37.20405  1467.792       
52.53470  1451.268       52.69461  379.4314 6.808659 377.2806 6.868315 
2.150757       9.671173 
1 1 1 4   9  13 o 264.0857 4.756113 710.3087       25.54162  741.0320       
36.64252  681.2733       35.62171  269.5139 6.685790 258.4063 6.778917 
11.10767       9.521214 
1 1 1 4   9  14 o 132.0076 6.488952 177.8585       17.41907  171.6126       
23.93157  184.8960       25.40278  129.1063 9.175069 133.9965 9.381774 
-4.890244      13.12248 
1 1 1 4   9  15 o 215.2440 7.637371 473.9815       33.42923  474.4502       
45.66120  473.4402       49.07537  214.7744 10.45475 214.0501 11.31467 
0.7242279      15.40531 
1 1 1 4   9  16 o 129.6312 10.46125 174.2604       27.34196  174.2604       
27.34196  0.000000       0.000000  129.6312 10.46125 ?        ?        
0.000000       10.46125 
1 1 1 4   9  17 o 59.65257 16.81909 38.68332       21.28278  25.50646       
34.09297  47.09715       27.24303  56.08633 21.43973 65.63774 19.19543 
-9.551411      28.77719 
1 1 1 4   9  18 o 179.3673 6.816886 329.5331       24.86455  318.0908       
35.63718  340.3869       34.70877  175.2030 10.04447 181.4545 9.438910 
-6.251511      13.78348 
1 1 1 4   9  19 o 221.3439 8.780881 506.0136       39.52366  506.0136       
39.52366  0.000000       0.000000  221.3439 8.780881 ?        ?        
0.000000       8.780881 
1 1 1 4   9  20 o 60.06697 17.43808 41.00724       22.55672  64.46998       
45.49229  33.35833       25.97455  73.43173 25.22193 55.57995 19.06010 
17.85178       31.61382 
1 1 1 4   9  21 o 34.05699 15.06295 -2.662858      20.56781  28.32155       
26.68854  -47.97929      32.27610  51.72578 19.13986 31.82271 15.49886 
19.90307       24.62822 
1 1 1 4   10 0  o 199.5999 6.466780 405.6697       26.24821  405.6697       
26.24821  0.000000       0.000000  199.5999 6.466780 ?        ?        
0.000000       6.466780 
1 1 1 4   10 1  o 337.8968 3.700869 1161.488       25.42958  1167.664       
36.14180  1155.433       35.78655  338.7053 5.247306 336.9284 5.223130 
1.776917       7.403736 
1 1 1 4   10 2  o 320.6581 5.181253 1046.540       33.78536  0.000000       
0.000000  1046.540       33.78536  ?        ?        320.6581 5.181253 
0.000000       5.181253 
1 1 1 4   10 3  o 302.6812 4.226164 932.0946       26.01257  935.2596       
32.12936  926.0728       44.31787  303.1460 5.211932 301.5231 7.227812 
1.622894       8.910976 
1 1 1 4   10 4  o 246.2262 5.101614 616.9053       25.54426  616.9053       
25.54426  0.000000       0.000000  246.2262 5.101614 ?        ?        
0.000000       5.101614 
1 1 1 4   10 5  o 219.6606 3.739178 490.7615       16.70244  508.5561       
23.76210  473.3839       23.48201  223.5720 5.226560 215.6988 5.353478 
7.873215       7.481755 
1 1 1 4   10 6  o 273.7958 3.953824 762.4418       22.01383  759.4961       
30.68751  765.5646       31.59692  273.2270 5.523147 274.3122 5.664325 
-1.085175      7.911367 
1 1 1 4   10 7  o 740.3322 6.618111 5577.204       99.63504  5560.633       
140.3295  5594.049       141.4881  738.9434 9.338698 741.1542 9.387715 
-2.210876      13.24162 
1 1 1 4   10 8  o 190.5467 4.701140 369.3287       18.21613  369.0375       
25.17299  369.6488       26.39331  190.4339 6.500387 190.5838 6.810144 
-0.1499329     9.414515 
1 1 1 4   10 9  o 272.1492 4.557014 753.4554       25.21964  724.5275       
34.79245  785.4824       36.60873  266.8068 6.412637 277.8005 6.480375 
-10.99371      9.116862 
1 1 1 4   10 10 o 721.8730 9.380875 5313.583       137.7068  5313.583       
137.7068  0.000000       0.000000  721.8730 9.380875 ?        ?        
0.000000       9.380875 
1 1 1 4   10 11 f 215.9384 5.062922 474.6613       22.23220  498.3262       
31.36547  450.7668       31.51724  221.1410 6.974789 210.2969 7.369937 
10.84410       10.14710 
1 1 1 4   10 12 o 175.9487 6.415484 315.5620       22.95445  307.8048       
26.76900  337.1112       44.61663  173.6864 7.579051 180.8643 12.20222 
-7.177872      14.36441 
1 1 1 4   10 13 o 112.0436 8.628530 129.1277       19.50836  116.5845       
23.17996  159.5845       36.12028  106.0482 10.90409 123.4279 14.67868 
-17.37968      18.28559 
1 1 1 4   10 14 f 133.1986 6.644614 181.1359       17.99786  209.0155       
25.59873  153.8830       25.30937  142.5848 8.872622 121.9993 10.29794 
20.58542       13.59305 
1 1 1 4   10 15 o 324.2572 5.704677 1072.848       37.61596  1094.487       
65.61794  1062.256       45.90808  326.3573 9.887303 322.3639 7.003117 
3.993469       12.11620 
1 1 1 4   10 16 o 132.7608 10.29413 182.6734       27.57415  182.6734       
27.57415  0.000000       0.000000  132.7608 10.29413 ?        ?        
0.000000       10.29413 
1 1 1 4   10 17 o 240.9126 5.632950 592.7963       27.59605  517.7838       
38.00719  676.4343       40.13292  224.5558 8.323197 256.8488 7.683724 
-32.29306      11.32763 
1 1 1 4   10 18 o 72.80623 14.44702 57.51466       20.63444  58.70304       
29.33010  56.35006       29.03515  72.49590 19.47903 71.08045 19.49980 
1.415451       27.56220 
1 1 1 4   10 19 o 143.6147 7.806679 213.0266       22.71339  201.5113       
32.64690  223.8295       31.62083  138.3250 11.71628 146.2370 10.70767 
-7.911926      15.87216 
1 1 1 4   10 20 o 58.73005 18.95368 38.89487       25.77046  0.000000       
0.000000  38.89487       25.77046  ?        ?        58.73005 18.95368 
0.000000       18.95368 
1 1 1 4   10 21 o 66.32253 18.63766 53.27727       26.17920  99.15357       
39.04092  15.79548       35.28873  88.48923 21.83083 49.28081 20.72815 
39.20842       30.10384 
1 1 1 4   11 0  o 508.2505 5.512083 2629.498       56.96984  2761.522       
103.6418  2572.336       68.19672  520.2131 9.797201 502.5623 6.673016 
17.65085       11.85387 
1 1 1 4   11 1  o 113.4499 3.248026 130.9209       7.493330  149.9875       
10.88475  113.7441       10.33124  121.4091 4.408752 105.7200 4.805559 
15.68915       6.521541 
1 1 1 4   11 2  o 444.6511 5.044395 2012.241       45.61208  1975.547       
77.28536  2031.854       56.50139  440.1678 8.634308 446.7003 6.220015 
-6.532532      10.64142 
1 1 1 4   11 3  o 285.7751 3.608427 830.7243       20.96977  835.3539       
24.49180  818.0099       40.58783  286.5483 4.203116 283.4086 7.042573 
3.139709       8.201465 
1 1 1 4   11 4  o 284.7278 5.372389 824.9489       31.10633  824.9489       
31.10633  0.000000       0.000000  284.7278 5.372389 ?        ?        
0.000000       5.372389 
1 1 1 4   11 5  o 357.9421 4.113790 1303.211       29.94376  1302.299       
42.18709  1304.138       42.50850  357.7487 5.798960 357.9992 5.839051 
-0.2505188     8.229364 
1 1 1 4   11 6  o 319.3661 4.119061 1037.384       26.75090  1040.984       
37.19142  1033.526       38.50577  319.8716 5.717625 318.7158 5.941154 
1.155823       8.245517 
1 1 1 4   11 7  o 647.5115 5.985146 4265.809       78.80860  4112.058       
107.8329  4442.084       115.4622  635.5388 8.343684 660.5244 8.596061 
-24.98560      11.97954 
1 1 1 4   11 8  o 534.1005 5.345164 2902.171       58.05444  2949.574       
82.65602  2856.019       81.55775  538.2870 7.551081 529.6798 7.571822 
8.607239       10.69352 
1 1 1 4   11 9  o 309.4707 5.364983 974.5088       33.76287  1000.987       
40.43428  913.5316       61.36016  313.6003 6.340475 299.3488 10.07993 
14.25146       11.90826 
1 1 1 4   11 10 o 230.5073 6.796891 541.1088       31.86005  541.1088       
31.86005  0.000000       0.000000  230.5073 6.796891 ?        ?        
0.000000       6.796891 
1 1 1 4   11 11 o 67.18309 12.34439 47.66145       16.24331  84.97608       
22.76141  8.936550       23.18754  90.19601 12.76623 43.02583 17.30274 
47.17018       21.50259 
1 1 1 4   11 12 o 121.7698 7.028939 151.7409       17.33127  141.6052       
24.43954  161.9945       24.58131  117.1619 10.36476 125.4764 9.709233 
-8.314491      14.20202 
1 1 1 4   11 13 o 161.2494 7.943299 265.7197       26.04656  265.7197       
26.04656  0.000000       0.000000  161.2494 7.943299 ?        ?        
0.000000       7.943299 
1 1 1 4   11 14 o 427.5313 5.120597 1863.161       44.51844  1818.945       
61.93526  1910.425       64.03436  421.9044 7.218923 432.3644 7.283024 
-10.45993      10.25453 
1 1 1 4   11 15 o 249.8617 5.067659 636.6078       25.74889  603.2520       
35.66212  672.9348       37.21646  242.8681 7.220798 256.5298 7.134210 
-13.66162      10.15071 
1 1 1 4   11 16 o 85.69866 14.82496 78.82295       24.90055  78.82295       
24.90055  0.000000       0.000000  85.69866 14.82496 ?        ?        
0.000000       14.82496 
1 1 1 4   11 17 f 135.9834 7.684447 190.2234       21.16256  155.2972       
29.69243  226.2823       30.17005  121.7146 12.15913 147.7556 10.10166 
-26.04104      15.80785 
1 1 1 4   11 18 o 98.69714 11.75487 102.6685       23.12841  60.14726       
37.54236  128.6782       29.36203  73.35809 22.77764 110.1125 13.38838 
-36.75439      26.42101 
1 1 1 4   11 19 o 155.8469 8.151779 251.2361       25.74485  220.6062       
42.49743  268.9939       32.35828  143.2172 14.80577 160.6128 9.956341 
-17.39555      17.84207 
1 1 1 4   11 20 o 153.4335 8.336486 245.3011       25.91323  224.9564       
47.35700  253.9960       30.95931  141.8710 16.73717 155.4021 9.847673 
-13.53113      19.41931 
1 1 1 4   11 21 o 36.23513 15.40155 4.236627       19.81697  19.57498       
24.08824  -27.88374      34.85827  46.06455 17.91137 37.03942 17.51595 
9.025135       25.05246 
1 1 1 4   12 0  o 334.3542 3.654820 1137.273       24.84987  1130.979       
51.17708  1139.214       28.42585  333.1398 7.554359 334.6124 4.177534 
-1.472595      8.632504 
1 1 1 4   12 1  o 252.8412 3.304318 650.2862       16.98952  641.0591       
23.82089  659.8395       24.23817  250.9872 4.667185 254.6364 4.680884 
-3.649246      6.610090 
1 1 1 4   12 2  o 450.5038 5.091782 2065.504       46.64656  2003.479       
78.15311  2099.827       58.13781  443.2932 8.669694 454.1188 6.295610 
-10.82556      10.71440 
1 1 1 4   12 3  o 299.1631 3.666723 910.3787       22.30682  887.0850       
25.59202  984.0378       45.50915  295.2890 4.261925 310.8421 7.199584 
-15.55307      8.366482 
1 1 1 4   12 4  o 617.8916 6.520998 3886.256       81.93657  3886.256       
81.93657  0.000000       0.000000  617.8916 6.520998 ?        ?        
0.000000       6.520998 
1 1 1 4   12 5  o 201.7263 5.308562 414.0132       21.77664  414.0132       
21.77664  0.000000       0.000000  201.7263 5.308562 ?        ?        
0.000000       5.308562 
1 1 1 4   12 6  o 161.1185 5.354280 264.0872       17.54276  262.2784       
19.63279  271.2517       39.07281  160.5544 6.013239 162.6849 11.89313 
-2.130508      13.32688 
1 1 1 4   12 7  o 678.3815 7.172452 4683.704       98.94483  4706.473       
121.2408  4638.296       171.2121  679.8659 8.769482 674.4240 12.48389 
5.441895       15.25619 
1 1 1 4   12 8  o 505.5993 5.215785 2600.709       53.62626  2555.608       
74.52583  2649.135       77.22408  501.0526 7.314289 510.1280 7.444271 
-9.075409      10.43628 
1 1 1 4   12 9  o 149.6210 5.849603 227.8334       17.79797  230.6672       
24.60283  224.7223       25.77859  150.2678 8.081014 148.2682 8.586630 
1.999619       11.79123 
1 1 1 4   12 10 o 414.0193 5.596897 1744.882       47.12153  1715.673       
57.53595  1804.385       82.12137  410.4166 6.893867 420.5465 9.602641 
-10.12991      11.82100 
1 1 1 4   12 11 o 294.3809 4.694220 882.1202       28.10117  825.9991       
38.29507  947.5975       41.36427  284.7054 6.614482 304.9366 6.670591 
-20.23126      9.394050 
1 1 1 4   12 12 o 175.2569 5.678314 312.9772       20.23700  290.2002       
28.65406  335.6444       28.58495  168.5465 8.360166 181.3231 7.752342 
-12.77654      11.40137 
1 1 1 4   12 13 o 368.1344 4.844652 1380.672       36.26773  1348.463       
50.83780  1414.054       51.75513  363.4517 6.878420 372.1946 6.838044 
-8.742981      9.699047 
1 1 1 4   12 14 o 339.6798 4.892799 1175.962       33.79703  1179.785       
47.67714  1172.100       47.91620  339.8331 6.899110 338.7111 6.956672 
1.122040       9.797603 
1 1 1 4   12 15 f 204.3658 6.353248 426.6469       26.40313  507.6057       
47.56641  390.5941       31.74226  222.0094 10.53604 195.2751 7.993546 
26.73427       13.22517 
1 1 1 4   12 16 o 42.44867 19.11414 -14.18183      34.71087  -14.18183      
34.71087  0.000000       0.000000  42.44867 19.11414 ?        ?        
0.000000       19.11414 
1 1 1 4   12 17 o 70.95916 13.79255 54.31644       19.18545  24.01874       
26.82208  86.05756       27.45357  52.02667 19.20031 89.19092 15.71046 
-37.16425      24.80867 
1 1 1 4   12 18 o 44.14722 16.53679 16.31930       20.04313  25.05256       
27.92959  7.046062       28.78008  52.80765 19.57194 45.09548 18.82676 
7.712173       27.15710 
1 1 1 4   12 19 f 101.3494 10.27490 107.9961       20.88361  85.28304       
29.26644  131.5588       29.80879  87.42365 17.07475 110.7193 13.52030 
-23.29565      21.77947 
1 1 1 4   12 20 o 92.74709 12.37399 93.25481       22.75575  98.00331       
41.47670  91.20998       27.21787  89.15833 22.78981 90.25148 15.38179 
-1.093147      27.49500 
1 1 1 4   12 21 o 158.2900 9.751138 267.0445       31.23499  267.0445       
31.23499  0.000000       0.000000  158.2900 9.751138 ?        ?        
0.000000       9.751138 
1 1 1 4   13 0  o 303.7538 4.096230 938.7662       25.30215  949.9634       
45.25908  933.6755       30.51639  305.3372 7.289113 302.8818 4.954600 
2.455353       8.813581 
1 1 1 4   13 1  o 248.1723 3.887582 626.5861       19.61934  590.5208       
23.12669  719.1804       37.05614  240.8910 4.721080 265.7145 6.857937 
-24.82352      8.325857 
1 1 1 4   13 2  o 483.9770 6.565473 2385.136       64.61630  2398.524       
90.61929  2371.288       92.16277  484.9899 9.188329 482.1961 9.398973 
2.793823       13.14405 
1 1 1 4   13 3  f 343.1679 4.505342 1198.115       31.44024  1198.115       
31.44024  0.000000       0.000000  343.1679 4.505342 ?        ?        
0.000000       4.505342 
1 1 1 4   13 4  o 443.3811 5.217642 2000.212       47.04386  2000.212       
47.04386  0.000000       0.000000  443.3811 5.217642 ?        ?        
0.000000       5.217642 
1 1 1 4   13 5  o 260.5240 3.798120 690.3170       20.12185  683.2866       
23.45545  709.9117       39.15836  259.1793 4.450328 264.0881 7.291625 
-4.908783      8.542437 
1 1 1 4   13 6  o 434.7666 4.666411 1922.702       41.25633  1925.566       
57.59740  1919.684       59.12304  435.0058 6.511131 434.3311 6.693979 
0.6746826      9.338318 
1 1 1 4   13 7  o 521.8280 5.208106 2770.166       55.26608  2849.661       
79.47373  2695.725       76.90559  529.1211 7.386132 514.6342 7.348654 
14.48688       10.41910 
1 1 1 4   13 8  o 605.7833 6.697188 3735.145       82.50137  3666.431       
139.0961  3772.438       102.4722  599.5931 11.40793 608.6329 8.279404 
-9.039734      14.09572 
1 1 1 4   13 9  o 67.79111 11.48604 48.19750       15.26876  41.39360       
21.13021  55.63234       22.08822  62.43476 16.42262 72.35280 15.48048 
-9.918034      22.56873 
1 1 1 4   13 10 o 80.58699 11.31040 67.64699       18.02468  54.88843       
23.01638  87.88043       28.98486  71.70425 16.17048 91.16582 16.22953 
-19.46157      22.91030 
1 1 1 4   13 11 o 111.9601 7.391538 128.3836       16.73397  114.1935       
23.35179  143.3624       23.99201  105.0519 11.09919 117.9913 10.09643 
-12.93943      15.00433 
1 1 1 4   13 12 o 225.3117 5.753240 517.3774       26.36014  492.3327       
44.71632  530.7159       32.63320  219.2679 10.02858 228.0652 7.036377 
-8.797348      12.25084 
1 1 1 4   13 13 o 87.68327 10.62823 80.06644       18.56369  117.8021       
31.78434  60.52999       22.86967  105.5461 15.25112 75.05226 15.49790 
30.49385       21.74354 
1 1 1 4   13 14 o 165.4530 6.698123 279.6241       22.53612  302.7746       
38.40429  267.4653       27.83190  171.1356 11.09520 161.3684 8.511615 
9.767181       13.98395 
1 1 1 4   13 15 o 83.20144 10.40364 72.36454       17.21745  83.50587       
23.99779  60.54596       24.71641  88.64917 13.75800 74.53391 16.71899 
14.11526       21.65196 
1 1 1 4   13 16 o 218.4542 7.913530 489.4506       35.15460  489.4506       
35.15460  0.000000       0.000000  218.4542 7.913530 ?        ?        
0.000000       7.913530 
1 1 1 4   13 17 o 91.19525 10.96150 87.28083       19.92072  88.28156       
28.04747  86.26212       28.29849  90.27286 15.85728 89.09361 16.21688 
1.179253       22.68128 
1 1 1 4   13 18 o 30.78339 14.06050 -11.75078      19.61457  -5.702384      
27.89617  -17.66492      27.58485  39.78666 17.57247 35.91051 16.50292 
3.876148       24.10680 
1 1 1 4   13 19 o 132.8334 8.081326 182.8884       21.72561  161.7872       
30.72627  203.9851       30.72304  123.3006 12.42371 139.2406 10.93847 
-15.94000      16.55291 
1 1 1 4   13 20 o 125.3601 9.511741 165.7121       24.06696  173.4730       
46.01858  162.7902       28.23625  122.0646 19.17104 123.3013 11.39001 
-1.236717      22.29935 
1 1 1 4   13 21 o 29.97571 14.26210 -24.02909      23.80202  -24.02909      
23.80202  0.000000       0.000000  29.97571 14.26210 ?        ?        
0.000000       14.26210 
1 1 1 4   14 0  o 195.2435 3.633557 387.7928       14.42647  377.1917       
26.31228  392.3494       17.25044  192.4355 6.723912 196.3662 4.319984 
-3.930710      7.992074 
1 1 1 4   14 1  o 166.5516 3.546882 282.1737       12.01288  269.3828       
19.75437  289.6794       15.13240  162.6650 5.971970 168.7312 4.410230 
-6.066132      7.423917 
1 1 1 4   14 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   14 3  o 482.4396 4.690558 2367.974       46.01707  2331.257       
52.70674  2485.699       94.37821  478.6354 5.415143 493.8249 9.398257 
-15.18954      10.84671 
1 1 1 4   14 4  o 349.6422 4.650718 1243.640       33.06704  1243.640       
33.06704  0.000000       0.000000  349.6422 4.650718 ?        ?        
0.000000       4.650718 
1 1 1 4   14 5  o 340.4604 4.073248 1178.966       28.20064  1170.134       
32.76747  1204.193       55.37873  339.1620 4.750991 343.9223 7.918287 
-4.760254      9.234240 
1 1 1 4   14 6  o 543.4041 5.295788 3004.000       58.52008  3003.794       
82.44892  3004.210       83.07439  543.2419 7.463461 543.2751 7.519621 
-0.3320313E-01 10.59471 
1 1 1 4   14 7  o 1266.565 10.59450 16348.28       272.8723  16429.44       
387.7386  16268.64       384.0868  1268.234 15.03447 1262.039 14.96598 
6.195313       21.21358 
1 1 1 4   14 8  o 680.0695 7.271837 4708.659       100.5655  5017.796       
182.5531  4573.971       120.4980  701.0748 12.80482 670.0623 8.843274 
31.01257       15.56171 
1 1 1 4   14 9  o 357.1663 4.716612 1297.985       34.25722  1214.604       
46.44636  1397.458       50.73069  345.3860 6.612956 370.4637 6.734009 
-25.07773      9.438118 
1 1 1 4   14 10 o 170.6450 6.734303 296.6580       23.36887  347.9332       
39.29443  268.5988       29.06797  184.2489 10.53127 162.0199 8.856104 
22.22900       13.76002 
1 1 1 4   14 11 o 99.95133 9.708451 103.0825       19.48391  95.73985       
33.36231  106.8831       24.00244  94.65512 17.99012 101.4398 11.85965 
-6.784698      21.54752 
1 1 1 4   14 12 o 68.99319 13.52839 50.70679       18.30200  71.94852       
32.23992  40.60643       22.23144  81.36941 19.69576 61.60152 17.12717 
19.76788       26.10101 
1 1 1 4   14 13 o 150.0007 6.156058 229.5709       18.77792  208.7453       
26.77951  249.7155       26.33797  142.4234 9.297349 156.0006 8.332569 
-13.57719      12.48489 
1 1 1 4   14 14 o 136.2762 6.700474 189.7345       18.56851  190.0962       
26.23865  189.3716       26.28108  135.7426 9.566688 135.4751 9.601847 
0.2675018      13.55422 
1 1 1 4   14 15 o 222.4086 5.346835 504.7488       24.18242  456.1664       
32.81718  562.4730       35.77175  211.0416 7.646835 234.3771 7.505396 
-23.33545      10.71471 
1 1 1 4   14 16 o 273.6870 7.411261 767.6171       41.24751  767.6171       
41.24751  0.000000       0.000000  273.6870 7.411261 ?        ?        
0.000000       7.411261 
1 1 1 4   14 17 o 142.2761 7.557881 208.2498       21.78828  194.7024       
30.31087  222.7343       31.34152  136.6607 11.00011 146.3467 10.60328 
-9.686035      15.27848 
1 1 1 4   14 18 o 79.01054 13.19748 67.15344       20.45652  60.81860       
29.22643  73.23756       28.64220  73.43845 19.31296 81.03216 17.86284 
-7.593704      26.30725 
1 1 1 4   14 19 o 145.3015 7.690862 218.4966       22.64371  208.2852       
32.23997  228.4377       31.81044  140.3962 11.39064 147.3972 10.68534 
-7.001007      15.61804 
1 1 1 4   14 20 o 44.38288 16.19347 19.38249       18.99972  9.980751       
27.56368  27.89354       26.22555  44.00457 18.40250 51.82278 19.00734 
-7.818203      26.45621 
1 1 1 4   14 21 o 94.55316 14.84684 102.7582       27.60656  102.7582       
27.60656  0.000000       0.000000  94.55316 14.84684 ?        ?        
0.000000       14.84684 
1 1 1 4   15 0  o 504.6897 4.743194 2591.964       48.67957  2474.511       
95.91290  2632.718       56.49715  492.4971 9.576833 508.5732 5.462880 
-16.07611      11.02537 
1 1 1 4   15 1  o 373.5540 7.668319 1421.688       58.25121  1421.688       
58.25121  0.000000       0.000000  373.5540 7.668319 ?        ?        
0.000000       7.668319 
1 1 1 4   15 2  o 341.2239 3.808129 1184.384       26.42425  1276.672       
39.00189  1106.077       35.92633  354.1887 5.415013 329.6794 5.358826 
24.50931       7.618358 
1 1 1 4   15 3  o 473.1102 4.641187 2277.167       44.65219  2271.145       
51.70011  2294.847       88.58756  472.4377 5.381402 474.5479 9.179971 
-2.110168      10.64102 
1 1 1 4   15 4  o 405.1194 4.993824 1669.683       41.14033  1669.683       
41.14033  0.000000       0.000000  405.1194 4.993824 ?        ?        
0.000000       4.993824 
1 1 1 4   15 5  o 118.6859 4.831188 143.2921       11.66016  131.3403       
14.15408  168.5329       20.56909  113.4448 6.158515 128.4217 7.914919 
-14.97692      10.02862 
1 1 1 4   15 6  o 189.2529 5.146445 364.3609       19.80620  350.9383       
35.18867  370.5851       23.96237  185.3875 9.364389 190.8407 6.174579 
-5.453262      11.21683 
1 1 1 4   15 7  o 246.8036 5.219591 619.6997       26.19627  643.7733       
47.05962  608.8905       31.53368  251.3950 9.205350 244.6073 6.339481 
6.787674       11.17710 
1 1 1 4   15 8  o 265.7947 6.526322 719.1312       35.27493  0.000000       
0.000000  719.1312       35.27493  ?        ?        265.7947 6.526322 
0.000000       6.526322 
1 1 1 4   15 9  o 78.78285 10.11163 64.36116       15.82571  54.78848       
22.13856  74.36483       22.63144  71.73674 15.61883 84.18764 13.68979 
-12.45090      20.76917 
1 1 1 4   15 10 o 253.7184 4.819713 655.2347       24.86707  654.4565       
34.71947  656.0544       35.63301  253.4366 6.736781 253.7321 6.905985 
-0.2955170     9.647635 
1 1 1 4   15 11 o 106.9276 7.757950 117.2962       16.75414  117.9829       
23.39799  116.5736       24.00141  106.7777 10.92977 106.0668 11.30178 
0.7108459      15.72228 
1 1 1 4   15 12 o 218.4993 10.03001 489.3071       44.56591  489.3071       
44.56591  0.000000       0.000000  218.4993 10.03001 ?        ?        
0.000000       10.03001 
1 1 1 4   15 13 o 199.9672 5.191237 407.6271       21.10965  426.6064       
30.05392  389.1456       29.65714  204.3210 7.233304 195.1109 7.474744 
9.210068       10.40156 
1 1 1 4   15 14 o 180.4020 5.722971 332.1172       20.99493  369.6194       
30.96749  300.2172       28.56093  189.9821 8.015707 171.1904 8.204300 
18.79173       11.47005 
1 1 1 4   15 15 o 171.2127 5.958202 299.4331       20.74449  309.4191       
28.87259  288.7775       29.82486  173.6915 8.174396 167.4624 8.788804 
6.229156       12.00266 
1 1 1 4   15 16 o 198.7254 14.42943 415.9211       57.91377  0.000000       
0.000000  415.9211       57.91377  ?        ?        198.7254 14.42943 
0.000000       14.42943 
1 1 1 4   15 17 o 73.94672 13.57128 58.92023       19.65551  68.73292       
27.48722  48.65224       28.11769  78.82342 17.59420 66.37248 19.52711 
12.45094       26.28429 
1 1 1 4   15 18 o 67.95357 15.46485 50.98436       20.88977  52.96941       
29.33013  48.94073       29.75975  68.57397 19.87798 66.20393 20.23428 
2.370041       28.36477 
1 1 1 4   15 19 o 158.9821 7.339419 260.7499       23.72800  215.6229       
33.51580  306.0964       33.59727  142.5939 11.66040 171.0833 9.696939 
-28.48949      15.16561 
1 1 1 4   15 20 o 51.63776 15.72403 30.30909       17.99479  6.890890       
25.72524  52.74595       25.18046  41.54699 17.59828 66.62415 18.11063 
-25.07715      25.25261 
1 1 1 4   15 21 f 96.73721 14.52248 107.4397       27.68619  107.4397       
27.68619  0.000000       0.000000  96.73721 14.52248 ?        ?        
0.000000       14.52248 
1 1 1 4   16 0  o 316.6821 5.052084 1020.595       32.53460  0.000000       
0.000000  1020.595       32.53460  ?        ?        316.6821 5.052084 
0.000000       5.052084 
1 1 1 4   16 1  o 181.8723 3.561318 336.4583       13.17130  333.5311       
21.87369  338.1235       16.49751  181.0136 5.942367 182.3009 4.450187 
-1.287308      7.424007 
1 1 1 4   16 2  o 312.2658 4.286474 991.9693       27.21924  963.9647       
47.61458  1005.563       33.17428  307.6526 7.610759 314.3597 5.189472 
-6.707123      9.211637 
1 1 1 4   16 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   16 4  o 444.8774 5.286859 2013.567       47.82880  2038.299       
59.87210  1969.948       79.51183  447.5267 6.578912 439.7885 8.890712 
7.738281       11.06015 
1 1 1 4   16 5  o 443.0597 5.314499 1997.056       47.88240  1960.745       
58.58849  2070.090       83.09165  438.9485 6.563679 450.8467 9.063105 
-11.89822      11.19025 
1 1 1 4   16 6  o 715.1367 7.430415 5205.800       108.0572  5285.008       
134.7773  5063.261       180.7990  720.3411 9.200831 704.5332 12.61953 
15.80786       15.61755 
1 1 1 4   16 7  o 514.2124 7.441756 2691.964       77.81609  0.000000       
0.000000  2691.964       77.81609  ?        ?        514.2124 7.441756 
0.000000       7.441756 
1 1 1 4   16 8  o 365.8882 5.337769 1362.313       39.71546  1295.507       
65.05810  1401.998       50.14288  356.5356 8.973193 371.0952 6.644656 
-14.55960      11.16556 
1 1 1 4   16 9  o 205.3716 5.076831 429.2631       21.20237  442.5449       
29.62700  415.3199       30.35563  208.4340 6.989848 201.8989 7.393564 
6.535126       10.17461 
1 1 1 4   16 10 o 71.91901 11.45034 54.22871       16.18463  49.34028       
22.27997  59.69026       23.54983  67.86530 16.33998 74.74825 15.97737 
-6.882950      22.85325 
1 1 1 4   16 11 o 68.96434 11.49757 50.06520       15.55664  58.07078       
22.01116  42.07524       21.98967  73.69624 15.19239 62.66941 16.87793 
11.02683       22.70844 
1 1 1 4   16 12 o 347.5381 5.563789 1231.285       39.32100  1152.094       
66.40052  1274.052       48.79708  335.2768 9.739048 353.2970 6.792075 
-18.02014      11.87356 
1 1 1 4   16 13 o 122.1817 6.917798 153.0002       17.11744  147.7043       
23.79747  158.6776       24.63994  119.5445 9.877738 123.9381 9.857972 
-4.393562      13.95526 
1 1 1 4   16 14 o 136.4131 7.623664 191.0728       21.06348  205.7097       
35.77806  183.3085       26.05794  140.3889 12.66885 133.2014 9.686431 
7.187500       15.94762 
1 1 1 4   16 15 o 148.6905 6.447463 226.0686       19.49501  226.5385       
26.92532  225.5509       28.26357  148.1915 8.977175 147.7516 9.456449 
0.4399261      13.03895 
1 1 1 4   16 16 o 79.89136 14.82859 69.02866       23.20384  83.36421       
26.44410  21.04943       48.37804  87.81709 15.36787 60.45747 24.74124 
27.35962       29.12560 
1 1 1 4   16 17 f 109.5682 9.602036 124.8863       21.17852  124.4210       
29.70860  125.3671       30.19934  108.0782 13.83493 108.4280 14.02504 
-0.3497238     19.70043 
1 1 1 4   16 18 o 114.8196 9.550846 137.5141       22.09789  119.9995       
31.82319  153.8236       30.70887  105.1216 15.33847 120.3479 12.74177 
-15.22629      19.94045 
1 1 1 4   16 19 o 48.44523 16.30077 24.77697       18.99422  34.01938       
27.18864  15.96589       26.54664  56.23445 19.48808 46.69663 18.60458 
9.537819       26.94283 
1 1 1 4   16 20 o 185.9952 9.123293 364.0529       34.50680  364.0529       
34.50680  0.000000       0.000000  185.9952 9.123293 ?        ?        
0.000000       9.123293 
1 1 1 4   17 0  o 459.4901 6.289058 2149.452       58.76425  0.000000       
0.000000  2149.452       58.76425  ?        ?        459.4901 6.289058 
0.000000       6.289058 
1 1 1 4   17 1  o 62.39577 6.770998 40.10479       8.453432  40.10479       
8.453432  0.000000       0.000000  62.39577 6.770998 ?        ?        
0.000000       6.770998 
1 1 1 4   17 2  o 485.5419 4.678721 2398.458       46.19609  2448.888       
66.32395  2350.939       64.38161  490.4716 6.649746 480.5680 6.588030 
9.903595       9.360623 
1 1 1 4   17 3  o 509.7972 4.873678 2643.995       50.52493  2629.651       
71.10548  2658.623       71.80575  508.2707 6.879496 511.0604 6.909324 
-2.789703      9.750191 
1 1 1 4   17 4  o 312.1274 3.898100 990.8882       24.74209  993.6010       
28.99985  983.6306       47.43344  312.5359 4.562938 310.8474 7.503883 
1.688507       8.782292 
1 1 1 4   17 5  o 396.0607 4.363866 1595.558       35.14671  1581.860       
40.75460  1635.310       69.42835  394.3300 5.082360 400.7469 8.519522 
-6.416992      9.920314 
1 1 1 4   17 6  o 325.4694 4.883874 1077.617       32.32407  1082.711       
41.01841  1069.270       52.50599  326.1873 6.183869 324.0686 7.967471 
2.118774       10.08568 
1 1 1 4   17 7  o 161.2567 5.189925 264.5783       17.01885  253.3118       
23.52815  276.9421       24.64743  157.7322 7.335270 164.9248 7.349101 
-7.192627      10.38342 
1 1 1 4   17 8  o 145.0907 5.955964 214.2834       17.57289  209.1980       
25.08004  219.1878       24.62970  143.0084 8.665019 146.4299 8.305573 
-3.421524      12.00271 
1 1 1 4   17 9  o 178.2765 5.915814 323.6236       21.44668  312.5796       
27.39055  341.1231       34.47867  175.1205 7.691525 182.6017 9.316250 
-7.481262      12.08106 
1 1 1 4   17 10 o 207.3263 5.044984 437.6672       21.26991  445.9814       
29.91945  429.1720       30.24356  209.1468 7.034785 205.1501 7.249529 
3.996750       10.10168 
1 1 1 4   17 11 o 150.9310 6.002317 232.2243       18.42251  240.6632       
26.08895  223.8312       26.01791  153.2310 8.404650 147.7152 8.699970 
5.515839       12.09660 
1 1 1 4   17 12 o 289.1897 5.557112 852.6824       32.68010  816.7734       
55.94692  871.2803       40.26317  282.2270 9.748238 292.1300 6.777670 
-9.902954      11.87287 
1 1 1 4   17 13 o 114.5840 7.532260 134.8670       17.45316  103.5024       
23.74355  171.7349       25.74243  99.45731 11.98081 128.9289 9.894028 
-29.47156      15.53807 
1 1 1 4   17 14 o 204.4148 6.144423 426.8268       25.54140  439.5876       
42.54977  419.6388       31.93488  206.6326 10.12621 202.4092 7.758605 
4.223404       12.75680 
1 1 1 4   17 15 o 220.7282 5.454132 497.4778       24.48133  482.0016       
33.81832  514.5175       35.48546  216.8210 7.670070 223.9855 7.790750 
-7.164505      10.93278 
1 1 1 4   17 16 o 95.47579 12.40604 96.41776       23.51755  102.4079       
27.27479  79.05759       46.43229  97.91202 14.10557 83.18238 25.24217 
14.72964       28.91599 
1 1 1 4   17 17 o 181.1393 6.722656 336.3089       24.76311  343.0949       
35.72055  330.0301       34.35972  181.9299 9.690152 178.4892 9.500637 
3.440735       13.57060 
1 1 1 4   17 18 o 47.05443 16.48976 21.87450       19.49207  29.43331       
28.35352  15.10086       26.84055  54.73388 19.81061 46.97482 18.70985 
7.759068       27.24919 
1 1 1 4   17 19 o 84.04504 11.77320 76.14420       19.56921  95.18492       
29.39423  60.98680       26.22604  91.97745 16.31288 72.60862 17.88047 
19.36883       24.20374 
1 1 1 4   17 20 o 110.5560 12.79506 134.7455       28.23417  134.7455       
28.23417  0.000000       0.000000  110.5560 12.79506 ?        ?        
0.000000       12.79506 
1 1 1 4   18 0  o 603.1949 7.701503 3706.004       94.46797  0.000000       
0.000000  3706.004       94.46797  ?        ?        603.1949 7.701503 
0.000000       7.701503 
1 1 1 4   18 1  o 360.7035 3.878763 1323.444       28.45083  1329.256       
40.37000  1317.708       40.10245  361.4180 5.492846 359.8453 5.480292 
1.572754       7.759185 
1 1 1 4   18 2  o 400.2786 4.150231 1629.802       33.78205  1629.809       
47.76518  1629.794       47.78489  400.1926 5.869363 400.1906 5.871813 
0.1953125E-02  8.302265 
1 1 1 4   18 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   18 4  o 370.1260 4.161247 1393.407       31.32021  1387.599       
36.50867  1409.595       60.95280  369.3296 4.861055 372.0850 8.055641 
-2.755432      9.408678 
1 1 1 4   18 5  o 337.1095 4.740707 1156.026       32.49866  1136.617       
40.25232  1192.368       55.07870  334.2233 5.922468 342.2233 7.914485 
-8.000061      9.885075 
1 1 1 4   18 6  o 491.3594 5.759937 2456.701       57.55307  2519.483       
72.78210  2351.931       94.02124  497.4917 7.194280 480.4389 9.623573 
17.05280       12.01544 
1 1 1 4   18 7  o 373.1631 4.620490 1416.694       35.06212  1429.822       
49.27534  1403.231       49.90125  374.7817 6.465465 371.2707 6.609510 
3.511078       9.245965 
1 1 1 4   18 8  o 469.2534 5.083026 2240.924       48.50441  2161.207       
66.47349  2331.699       70.93484  460.6350 7.096433 478.4360 7.290953 
-17.80093      10.17435 
1 1 1 4   18 9  o 191.9716 5.715326 375.2731       22.31153  399.8153       
29.09185  340.2197       34.76800  198.0607 7.223065 182.3120 9.410154 
15.74878       11.86270 
1 1 1 4   18 10 o 163.3974 5.771362 272.0150       19.17674  228.2863       
26.23601  322.1776       28.09985  149.2484 8.681950 177.6796 7.777052 
-28.43126      11.65585 
1 1 1 4   18 11 o 144.1962 6.224300 212.0495       18.25138  215.4148       
25.28205  208.3867       26.37534  144.8840 8.619968 142.4080 9.156316 
2.476059       12.57545 
1 1 1 4   18 12 o 379.6814 5.731154 1470.342       44.24996  1422.003       
75.82488  1495.307       54.49134  372.1956 10.01818 382.5966 7.003820 
-10.40094      12.22365 
1 1 1 4   18 13 o 293.9387 4.819622 880.7595       28.80853  839.8322       
39.73502  926.1127       41.82837  286.6582 6.816441 301.0194 6.833214 
-14.36121      9.651771 
1 1 1 4   18 14 o 180.1817 6.456113 331.8719       23.65556  356.0271       
39.97619  318.8562       29.34466  185.4826 10.64310 176.3273 8.183859 
9.155334       13.42576 
1 1 1 4   18 15 o 235.1888 5.360113 564.8214       25.63551  559.4544       
35.98532  570.3517       36.52896  233.5722 7.576225 235.8251 7.617208 
-2.252991      10.74342 
1 1 1 4   18 16 o 194.6312 7.163552 388.4385       28.35256  388.2362       
32.87204  389.0262       56.02880  194.2950 8.319814 191.8175 14.47041 
2.477493       16.69167 
1 1 1 4   18 17 o 206.5517 6.214463 436.9355       26.10261  436.0318       
37.76397  437.7623       36.12019  205.5153 9.036122 206.0628 8.619836 
-0.5475159     12.48812 
1 1 1 4   18 18 o 140.4356 8.002784 204.2387       22.75976  222.3246       
33.72142  189.1068       30.84491  145.1653 11.51790 133.8478 11.44234 
11.31749       16.23543 
1 1 1 4   18 19 o 89.95995 11.29304 86.93301       20.20381  58.76447       
30.26047  109.5895       27.13876  70.22120 20.14328 99.98137 13.70908 
-29.76017      24.36576 
1 1 1 4   18 20 f 110.4625 8.531468 129.0752       19.01565  138.3168       
28.60942  121.7614       25.45117  111.7546 12.82105 105.2452 12.11293 
6.509430       17.63809 
1 1 1 4   19 0  o 185.1838 3.759248 348.8183       14.15648  316.5567       
26.32671  361.9409       16.79056  176.3143 7.342734 188.6217 4.377459 
-12.30745      8.548561 
1 1 1 4   19 1  o 90.99480 5.335062 84.54048       9.828897  84.54048       
9.828897  0.000000       0.000000  90.99480 5.335062 ?        ?        
0.000000       5.335062 
1 1 1 4   19 2  o 301.7288 5.185698 926.2582       31.81818  0.000000       
0.000000  926.2582       31.81818  ?        ?        301.7288 5.185698 
0.000000       5.185698 
1 1 1 4   19 3  o 500.5294 4.819030 2548.598       49.05019  2543.749       
69.22626  2553.486       69.50950  499.9266 6.809468 500.8813 6.824297 
-0.9547424     9.640533 
1 1 1 4   19 4  o 178.8241 3.891830 325.2469       14.15244  326.5496       
16.99145  322.2957       25.57364  179.1694 4.663534 177.9454 7.067313 
1.223969       8.467318 
1 1 1 4   19 5  o 208.5636 4.024483 442.4394       17.06868  463.3310       
20.75085  398.7321       30.01416  213.4152 4.781444 197.9080 7.457812 
15.50722       8.858959 
1 1 1 4   19 6  o 545.8439 6.168574 3032.321       68.47069  3098.360       
86.34382  2920.431       112.3906  551.6082 7.697490 535.2161 10.32641 
16.39215       12.87967 
1 1 1 4   19 7  o 163.0065 8.898046 271.6216       29.38365  0.000000       
0.000000  271.6216       29.38365  ?        ?        163.0065 8.898046 
0.000000       8.898046 
1 1 1 4   19 8  o 172.7545 5.377127 303.7842       18.88996  322.0435       
26.80378  285.7663       26.62598  177.7811 7.414111 167.4488 7.819375 
10.33228       10.77551 
1 1 1 4   19 9  o 179.3256 5.859282 327.5417       21.36673  310.2480       
27.28102  354.9826       34.36498  174.4170 7.691666 186.4593 9.063180 
-12.04227      11.88709 
1 1 1 4   19 10 o 307.4428 4.721164 962.4908       29.51649  941.8979       
41.15472  984.3039       42.35647  303.9124 6.659165 310.6722 6.704494 
-6.759766      9.449588 
1 1 1 4   19 11 o 96.64346 8.305432 96.20835       16.16390  87.70171       
22.29291  105.6378       23.47096  91.50810 12.29069 100.7022 11.67826 
-9.194115      16.95414 
1 1 1 4   19 12 o 255.7778 5.754646 667.4286       29.93181  635.2986       
51.23175  684.0795       36.88098  248.6722 10.13119 258.7392 7.009529 
-10.06693      12.31968 
1 1 1 4   19 13 o 234.4840 5.045455 560.7191       24.05830  543.5687       
33.14949  579.8056       34.97066  230.5388 7.071009 238.0689 7.223533 
-7.530106      10.10834 
1 1 1 4   19 14 o 172.1010 6.797774 303.0462       23.79038  320.1962       
38.94968  292.8404       30.04646  175.7060 10.95555 168.6021 8.793996 
7.103882       14.04843 
1 1 1 4   19 15 o 126.3948 8.165302 164.7874       20.87491  148.2110       
27.11928  188.8901       32.70124  119.0374 11.34034 134.2629 12.10750 
-15.22549      16.58900 
1 1 1 4   19 16 o 164.1038 8.077472 276.8882       26.95539  276.5833       
31.24102  277.7766       53.32304  163.4229 9.440928 160.8202 16.54090 
2.602631       19.04553 
1 1 1 4   19 17 o 106.7587 9.652332 118.9335       20.72834  112.9926       
29.45543  124.7618       29.17518  102.3980 14.55534 108.0605 13.57656 
-5.662544      19.90429 
1 1 1 4   19 18 o 61.16291 16.08976 42.01831       20.28097  -20.66912      
30.28616  92.98238       27.30776  36.76362 17.03598 91.96005 15.12903 
-55.19643      22.78403 
1 1 1 4   19 19 o 51.11513 16.10368 29.26197       18.68901  11.66635       
28.05308  43.30319       25.05997  45.03795 18.67677 60.86414 18.56081 
-15.82619      26.33107 
1 1 1 4   19 20 o 103.5246 9.002761 114.2495       18.76398  120.9030       
27.29736  108.2895       25.83550  103.8714 13.22311 98.20387 13.27753 
5.667572       18.73882 
1 1 1 4   20 0  o 715.4399 7.273166 5211.499       105.8152  5219.572       
185.0141  5207.574       128.9954  714.9861 12.72494 714.9316 8.872752 
0.5450439E-01  15.51289 
1 1 1 4   20 1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   20 2  o 562.0438 5.205975 3213.884       59.50092  3122.521       
82.18985  3314.498       86.25097  553.8324 7.297740 570.5906 7.433407 
-16.75824      10.41693 
1 1 1 4   20 3  o 197.2934 3.578120 395.8837       14.35552  379.6481       
19.86980  413.6121       20.76319  193.1786 5.058049 201.6345 5.063816 
-8.455841      7.157240 
1 1 1 4   20 4  o 282.3493 3.869573 810.8451       22.21781  800.2720       
26.04121  839.1314       42.59399  280.4843 4.565634 287.1114 7.295356 
-6.627075      8.606232 
1 1 1 4   20 5  o 191.4558 4.143102 372.8513       16.13042  378.0678       
19.49404  361.5244       28.72566  192.7732 4.972831 188.4380 7.496357 
4.335220       8.995800 
1 1 1 4   20 6  o 396.6071 5.282424 1600.588       42.60349  1585.460       
53.35907  1627.193       70.75961  394.6388 6.649012 399.6234 8.707292 
-4.984650      10.95565 
1 1 1 4   20 7  o 407.4236 8.910378 1692.320       73.82336  0.000000       
0.000000  1692.320       73.82336  ?        ?        407.4236 8.910378 
0.000000       8.910378 
1 1 1 4   20 8  o 170.5165 5.440180 296.0123       18.86388  295.2006       
26.12341  296.8968       27.26853  170.1819 7.548578 170.6526 7.857737 
-0.4706879     10.89610 
1 1 1 4   20 9  o 288.9348 5.182360 850.1251       30.44942  825.1539       
37.78137  896.4058       51.43474  284.5325 6.529718 296.3093 8.536106 
-11.77686      10.74720 
1 1 1 4   20 10 o 253.7316 4.780196 655.6880       24.66446  626.4713       
33.97897  688.2263       35.85851  247.8092 6.742817 259.7303 6.789194 
-11.92102      9.568633 
1 1 1 4   20 11 o 182.4516 5.240108 339.3109       19.44193  328.6540       
27.12859  350.5638       27.87675  179.3374 7.438835 185.2234 7.401077 
-5.886017      10.49344 
1 1 1 4   20 12 f 85.09814 11.12403 75.82652       18.78941  60.48697       
33.63108  82.78725       22.65488  74.32294 21.20827 88.55099 12.96511 
-14.22805      24.85729 
1 1 1 4   20 13 o 118.7503 7.392155 144.9010       17.76225  129.7480       
24.58687  161.4425       25.68857  111.6179 10.97409 124.8007 10.21154 
-13.18278      14.99021 
1 1 1 4   20 14 o 264.9244 5.146953 716.3362       27.72832  712.1734       
39.35808  720.4385       39.07104  263.6365 7.341367 265.1884 7.245178 
-1.551941      10.31447 
1 1 1 4   20 15 o 196.5167 6.356749 395.2628       25.40306  420.7984       
32.81239  357.0595       40.13425  202.3843 7.972778 185.3763 10.69194 
17.00795       13.33727 
1 1 1 4   20 16 o 213.2582 7.153607 466.6646       31.02290  445.6561       
35.38791  536.4133       64.48004  208.0553 8.364204 225.2803 14.14689 
-17.22499      16.43455 
1 1 1 4   20 17 o 130.7805 8.189369 177.0281       21.66955  192.8518       
31.51606  162.8397       29.84309  135.3706 11.55951 124.1644 11.96759 
11.20621       16.63867 
1 1 1 4   20 18 o 32.82074 14.48475 -3.641219      18.91841  -30.68602      
27.72645  19.91849       25.87839  32.36125 15.39592 48.36571 18.63216 
-16.00446      24.17006 
1 1 1 4   20 19 o 94.15141 11.93467 96.41270       22.33716  93.45974       
43.83928  97.44815       25.95966  84.80901 24.21867 93.51727 14.08789 
-8.708252      28.01808 
1 1 1 4   20 20 o 123.2312 7.949255 160.3706       19.81417  84.41441       
27.74464  239.4358       28.30676  83.80002 16.86497 149.6429 9.348972 
-65.84288      19.28291 
1 1 1 4   21 0  o 349.5722 4.459973 1243.098       31.70447  1216.833       
56.32827  1255.278       38.35723  345.6730 8.013266 351.2423 5.370183 
-5.569275      9.646310 
1 1 1 4   21 1  o 380.3417 4.010552 1471.406       31.01913  1437.772       
43.19867  1507.207       44.56875  375.9001 5.651276 384.8676 5.694659 
-8.967529      8.022846 
1 1 1 4   21 2  f 117.1251 5.605446 139.5815       13.35093  0.000000       
0.000000  139.5815       13.35093  ?        ?        117.1251 5.605446 
0.000000       5.605446 
1 1 1 4   21 3  o 475.1060 4.683252 2296.228       45.24697  2274.783       
63.52193  2318.315       64.46629  472.7677 6.607306 477.2675 6.642313 
-4.499786      9.368928 
1 1 1 4   21 4  o 235.6645 4.387336 564.9429       21.02551  576.8133       
27.05417  546.8389       33.41100  238.0943 5.587709 231.7741 7.088809 
6.320206       9.026278 
1 1 1 4   21 5  o 100.6906 5.831230 103.5226       11.88878  121.1422       
14.93478  73.04184       19.64324  108.8779 6.779023 83.78162 11.86095 
25.09632       13.66153 
1 1 1 4   21 6  o 174.9274 8.171825 311.7686       29.06888  0.000000       
0.000000  311.7686       29.06888  ?        ?        174.9274 8.171825 
0.000000       8.171825 
1 1 1 4   21 7  o 159.6691 8.836283 260.7732       28.57911  0.000000       
0.000000  260.7732       28.57911  ?        ?        159.6691 8.836283 
0.000000       8.836283 
1 1 1 4   21 8  o 249.5489 5.124700 634.0004       26.00611  675.6929       
34.06611  575.7634       40.26185  257.5226 6.505127 237.5612 8.334255 
19.96143       10.57244 
1 1 1 4   21 9  o 101.4948 7.730643 105.7386       15.83552  110.4559       
22.14888  100.8059       22.64913  103.3132 10.69752 98.50337 11.52491 
4.809822       15.72451 
1 1 1 4   21 10 o 91.97910 8.510794 87.24564       15.73837  91.32999       
22.23189  83.14247       22.28302  93.50523 11.96652 89.00041 12.66973 
4.504814       17.42756 
1 1 1 4   21 11 f 87.59906 8.993440 79.44659       15.79320  111.2221       
22.43235  48.21700       22.23882  103.4525 10.82330 66.69288 16.49045 
36.75964       19.72508 
1 1 1 4   21 12 o 174.7689 6.560601 312.0999       23.31628  322.1513       
41.90004  307.5912       28.06266  176.2305 11.75934 173.3002 7.963032 
2.930344       14.20183 
1 1 1 4   21 13 o 82.56165 10.06091 71.22580       16.54215  64.48439       
23.71245  77.61700       23.08830  77.10796 15.65712 85.30923 13.77857 
-8.201271      20.85652 
1 1 1 4   21 14 o 216.7269 5.437853 479.7337       23.96579  458.7577       
33.32781  502.1948       34.48742  211.4469 7.750933 221.2530 7.665139 
-9.806076      10.90098 
1 1 1 4   21 15 o 122.0348 8.536180 154.0354       21.05013  150.0591       
27.32662  159.8383       33.01139  119.6612 11.36650 122.8293 13.43540 
-3.168060      17.59851 
1 1 1 4   21 16 o 92.67515 13.71548 92.13873       25.06733  105.7399       
27.74786  31.76991       58.45846  99.24386 14.14976 66.81014 27.25242 
32.43372       30.70684 
1 1 1 4   21 17 o 141.8066 7.651628 207.7520       21.98322  206.3577       
31.14066  209.1371       31.03752  140.1515 11.01520 141.1449 10.89800 
-0.9934082     15.49519 
1 1 1 4   21 18 o 44.72597 16.27024 19.18348       19.15984  25.12969       
28.32795  14.16974       26.01215  51.76623 19.60141 45.49788 18.31595 
6.268349       26.82702 
1 1 1 4   21 19 o 99.64954 11.56846 107.9305       23.00625  117.5876       
44.09943  104.3195       26.96672  95.76078 22.94643 96.45507 14.17085 
-0.6942902     26.96946 
1 1 1 4   21 20 o 117.8970 8.114911 147.4352       19.33682  149.5003       
27.79719  145.4987       26.91685  115.9973 11.95558 114.6146 11.71329 
1.382645       16.73730 
1 1 1 4   22 0  o 681.0156 6.995010 4721.005       96.87169  4744.718       
169.9893  4709.600       117.8867  681.9136 12.25860 680.0031 8.525162 
1.910522       14.93156 
1 1 1 4   22 1  o 75.01877 4.406765 57.44505       6.693142  50.58688       
9.305325  64.79671       9.634310  70.19147 6.596611 79.57157 5.998137 
-9.380104      8.915880 
1 1 1 4   22 2  o 396.2531 4.171690 1597.127       33.61524  1545.753       
46.50734  1653.327       48.64278  389.7522 5.867884 403.0825 5.934348 
-13.33035      8.345571 
1 1 1 4   22 3  o 108.7771 4.490513 120.3654       9.933101  122.0221       
13.80909  118.5892       14.29875  109.3214 6.237525 107.7437 6.557313 
1.577736       9.050141 
1 1 1 4   22 4  o 292.2014 4.539947 868.5856       26.97643  877.4771       
34.28769  854.1398       43.70424  293.6473 5.741970 289.6351 7.420290 
4.012177       9.382480 
1 1 1 4   22 5  o 216.7453 4.123259 477.8985       18.17363  480.7041       
21.84267  471.5871       32.76064  217.3571 4.941748 215.1870 7.486607 
2.170135       8.970516 
1 1 1 4   22 6  o 462.9182 5.658700 2181.278       53.26875  2208.199       
67.23732  2135.897       87.29761  465.6180 7.101158 457.6348 9.380627 
7.983215       11.76531 
1 1 1 4   22 7  o 325.3875 4.900893 1077.630       32.42855  1039.459       
39.54167  1156.041       56.67298  319.4837 6.086321 336.6972 8.277231 
-17.21347      10.27404 
1 1 1 4   22 8  o 236.5402 4.529817 569.5373       21.78898  536.7260       
25.46938  659.0994       42.07931  229.5671 5.455786 254.1398 8.142250 
-24.57274      9.801114 
1 1 1 4   22 9  o 78.82558 9.360783 64.44532       14.71152  45.97116       
20.53458  83.92661       21.08688  65.39435 15.65047 89.65282 11.85732 
-24.25847      19.63499 
1 1 1 4   22 10 o 211.8390 4.951440 457.2656       21.32990  451.2849       
29.62126  463.7065       30.73991  210.2326 6.928705 213.0846 7.094129 
-2.852051      9.916331 
1 1 1 4   22 11 o 62.24339 12.44578 41.40329       15.20262  39.35406       
21.13552  43.60013       21.88349  60.38609 16.66632 63.41312 16.72856 
-3.027027      23.61378 
1 1 1 4   22 12 o 119.3555 8.518209 146.8537       20.53907  123.0615       
37.75735  156.8529       24.47747  106.6059 18.06172 123.0925 9.861555 
-16.48661      20.57853 
1 1 1 4   22 13 o 62.49089 13.06201 42.09369       16.06438  43.83191       
22.90817  40.41187       22.53340  63.29461 17.30275 60.93631 17.35009 
2.358303       24.50328 
1 1 1 4   22 14 o 118.0633 7.738796 143.6926       18.47694  136.9536       
26.45612  150.1096       25.81631  114.2910 11.54124 119.9514 10.69591 
-5.660355      15.73540 
1 1 1 4   22 15 o 179.8461 6.669359 331.5048       24.39140  351.4089       
31.96286  303.7519       37.74236  184.7061 8.509675 170.6872 10.93112 
14.01888       13.85294 
1 1 1 4   22 16 o 330.7928 6.528071 1122.035       43.91292  1181.122       
52.03519  975.8305       81.85258  338.9093 7.550266 304.5403 13.21710 
34.36896       15.22164 
1 1 1 4   22 17 o 82.23463 12.67070 72.90079       20.50833  98.82038       
29.39453  48.31712       28.62700  94.68183 15.82538 65.23260 19.82559 
29.44923       25.36724 
1 1 1 4   22 18 o 74.30955 13.52029 61.03505       19.67799  31.07371       
28.91577  86.87997       26.85602  54.67085 19.97258 87.97217 15.58259 
-33.30132      25.33221 
1 1 1 4   22 19 o 105.8143 10.50711 120.7226       22.30992  155.9220       
41.06392  105.9816       26.57397  114.4135 18.26364 97.10622 13.84972 
17.30727       22.92107 
1 1 1 4   22 20 o 64.15813 14.01172 48.41905       17.76877  44.80067       
26.55237  51.35363       23.91217  58.90467 19.25545 63.71359 17.78001 
-4.808914      26.20880 
1 1 1 4   23 0  o 169.7622 7.659877 293.4278       26.44322  293.4278       
26.44322  0.000000       0.000000  169.7622 7.659877 ?        ?        
0.000000       7.659877 
1 1 1 4   23 1  o 222.5896 4.812388 504.0428       21.78296  0.000000       
0.000000  504.0428       21.78296  ?        ?        222.5896 4.812388 
0.000000       4.812388 
1 1 1 4   23 2  o 62.97186 5.991317 40.71914       7.579731  49.56614       
10.69157  31.77956       10.74737  69.34439 7.712574 54.99585 9.977384 
14.34854       12.61079 
1 1 1 4   23 3  o 130.2378 4.141801 172.5377       10.96927  171.9516       
15.14346  173.1847       15.91074  129.9906 5.728774 130.4507 5.997809 
-0.4600525     8.294128 
1 1 1 4   23 4  o 591.0601 6.383602 3556.180       76.72712  3622.741       
96.33094  3440.679       126.8961  596.3782 7.943147 580.7717 10.74463 
15.60657       13.36191 
1 1 1 4   23 5  o 185.2512 4.327901 349.1476       16.30384  360.3311       
19.94537  326.6275       28.30351  188.1688 5.212464 179.0555 7.773225 
9.113297       9.359103 
1 1 1 4   23 6  o 241.0901 5.148250 591.6025       25.24006  584.5455       
33.70626  600.6111       38.08275  239.5478 6.919375 242.7623 7.714285 
-3.214432      10.36282 
1 1 1 4   23 7  o 305.3318 4.799407 948.9725       29.79964  952.2691       
37.09587  942.9746       50.03675  305.7680 5.965983 304.0507 8.092668 
1.717316       10.05407 
1 1 1 4   23 8  o 185.2618 5.482033 349.6273       20.65280  356.8844       
26.59400  338.5999       32.78230  187.0652 6.990997 182.0432 8.855505 
5.021973       11.28246 
1 1 1 4   23 9  o 201.4678 4.974008 413.5017       20.37809  393.4025       
27.82506  436.7531       29.92761  196.3267 6.969560 206.8445 7.115028 
-10.51779      9.959839 
1 1 1 4   23 10 o 86.30761 9.033042 77.14635       15.61897  115.1141       
22.40641  41.25912       21.78387  105.3188 10.60634 61.84646 16.85869 
43.47229       19.91758 
1 1 1 4   23 11 o 97.66929 8.175660 98.39993       16.08863  96.70316       
22.25711  100.2567       23.28306  96.11956 11.62302 97.81440 11.95414 
-1.694839      16.67322 
1 1 1 4   23 12 o 161.0711 6.968910 265.4630       22.82621  322.0496       
41.76999  241.3691       27.25596  176.0242 11.73647 153.0575 8.793944 
22.96669       14.66554 
1 1 1 4   23 13 f 174.7890 5.924200 312.2677       21.05693  310.3430       
29.59866  314.2401       29.96268  173.7962 8.374916 174.8729 8.425714 
-1.076736      11.87989 
1 1 1 4   23 14 o 245.6661 5.346772 616.6448       26.71089  623.3909       
37.87815  609.9717       37.67250  246.4069 7.559349 243.7273 7.600965 
2.679581       10.72000 
1 1 1 4   23 15 o 104.7128 9.871034 114.4849       20.77106  126.8588       
27.72587  98.65684       31.35769  109.3774 12.70189 94.77172 16.89026 
14.60572       21.13336 
1 1 1 4   23 16 o 97.81787 13.04873 102.3576       25.30873  75.07596       
27.59630  246.7482       63.48709  82.09911 17.08551 147.3989 21.84169 
-65.29975      27.73038 
1 1 1 4   23 17 f 154.6840 10.48500 251.4300       32.78633  251.4300       
32.78633  0.000000       0.000000  154.6840 10.48500 ?        ?        
0.000000       10.48500 
1 1 1 4   23 18 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   23 19 o 38.20937 15.76427 8.975145       19.84018  4.415994       
33.19204  11.50965       24.74793  43.82597 19.27005 42.14428 17.51481 
1.681690       26.04042 
1 1 1 4   24 0  o 322.3677 7.937804 1058.252       52.03593  1058.252       
52.03593  0.000000       0.000000  322.3677 7.937804 ?        ?        
0.000000       7.937804 
1 1 1 4   24 1  o 385.5949 4.086354 1512.389       32.04193  1480.043       
44.54929  1547.056       46.11979  381.3723 5.744341 389.9065 5.816683 
-8.534241      8.175038 
1 1 1 4   24 2  o 578.3261 5.343427 3403.202       62.84116  3325.059       
87.09480  3488.061       90.76011  571.4440 7.494922 585.2682 7.625856 
-13.82422      10.69241 
1 1 1 4   24 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   24 4  o 349.7497 4.841447 1244.684       34.43372  1254.258       
43.71196  1229.029       55.89835  351.0139 6.123850 347.3273 7.914230 
3.686584       10.00683 
1 1 1 4   24 5  o 234.4502 4.132878 559.2382       19.70401  564.4761       
23.71573  547.5636       35.40643  235.5132 4.951877 231.8218 7.510633 
3.691467       8.996148 
1 1 1 4   24 6  o 79.26789 10.98824 65.43742       17.23600  12.67800       
27.29013  100.4492       22.23117  47.62518 18.89832 98.47901 11.30611 
-50.85384      22.02214 
1 1 1 4   24 7  o 452.8305 5.633894 2088.641       51.87949  2087.877       
64.76239  2090.010       86.67313  452.5227 7.037704 452.2579 9.424252 
0.2648010      11.76205 
1 1 1 4   24 8  o 53.50677 13.43320 30.62192       14.59480  28.36621       
19.38979  33.57048       22.16849  52.47959 16.38173 56.80820 17.48082 
-4.328606      23.95705 
1 1 1 4   24 9  o 153.0899 5.208255 238.8595       16.21400  242.4944       
19.25077  229.9867       30.07692  154.1793 6.140035 149.4289 9.954974 
4.750397       11.69622 
1 1 1 4   24 10 o 152.6877 5.764693 237.8734       17.89912  199.0703       
24.21361  284.6228       26.57757  139.1236 8.600877 166.7728 7.836799 
-27.64920      11.63574 
1 1 1 4   24 11 o 87.97326 8.996583 80.27511       15.86814  107.3620       
22.42033  53.08844       22.46159  101.4275 11.04887 69.81914 16.14278 
31.60835       19.56187 
1 1 1 4   24 12 o 172.7534 6.853307 305.4349       24.07567  335.7031       
43.97934  292.4826       28.76937  179.4862 12.12043 168.7779 8.382304 
10.70834       14.73662 
1 1 1 4   24 13 o 142.7932 7.422450 209.6970       21.47862  214.0025       
35.07915  207.1148       27.16635  142.9038 12.18780 141.3983 9.503106 
1.505493       15.45482 
1 1 1 4   24 14 o 98.43709 13.71152 103.6148       26.70177  103.6148       
26.70177  0.000000       0.000000  98.43709 13.71152 ?        ?        
0.000000       13.71152 
1 1 1 4   24 15 o 223.4492 8.103738 514.2832       36.82269  514.2832       
36.82269  0.000000       0.000000  223.4492 8.103738 ?        ?        
0.000000       8.103738 
1 1 1 4   24 16 o 106.1909 12.92292 120.5378       27.33073  121.5772       
30.40646  116.1659       62.36132  106.0134 14.48327 96.22911 29.26488 
9.784264       32.65269 
1 1 1 4   24 17 o 140.0667 7.941271 203.7440       22.52609  221.5652       
32.40779  187.0855       31.33280  144.6712 11.10044 132.5589 11.74517 
12.11234       16.16072 
1 1 1 4   24 18 o 76.24660 12.31375 63.95678       18.44184  33.00906       
27.32619  89.84184       24.99133  54.59774 19.48597 89.64057 14.18175 
-35.04283      24.10031 
1 1 1 4   24 19 o 44.52030 15.42129 22.05792       17.02418  32.19573       
25.78086  14.21927       22.66972  52.33333 18.89834 42.04125 17.03739 
10.29208       25.44445 
1 1 1 4   25 0  o 172.1247 4.020949 301.3631       14.07418  263.4041       
27.35060  315.0347       16.41419  160.5875 8.404578 175.9746 4.586888 
-15.38704      9.574783 
1 1 1 4   25 1  o 309.2786 3.718022 972.9330       23.38370  958.6667       
32.69099  987.8798       33.46157  306.9466 5.237377 311.5863 5.281005 
-4.639709      7.437684 
1 1 1 4   25 2  o 227.0157 3.984281 524.2419       18.39320  492.5334       
22.66036  585.4771       31.49048  220.0123 5.064872 239.8191 6.457199 
-19.80684      8.206604 
1 1 1 4   25 3  o 253.7599 4.203284 655.1058       21.69018  648.4714       
27.05192  667.0489       36.29580  252.4311 5.269916 255.9366 6.973850 
-3.505478      8.741087 
1 1 1 4   25 4  o 592.8551 5.570799 3577.700       67.16106  3643.615       
79.29685  3410.421       126.3232  598.1682 6.519004 577.9513 10.74831 
20.21686       12.57075 
1 1 1 4   25 5  o 236.7906 4.799127 570.6531       23.10884  517.1415       
28.97179  664.2391       38.31396  225.3346 6.322604 255.3012 7.379938 
-29.96658      9.717963 
1 1 1 4   25 6  o 288.9788 5.834464 850.5756       34.28612  798.6182       
50.18515  896.0538       46.95197  279.6993 8.823326 296.4012 7.789732 
-16.70181      11.76992 
1 1 1 4   25 7  o 119.8227 5.827908 146.2996       14.20048  152.2014       
17.50267  134.9314       24.29156  121.9481 7.088524 114.3129 10.56948 
7.635193       12.72639 
1 1 1 4   25 8  o 150.0533 6.070973 229.6083       18.52488  240.7362       
24.81790  215.6076       27.83764  153.2769 7.989934 144.7939 9.507151 
8.483032       12.41873 
1 1 1 4   25 9  o 153.2323 6.079151 239.5937       18.94282  211.8701       
23.76741  287.8713       31.36393  143.6602 8.169431 167.3202 9.253823 
-23.65999      12.34394 
1 1 1 4   25 10 o 175.3889 5.485931 313.8527       19.56608  325.3175       
27.14489  301.4547       28.22812  178.2986 7.486671 171.5424 8.092061 
6.756256       11.02414 
1 1 1 4   25 11 o 173.7023 5.514637 308.0161       19.47933  338.1132       
27.47375  277.5919       27.62271  181.6940 7.435771 164.2826 8.295262 
17.41135       11.14011 
1 1 1 4   25 12 o 146.4578 7.593057 220.5568       22.53656  252.2045       
40.34167  206.1996       27.17183  155.0707 12.91034 141.1422 9.522644 
13.92851       16.04237 
1 1 1 4   25 13 o 128.4224 8.073151 170.2109       20.97584  148.8395       
33.40805  184.1185       26.95015  118.2097 14.18085 133.0625 10.03369 
-14.85278      17.37158 
1 1 1 4   25 14 o 73.24438 12.38525 57.55897       17.78953  38.10781       
25.44794  76.14880       24.87812  59.29120 18.80334 83.56074 15.20075 
-24.26954      24.17909 
1 1 1 4   25 15 o 83.80124 11.81109 74.79183       19.56931  66.89072       
27.33220  83.10237       28.03143  77.19879 17.77769 86.73493 16.49561 
-9.536140      24.25183 
1 1 1 4   25 16 o 81.24252 15.78361 73.25134       25.13633  62.49673       
27.89203  119.7519       57.99788  73.95059 18.57292 97.71096 27.84023 
-23.76037      33.46687 
1 1 1 4   25 17 o 63.38391 19.64112 46.71171       27.93081  46.71171       
27.93081  0.000000       0.000000  63.38391 19.64112 ?        ?        
0.000000       19.64112 
1 1 1 4   25 18 o 70.36201 12.87650 55.36750       17.74519  62.50406       
26.71066  49.72919       23.74185  71.97092 18.23021 64.45239 17.61292 
7.518524       25.34868 
1 1 1 4   25 19 o 52.66698 15.26729 33.29558       17.30169  4.132823       
26.06416  56.26926       23.13369  39.29947 17.18266 67.49275 16.89459 
-28.19329      24.09712 
1 1 1 4   26 0  f 229.4361 4.072881 535.4902       19.00268  510.3374       
35.92977  545.2582       22.39050  223.8362 7.893555 231.4992 4.756229 
-7.663010      9.215743 
1 1 1 4   26 1  o 279.3020 5.102430 793.8008       28.98028  0.000000       
0.000000  793.8008       28.98028  ?        ?        279.3020 5.102430 
0.000000       5.102430 
1 1 1 4   26 2  o 498.4539 4.840524 2528.158       49.06467  2415.495       
66.87820  2659.477       72.20318  487.0445 6.752499 511.0280 6.948007 
-23.98346      9.688706 
1 1 1 4   26 3  o 104.3206 4.912347 110.7492       10.42102  115.2039       
14.76685  106.3298       14.70843  106.1318 6.879174 101.9197 7.141829 
4.212082       9.916085 
1 1 1 4   26 4  o 266.1397 4.405521 720.7577       23.84286  735.3575       
30.26267  696.8630       38.71541  268.7592 5.537230 261.5094 7.280230 
7.249725       9.146729 
1 1 1 4   26 5  o 119.7342 5.510559 145.9824       13.41730  138.3395       
16.65362  160.1204       22.65035  116.2884 7.076054 124.9271 8.975758 
-8.638763      11.42956 
1 1 1 4   26 6  o 118.0235 7.584282 142.6977       18.10625  179.2501       
29.98386  121.7186       22.71558  131.8022 11.29615 108.5726 10.41636 
23.22952       15.36566 
1 1 1 4   26 7  o 180.8695 4.705837 333.1637       17.30827  331.6961       
21.16853  336.1239       30.06328  180.3970 5.770455 181.3770 8.150846 
-0.9800720     9.986712 
1 1 1 4   26 8  f 246.8291 4.391223 620.5332       22.04111  621.8270       
26.34200  617.5126       40.24907  246.9954 5.244553 245.7264 8.054760 
1.269012       9.611685 
1 1 1 4   26 9  o 165.2470 4.984032 278.3847       16.74811  276.4548       
20.09046  282.7812       30.32347  164.5746 6.003099 165.8052 9.027521 
-1.230560      10.84128 
1 1 1 4   26 10 o 82.59052 8.113922 70.58308       13.45146  71.55569       
16.14128  68.37218       24.33621  82.84373 9.769240 79.52231 15.60646 
3.321419       18.41194 
1 1 1 4   26 11 o 119.8635 7.071589 147.6217       17.16041  151.3138       
23.50161  143.4049       25.11569  120.8245 9.645530 117.3611 10.63937 
3.463394       14.36080 
1 1 1 4   26 12 o 62.33293 16.26636 42.68728       20.83730  27.45748       
36.03450  50.33826       25.54052  57.47472 22.02481 67.41394 18.20395 
-9.939217      28.57404 
1 1 1 4   26 13 o 197.6861 7.008584 400.9439       28.17460  391.0601       
39.96769  410.7072       39.72325  194.0271 10.16502 199.2258 9.805007 
-5.198608      14.12324 
1 1 1 4   26 14 o 28.52971 13.20566 -13.92638      18.12373  1.429116       
23.80885  -35.08405      27.94734  39.21270 16.77936 31.89730 15.25285 
7.315397       22.67590 
1 1 1 4   26 15 o 166.4764 7.409354 285.2487       25.08328  272.0511       
32.99337  303.3238       38.61176  161.4493 10.10017 169.9994 11.23248 
-8.550079      15.10569 
1 1 1 4   26 16 f 50.86694 19.36046 23.15076       27.72559  23.15076       
27.72559  0.000000       0.000000  50.86694 19.36046 ?        ?        
0.000000       19.36046 
1 1 1 4   26 17 o 99.50389 11.20764 106.2625       22.28315  63.25847       
28.33235  176.0023       36.08018  73.04752 18.92156 126.4659 14.27963 
-53.41838      23.70513 
1 1 1 4   26 18 o 155.2051 7.917305 253.1279       24.90510  241.6263       
30.74911  275.0623       42.46354  150.0911 10.13391 157.1931 13.41242 
-7.101929      16.81039 
1 1 1 4   26 19 f 92.14398 11.88524 95.62309       21.75117  80.89806       
26.56577  125.5707       37.88571  80.99713 16.68415 98.28519 19.64244 
-17.28806      25.77181 
1 1 1 4   27 0  o 172.8925 4.774642 304.1563       16.78682  0.000000       
0.000000  304.1563       16.78682  ?        ?        172.8925 4.774642 
0.000000       4.774642 
1 1 1 4   27 1  o 679.8351 8.568542 4711.160       118.4573  0.000000       
0.000000  4711.160       118.4573  ?        ?        679.8351 8.568542 
0.000000       8.568542 
1 1 1 4   27 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   27 3  o 145.2035 4.205667 214.5338       12.41833  195.1278       
17.32683  235.0313       17.80739  138.4223 6.155475 151.9328 5.763646 
-13.51051      8.432644 
1 1 1 4   27 4  o 199.5626 4.181295 405.2690       16.96842  425.6527       
21.19359  368.8698       28.32098  204.4782 5.096900 190.2257 7.321289 
14.25249       8.920743 
1 1 1 4   27 5  o 85.36130 7.129380 74.81561       12.26227  82.35874       
15.43498  61.90859       20.19032  89.40517 8.595637 76.54351 13.46281 
12.86166       15.97286 
1 1 1 4   27 6  o 384.6489 8.610913 1512.051       67.35426  0.000000       
0.000000  1512.051       67.35426  ?        ?        384.6489 8.610913 
0.000000       8.610913 
1 1 1 4   27 7  o 207.1423 4.496733 437.0154       18.94164  420.1766       
22.77633  474.7809       34.10942  203.0254 5.516732 215.5427 7.781972 
-12.51726      9.539047 
1 1 1 4   27 8  o 213.3559 4.809248 463.9176       20.86572  466.7103       
26.07860  458.9489       34.78463  213.8595 5.996590 211.7630 8.077668 
2.096497       10.06021 
1 1 1 4   27 9  o 56.13318 11.29307 33.64540       12.44437  31.19827       
15.02535  38.99061       22.20638  53.77917 13.70062 60.11686 17.25881 
-6.337681      22.03573 
1 1 1 4   27 10 o 322.7933 4.522990 1062.378       29.68941  1070.631       
34.75475  1040.092       57.11095  323.8822 5.276862 318.1505 8.827454 
5.731750       10.28442 
1 1 1 4   27 11 o 169.0304 5.656962 291.9311       19.44462  269.9525       
26.18247  318.9616       29.03608  162.1588 7.939970 176.2300 8.102269 
-14.07127      11.34416 
1 1 1 4   27 12 o 51.62735 16.28807 28.22551       19.11422  13.70767       
35.21392  34.28970       22.75881  51.39755 21.07959 56.55016 17.76358 
-5.152611      27.56617 
1 1 1 4   27 13 o 164.8772 7.044204 279.1078       23.61804  258.0391       
37.21753  293.3128       30.55985  156.7775 11.75948 168.2904 8.962062 
-11.51299      14.78526 
1 1 1 4   27 14 o 149.8944 7.045912 230.8969       21.47701  191.2211       
29.47705  275.7923       31.35613  135.0409 10.82513 162.8523 9.509753 
-27.81139      14.40899 
1 1 1 4   27 15 o 40.65780 15.67497 12.77295       18.32685  50.40770       
27.87639  -15.87605      24.32186  66.54343 19.40498 33.48434 15.42795 
33.05908       24.79062 
1 1 1 4   27 16 o 193.4882 7.760950 387.4380       30.53660  437.0416       
36.42671  270.1661       56.00936  205.0220 8.737117 154.9121 18.12216 
50.10986       20.11840 
1 1 1 4   27 17 o 96.80598 9.759735 99.72894       18.95069  138.3563       
29.03616  71.06560       25.01238  112.4182 12.93733 78.51952 16.20233 
33.89868       20.73379 
1 1 1 4   27 18 o 27.31871 12.62390 -10.07904      16.45981  -40.36826      
23.78967  17.73613       22.79740  26.44960 12.97162 43.91233 17.32092 
-17.46273      21.63971 
1 1 1 4   27 19 o 45.59991 15.27163 24.82508       16.67079  63.98197       
24.96780  -6.674357      22.39379  70.58880 17.48457 32.76817 14.98876 
37.82063       23.02983 
1 1 1 4   28 0  o 316.8121 3.771469 1021.073       24.29762  990.1824       
34.15351  1052.729       34.57441  311.8966 5.384846 321.6029 5.286684 
-9.706268      7.546230 
1 1 1 4   28 1  o 241.0307 3.955226 591.0663       19.38630  627.8340       
32.26381  570.2907       24.25265  248.2900 6.390060 236.7109 5.038363 
11.57912       8.137443 
1 1 1 4   28 2  o 201.1472 4.112361 411.6877       16.82119  455.7194       
27.91562  386.5857       21.07750  211.5153 6.490140 194.8704 5.318899 
16.64484       8.391222 
1 1 1 4   28 3  o 163.7634 4.513808 272.9507       15.03181  315.3246       
24.72038  248.0907       18.93460  175.8999 6.910956 156.0701 5.966021 
19.82979       9.129881 
1 1 1 4   28 4  o 347.6604 5.622386 1231.122       39.74910  1199.642       
55.62859  1263.963       56.81770  342.8791 7.978213 351.9575 7.938566 
-9.078339      11.25490 
1 1 1 4   28 5  o 55.00370 12.02526 32.24891       13.07540  20.36925       
18.95581  43.03175       18.05955  46.77301 16.26863 63.39248 14.34425 
-16.61947      21.68930 
1 1 1 4   28 6  o 45.51761 14.60958 20.94196       15.32713  5.549782       
26.11615  29.02892       18.93006  43.39811 18.01056 52.77631 16.13925 
-9.378204      24.18379 
1 1 1 4   28 7  o 215.1654 5.248594 471.9630       22.96502  446.8609       
30.36758  505.4958       35.09860  209.1318 7.140665 222.3317 7.763134 
-13.19983      10.54776 
1 1 1 4   28 8  o 137.6428 5.340327 193.2509       14.94765  204.8782       
18.35491  170.3559       25.75630  141.6269 6.373164 128.3540 9.945492 
13.27286       11.81228 
1 1 1 4   28 9  o 96.19106 8.273271 95.60024       16.02569  73.75610       
21.03990  125.7855       24.73281  83.37715 12.81979 109.7796 11.23738 
-26.40248      17.04775 
1 1 1 4   28 10 o 150.8359 5.400298 232.3256       16.56433  211.5187       
19.60109  284.3073       30.98146  143.7563 6.705048 165.9335 9.217872 
-22.17717      11.39854 
1 1 1 4   28 11 o 29.96558 12.55721 1.912062       12.87305  -2.738590      
15.18536  13.79071       24.26899  29.96084 13.10708 45.32153 17.87298 
-15.36069      22.16391 
1 1 1 4   28 12 o 55.03364 16.13815 33.00321       19.23280  18.48980       
36.12976  38.74212       22.71932  53.51216 21.57065 59.39894 17.57471 
-5.886784      27.82379 
1 1 1 4   28 13 o 31.84027 13.85746 -1.835562      16.78117  1.284451       
23.31951  -5.186623      24.16754  38.74515 16.59337 36.94094 16.33376 
1.804207       23.28372 
1 1 1 4   28 14 o 121.9248 8.603760 154.4265       21.19511  127.7664       
28.56884  187.0651       31.61020  109.2837 13.11751 133.0652 11.80440 
-23.78149      17.64690 
1 1 1 4   28 15 o 65.87563 15.15687 48.43716       19.88208  9.622121       
28.51698  85.15094       27.73436  45.27211 18.80688 87.42801 16.19614 
-42.15590      24.81963 
1 1 1 4   28 16 o 149.5645 9.216798 234.5875       27.89583  234.4044       
32.88378  235.0574       52.68430  148.5789 10.96101 143.4373 18.49276 
5.141556       21.49711 
1 1 1 4   28 17 o 80.05376 11.10559 69.77079       17.59202  112.0910       
26.88764  38.09412       23.26208  100.3484 13.52036 56.80943 17.97354 
43.53898       22.49107 
1 1 1 4   28 18 o 50.07905 15.32648 29.92100       17.06759  20.60502       
25.51213  37.46834       22.96305  45.86828 18.24983 54.91970 17.90452 
-9.051418      25.56615 
1 1 1 4   29 0  o 77.50989 6.382543 61.60689       9.970672  0.000000       
0.000000  61.60689       9.970672  ?        ?        77.50989 6.382543 
0.000000       6.382543 
1 1 1 4   29 1  o 438.2752 4.458096 1954.862       39.73267  2020.809       
57.63235  1895.124       54.85170  445.3936 6.363132 431.3344 6.253521 
14.05923       8.921657 
1 1 1 4   29 2  o 155.9003 3.946362 247.3194       12.51109  258.0395       
17.81678  236.8914       17.57246  159.1838 5.504009 152.5143 5.665924 
6.669495       7.899165 
1 1 1 4   29 3  o 274.4995 3.851642 766.7823       21.50002  763.2105       
30.44064  770.3377       30.37071  273.7417 5.468412 275.0202 5.430490 
-1.278442      7.706734 
1 1 1 4   29 4  o 142.9276 4.729128 208.0156       13.74512  210.3460       
17.32484  204.0570       22.57994  143.6651 5.930159 141.1564 7.897985 
2.508743       9.876485 
1 1 1 4   29 5  o 198.5349 4.648497 401.4433       18.76726  406.0328       
23.87280  394.0182       30.36509  199.5659 5.882548 196.4146 7.602377 
3.151367       9.612518 
1 1 1 4   29 6  o 68.73616 10.67340 49.65208       14.43509  56.73151       
22.64177  44.80404       18.73676  72.52245 15.79966 64.50900 14.62089 
8.013451       21.52672 
1 1 1 4   29 7  o 197.1244 5.196243 396.2489       20.82962  395.8063       
27.49198  396.8455       31.91558  196.8003 6.869559 196.8854 7.971460 
-0.8511353E-01 10.52307 
1 1 1 4   29 8  o 290.2524 4.366178 858.6400       25.77085  867.0729       
30.69818  838.5114       47.42751  291.5328 5.178138 285.9819 8.155309 
5.550964       9.660340 
1 1 1 4   29 9  o 92.17556 8.678294 88.06556       16.07527  85.46160       
21.21367  91.57748       24.63601  90.04577 11.87481 92.82600 13.44244 
-2.780228      17.93629 
1 1 1 4   29 10 o 253.4725 5.303541 656.2027       27.33683  695.3345       
35.72605  600.9274       42.46053  260.5604 6.742564 241.6660 8.640093 
18.89441       10.95963 
1 1 1 4   29 11 o 261.8580 5.478759 700.9714       29.17424  695.6574       
37.19607  709.4664       47.02977  260.4123 7.023995 262.3187 8.816417 
-1.906464      11.27234 
1 1 1 4   29 12 o 135.6814 8.435226 190.5954       23.15865  197.1048       
44.85028  188.2289       27.04265  134.5820 16.75049 134.3583 9.968758 
0.2237244      19.49243 
1 1 1 4   29 13 o 55.76652 14.95614 34.35845       17.31002  48.21886       
25.14776  21.87822       23.86287  65.39818 18.22773 48.91361 18.09849 
16.48457       25.68669 
1 1 1 4   29 14 o 156.0551 7.396019 250.9219       23.47077  244.6256       
31.52425  258.7532       35.15755  152.8666 10.19955 156.8296 11.09562 
-3.963013      15.07128 
1 1 1 4   29 15 o 150.2517 7.292944 233.0320       22.28300  261.9754       
32.32274  206.8177       30.76108  157.9260 10.11797 139.8841 10.89993 
18.04196       14.87218 
1 1 1 4   29 16 o 141.2486 9.601649 210.5632       27.41544  185.0813       
32.50294  273.3918       51.03707  130.8226 12.36425 155.9327 16.33785 
-25.11014      20.48902 
1 1 1 4   29 17 o 61.76844 18.78677 46.99958       25.69860  46.99958       
25.69860  0.000000       0.000000  61.76844 18.78677 ?        ?        
0.000000       18.78677 
1 1 1 4   29 18 o 73.19737 13.68054 62.77037       19.61465  74.45454       
35.07553  57.45399       23.65991  72.45343 21.92854 67.40640 17.20322 
5.047028       27.87134 
1 1 1 4   30 0  o 226.4869 3.497320 521.8911       16.10757  512.7020       
22.46106  531.6204       23.11197  224.4153 4.921827 228.5152 4.973595 
-4.099884      6.997216 
1 1 1 4   30 1  o 405.0715 4.273567 1670.006       35.20251  1760.951       
51.63847  1591.047       48.11573  415.7389 6.108032 395.1898 5.987285 
20.54901       8.553106 
1 1 1 4   30 2  o 298.8688 3.846400 909.0094       23.37687  919.7614       
33.25027  898.5001       32.87275  300.4976 5.441300 297.0040 5.442799 
3.493622       7.696220 
1 1 1 4   30 3  o 153.1552 4.150098 238.7766       12.92533  241.7823       
18.42594  235.8648       18.13586  154.0256 5.882818 152.1302 5.862342 
1.895325       8.305096 
1 1 1 4   30 4  o 348.0232 4.303690 1233.285       30.45794  1208.468       
35.84813  1297.702       57.75485  344.4010 5.118595 356.3739 7.969501 
-11.97293      9.471692 
1 1 1 4   30 5  o 335.4424 4.763849 1146.437       32.49581  1097.956       
39.54180  1247.297       57.03392  328.0887 5.926711 349.2271 8.031077 
-21.13846      9.981188 
1 1 1 4   30 6  o 339.7229 5.144355 1176.740       35.53917  1236.770       
47.35407  1099.323       53.77616  347.9457 6.692594 327.6929 8.069959 
20.25278       10.48404 
1 1 1 4   30 7  o 229.4438 4.957091 536.8759       23.12888  569.7087       
30.94476  495.3179       34.81449  236.1121 6.444920 219.9032 7.785330 
16.20885       10.10685 
1 1 1 4   30 8  o 178.5779 4.685780 325.2405       17.01614  338.0558       
20.62223  297.9014       30.12056  181.9469 5.573647 170.0484 8.739965 
11.89856       10.36593 
1 1 1 4   30 9  o 172.5842 4.884576 303.9783       17.14271  316.0232       
20.84690  278.8244       30.12602  175.8314 5.830335 164.3074 9.051311 
11.52394       10.76657 
1 1 1 4   30 10 o 113.9357 6.372131 133.3323       14.70456  156.3523       
17.87753  85.18589       25.85454  123.2514 7.163772 88.77760 14.84549 
34.47384       16.48358 
1 1 1 4   30 11 o 146.2777 5.592693 218.8965       16.63606  234.3577       
19.85269  182.4394       30.48525  151.2018 6.456704 131.7919 11.48989 
19.40996       13.17978 
1 1 1 4   30 12 o 55.50711 14.71533 33.97962       16.87928  32.89719       
22.39744  35.40252       25.67955  55.18956 17.65504 57.40834 18.94460 
-2.218781      25.89591 
1 1 1 4   30 13 o 75.27757 16.88037 63.66208       25.20276  0.000000       
0.000000  63.66208       25.20276  ?        ?        75.27757 16.88037 
0.000000       16.88037 
1 1 1 4   30 14 o 62.38698 15.52179 43.63500       19.61184  18.46254       
27.48636  69.74062       27.99119  48.54253 19.05976 78.18597 17.98041 
-29.64343      26.20247 
1 1 1 4   30 15 o 128.7781 8.103443 172.7586       21.11264  134.6046       
30.42222  208.2067       29.32363  111.0864 13.76182 140.3973 10.34372 
-29.31095      17.21570 
1 1 1 4   30 16 o 120.1808 10.37522 154.3294       25.10762  225.6237       
31.65486  33.39621       41.22741  145.1777 10.79961 57.89276 23.14563 
87.28494       25.54118 
1 1 1 4   30 17 o 74.16658 11.71493 61.37830       17.08179  57.54141       
26.11385  64.24789       22.58348  67.65310 18.46528 73.56317 15.58138 
-5.910072      24.16084 
1 1 1 4   30 18 o 45.66194 16.13302 24.91803       18.68603  -18.57356      
33.82891  44.01429       22.41607  36.50420 17.26056 58.11302 17.51721 
-21.60882      24.59226 
1 1 1 4   31 0  o 310.6084 5.318398 982.6465       33.59275  0.000000       
0.000000  982.6465       33.59275  ?        ?        310.6084 5.318398 
0.000000       5.318398 
1 1 1 4   31 1  o 127.2898 5.553095 165.0755       14.37408  165.0755       
14.37408  0.000000       0.000000  127.2898 5.553095 ?        ?        
0.000000       5.553095 
1 1 1 4   31 2  o 115.1511 4.378270 135.0064       10.25232  154.5741       
14.79200  116.9160       14.22268  123.1444 5.906917 106.8663 6.576624 
16.27811       8.839890 
1 1 1 4   31 3  o 217.0265 3.791539 479.4547       16.73322  502.2380       
24.12905  458.3456       23.22551  221.9968 5.344931 212.0709 5.385583 
9.925980       7.587674 
1 1 1 4   31 4  o 149.7990 5.169833 228.7178       15.74841  209.7498       
21.27773  251.6959       23.41920  143.0910 7.337102 156.9496 7.337711 
-13.85860      10.37666 
1 1 1 4   31 5  o 155.3923 5.890386 246.4103       18.61335  201.0893       
27.20164  286.3160       25.52481  139.6298 9.639029 167.3144 7.502015 
-27.68459      12.21438 
1 1 1 4   31 6  o 92.44307 8.234151 88.27330       15.31700  93.47972       
23.52078  84.43960       20.18326  94.20677 12.59291 89.76930 11.30722 
4.437469       16.92438 
1 1 1 4   31 7  o 91.62349 6.856799 86.37638       12.68292  100.0114       
16.11257  64.16773       20.56352  98.40799 8.124253 77.42515 13.55446 
20.98284       15.80275 
1 1 1 4   31 8  o 210.2950 4.472106 451.0414       19.12461  444.7537       
22.86801  465.6711       34.88200  208.6792 5.388871 212.9450 8.055315 
-4.265839      9.691648 
1 1 1 4   31 9  o 106.7924 6.455130 117.2019       13.95246  118.2023       
16.75891  114.9424       25.18654  106.9996 7.754776 104.3830 12.08931 
2.616615       14.36273 
1 1 1 4   31 10 o 99.28027 7.077301 101.6728       14.19479  115.2508       
17.00085  70.41888       25.79313  105.5367 7.980631 79.89176 16.42506 
25.64494       18.26125 
1 1 1 4   31 11 o 155.9896 5.354172 248.9274       16.98398  251.0054       
20.25483  244.0061       31.17024  156.4418 6.366847 152.9475 10.07829 
3.494232       11.92093 
1 1 1 4   31 12 o 77.89520 12.95674 65.63950       19.80285  72.86524       
27.55346  57.91938       28.48048  80.49748 17.34397 71.15687 19.22669 
9.340614       25.89361 
1 1 1 4   31 13 o 206.9100 4.957989 438.0301       20.86115  435.0406       
25.97955  443.4564       35.00187  205.8387 6.206593 207.0199 8.314340 
-1.181229      10.37545 
1 1 1 4   31 14 o 243.6428 5.657896 609.1335       28.03237  603.4151       
39.44772  614.9671       39.84275  241.3775 8.036625 243.6749 8.040575 
-2.297379      11.36830 
1 1 1 4   31 15 o 47.20783 16.04124 23.78998       18.39601  7.178104       
27.15182  37.88617       25.01155  42.78504 18.09877 57.53109 18.68267 
-14.74606      26.01168 
1 1 1 4   31 16 o 157.9186 7.613139 260.4110       24.44829  304.6630       
32.17174  199.9259       37.61251  169.4400 9.373429 133.6848 14.04562 
35.75523       16.88611 
1 1 1 4   31 17 o 34.87730 14.22934 8.352583       15.94068  4.518268       
24.07144  11.34745       21.27391  38.15837 16.60197 39.51661 16.31559 
-1.358231      23.27711 
1 1 1 4   31 18 o 62.50571 15.15442 48.91100       19.06283  47.18584       
33.55273  49.73330       23.16464  56.77314 21.37052 60.96760 17.66343 
-4.194466      27.72537 
1 1 1 4   32 0  o 58.30651 5.797137 34.99190       6.782433  37.07823       
9.483278  32.80725       9.704153  59.72188 8.010509 55.97651 8.816815 
3.745373       11.91237 
1 1 1 4   32 1  o 154.7706 3.642987 243.8082       11.46562  228.1745       
16.17646  259.5912       16.25348  149.6386 5.316041 159.6280 5.007095 
-9.989380      7.302827 
1 1 1 4   32 2  o 22.89436 9.536263 1.118138       7.360150  5.742908       
10.68919  -3.051356      10.14942  30.44520 11.90555 24.03901 10.60923 
6.406181       15.94672 
1 1 1 4   32 3  o 63.62708 7.066403 41.86020       8.988628  39.59605       
12.97990  43.94651       12.45973  61.18490 10.82844 64.74754 9.766798 
-3.562641      14.58237 
1 1 1 4   32 4  o 285.9597 7.470980 836.3927       43.44441  0.000000       
0.000000  836.3927       43.44441  ?        ?        285.9597 7.470980 
0.000000       7.470980 
1 1 1 4   32 5  o 186.2232 4.337378 353.4046       16.42527  359.0226       
20.44575  343.1801       27.58252  187.5858 5.359838 183.1133 7.407347 
4.472565       9.143120 
1 1 1 4   32 6  o 288.3490 6.127824 849.7119       35.93157  1056.273       
65.40952  760.4395       43.00072  320.1213 10.04789 272.3629 7.763837 
47.75848       12.69793 
1 1 1 4   32 7  o 21.74532 10.08302 -8.964200      10.63411  0.2495091      
13.51647  -23.93206      17.22765  29.74133 12.68237 24.77952 11.88256 
4.961811       17.37923 
1 1 1 4   32 8  o 330.2815 5.089621 1114.019       34.18386  1063.953       
42.29147  1208.373       58.05860  322.3473 6.451747 342.7290 8.330369 
-20.38171      10.53661 
1 1 1 4   32 9  o 134.6337 6.492839 185.7575       17.77623  166.6002       
22.81671  215.3438       28.35512  126.7675 8.907589 143.9434 9.744381 
-17.17586      13.20220 
1 1 1 4   32 10 o 43.19321 13.35120 19.72850       12.91511  7.570024       
15.38713  48.71545       23.75851  35.55517 14.16471 65.96122 17.44476 
-30.40605      22.47128 
1 1 1 4   32 11 o 93.13470 7.776328 90.03217       14.59308  84.99077       
17.27199  102.6090       27.28052  89.99246 9.585648 97.32301 14.20268 
-7.330551      17.13478 
1 1 1 4   32 12 o 161.6131 7.431214 269.2996       24.42237  273.9157       
33.86736  264.2985       35.25108  161.6371 10.35810 158.4548 11.00828 
3.182312       15.11531 
1 1 1 4   32 13 o 102.1595 8.255397 108.7635       17.00361  106.4615       
20.78740  113.4179       29.55858  100.3817 10.33095 101.7781 14.70830 
-1.396439      17.97394 
1 1 1 4   32 14 o 45.52882 15.84082 21.25908       17.97264  20.36611       
26.13889  22.05981       24.75208  48.37713 18.70065 48.65413 18.34663 
-0.2770042     26.19758 
1 1 1 4   32 15 o 126.2641 8.177442 167.0660       20.88378  136.6979       
30.43213  194.0966       28.71120  111.1757 13.75428 134.8374 10.55528 
-23.66177      17.33765 
1 1 1 4   32 16 o 41.84203 16.16536 16.26804       19.52338  6.646615       
26.16374  28.35632       29.32665  40.81009 17.52958 51.35445 19.82032 
-10.54436      26.46000 
1 1 1 4   32 17 o 44.54288 15.02828 23.40212       16.14491  32.53369       
23.75685  15.56550       22.00800  50.94139 18.17012 41.40877 16.78486 
9.532616       24.73630 
1 1 1 4   33 0  o 40.78356 8.092311 17.60138       6.474447  20.42304       
9.104930  14.71519       9.208449  43.74481 10.38965 37.60490 11.20310 
6.139912       15.27922 
1 1 1 4   33 1  o 96.91124 4.393959 95.66436       8.659275  77.61602       
12.41110  112.7836       12.08744  86.88263 7.086394 105.0102 5.681589 
-18.12762      9.082810 
1 1 1 4   33 2  o 150.0356 3.898467 229.2329       11.89432  225.1461       
16.84771  233.2940       16.79464  148.5731 5.576342 151.2473 5.460491 
-2.674225      7.804649 
1 1 1 4   33 3  o 147.4869 4.094040 221.5834       12.27883  225.2863       
17.75159  218.1865       17.00241  148.5678 5.875722 146.2228 5.717996 
2.344955       8.198755 
1 1 1 4   33 4  o 90.47775 6.313525 84.04472       11.54342  82.18766       
15.11061  86.64730       17.88840  89.12871 8.437492 91.27174 9.790846 
-2.143028      12.92486 
1 1 1 4   33 5  o 154.9071 4.579481 244.6897       14.42577  247.1621       
18.19784  240.5085       23.66482  155.5585 5.752739 153.1924 7.596521 
2.366119       9.528963 
1 1 1 4   33 6  o 155.2824 7.014930 247.0186       22.15118  268.2019       
45.68195  240.5066       25.32810  159.3779 14.24513 152.8049 8.180726 
6.572968       16.42705 
1 1 1 4   33 7  o 56.86582 10.17616 34.41729       11.33552  23.78260       
14.08453  53.97218       19.09887  47.13193 13.80726 70.60548 13.79671 
-23.47355      19.51895 
1 1 1 4   33 8  o 50.57243 11.54757 27.66853       11.61464  32.20783       
14.48517  19.49515       19.43701  54.35406 13.22988 45.72142 16.42179 
8.632637       21.08803 
1 1 1 4   33 9  o 225.1473 4.492253 517.5535       20.56754  532.6083       
24.79342  484.3304       36.83148  228.2028 5.342740 216.7003 8.358113 
11.50250       9.919825 
1 1 1 4   33 10 o 59.51687 11.30493 38.19952       13.18200  29.30931       
15.98786  57.07405       23.29551  51.68630 14.57910 71.46117 16.38075 
-19.77488      21.92896 
1 1 1 4   33 11 o 143.2211 5.828339 210.3545       16.97474  213.6494       
20.17608  202.3717       31.40433  144.0957 6.885483 138.4671 11.25027 
5.628555       13.19009 
1 1 1 4   33 12 o 162.0112 7.488698 270.9621       24.67192  318.6756       
35.13789  224.5645       34.64995  174.4363 9.946963 145.4431 11.81762 
28.99313       15.44662 
1 1 1 4   33 13 o 38.00671 15.57560 7.384263       19.20709  -17.72659      
26.81008  33.86197       27.53008  34.70447 16.06298 56.11979 19.60089 
-21.41533      25.34195 
1 1 1 4   33 14 o 111.1509 8.075965 129.1541       18.12932  127.8478       
22.34767  131.6686       31.00547  109.7353 10.12893 109.1719 14.31078 
0.5634689      17.53265 
1 1 1 4   33 15 o 152.8122 7.082782 242.8386       22.00965  242.5579       
31.95457  243.0920       30.35936  150.4128 10.51324 150.9878 9.943442 
-0.5749664     14.47067 
1 1 1 4   33 16 o 34.19451 14.85344 2.098011       19.20645  -19.76151      
25.20802  32.34941       29.65454  31.64606 14.94390 52.48642 20.01169 
-20.84036      24.97575 
1 1 1 4   33 17 o 97.31401 13.38801 111.6202       25.79213  111.6202       
25.79213  0.000000       0.000000  97.31401 13.38801 ?        ?        
0.000000       13.38801 
1 1 1 4   34 0  f 212.4274 3.500840 459.4082       15.12287  440.4084       
21.16984  479.2079       21.61090  207.8491 5.008620 216.8235 4.901343 
-8.974426      7.007813 
1 1 1 4   34 1  f 88.64603 4.626930 80.30465       8.311796  62.67324       
12.05168  96.29900       11.47856  77.88190 7.710882 96.96188 5.848879 
-19.07998      9.678176 
1 1 1 4   34 2  o 52.24306 7.524101 28.50002       7.762910  36.91816       
11.54158  21.54550       10.49038  59.13105 9.951827 44.83678 11.46161 
14.29426       15.17918 
1 1 1 4   34 3  o 189.1418 4.235314 364.5863       16.29014  372.5729       
21.12205  352.8621       25.59143  191.0596 5.436456 185.7419 6.775374 
5.317657       8.686814 
1 1 1 4   34 4  o 119.8928 6.974611 147.6475       16.93106  147.6475       
16.93106  0.000000       0.000000  119.8928 6.974611 ?        ?        
0.000000       6.974611 
1 1 1 4   34 5  o 83.53336 6.671778 71.88664       11.23865  74.37722       
14.46531  68.09370       17.85111  84.63723 8.520397 80.31750 11.23728 
4.319725       14.10225 
1 1 1 4   34 6  o 85.28175 10.14956 76.25562       17.25601  81.04267       
41.24686  75.24002       18.99852  84.01548 23.31843 84.38716 11.35973 
-0.3716812     25.93824 
1 1 1 4   34 7  o 62.69183 9.216563 41.41795       11.39911  51.57974       
14.42921  24.54628       18.59245  69.78253 10.49298 48.78231 16.12086 
21.00022       19.23499 
1 1 1 4   34 8  o 304.8574 5.046525 949.9030       31.28532  943.3547       
39.71431  960.6125       50.78928  303.3100 6.438857 305.2815 8.181258 
-1.971497      10.41114 
1 1 1 4   34 9  f 150.4496 5.246831 231.5823       16.05238  244.2150       
19.54616  205.4098       28.13436  154.3027 6.229263 140.2479 9.928996 
14.05472       11.72129 
1 1 1 4   34 10 o 61.34553 11.28464 40.61720       13.55865  41.77462       
16.66158  38.34809       23.32909  61.56092 13.66587 58.63986 17.91401 
2.921062       22.53148 
1 1 1 4   34 11 o 60.78539 11.96633 40.25644       14.26492  40.62709       
17.43333  39.50547       24.81483  60.39075 14.39870 59.30092 18.53576 
1.089828       23.47120 
1 1 1 4   34 12 o 39.83541 15.28829 12.80390       17.37874  24.66769       
23.06935  -2.763050      26.42563  49.66150 17.88488 39.03214 17.17740 
10.62936       24.79782 
1 1 1 4   34 13 o 65.93314 15.27279 49.25575       20.07530  79.29931       
28.61497  20.13572       28.17174  82.96734 17.51045 49.04971 19.28409 
33.91763       26.04788 
1 1 1 4   34 14 o 176.9906 5.884488 322.9453       21.17924  322.1508       
25.30053  324.8058       38.71610  176.2420 7.059417 174.2595 10.98174 
1.982452       13.05503 
1 1 1 4   34 15 o 75.05763 9.909856 61.06292       14.75578  62.66832       
19.20850  58.75161       23.04789  74.38893 13.18044 70.08311 16.45361 
4.305817       21.08187 
1 1 1 4   34 16 o 81.67390 12.36768 76.25248       19.89821  65.12220       
26.01085  91.95638       30.89620  71.06758 17.98349 84.43990 18.50412 
-13.37232      25.80326 
1 1 1 4   34 17 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 4   35 0  o 137.7663 3.671054 193.2989       10.28455  199.6764       
14.55924  186.9471       14.52990  139.9110 5.117236 135.3639 5.278473 
4.547043       7.351760 
1 1 1 4   35 1  o 25.95032 9.565692 5.478658       6.654075  5.057467       
10.04073  5.808497       8.885398  29.17251 11.49881 28.59162 10.94150 
0.5808926      15.87259 
1 1 1 4   35 2  o 152.6372 3.858861 237.3739       11.97763  224.6707       
16.98774  249.9322       16.89054  148.3252 5.632085 156.4799 5.308032 
-8.154678      7.739224 
1 1 1 4   35 3  o 149.5233 4.405567 227.9768       13.39559  234.9328       
17.57627  218.3369       20.69101  151.6403 5.699815 146.0126 6.968509 
5.627640       9.002666 
1 1 1 4   35 4  o 80.98681 8.580376 68.20738       13.91574  68.20738       
13.91574  0.000000       0.000000  80.98681 8.580376 ?        ?        
0.000000       8.580376 
1 1 1 4   35 5  o 349.4138 4.353257 1245.509       30.93184  1259.050       
37.03385  1214.268       56.25014  351.0633 5.187546 343.6258 8.049826 
7.437531       9.576550 
1 1 1 4   35 6  o 72.35635 9.373970 54.97660       13.46858  57.98882       
20.93051  52.84782       17.59554  72.86897 14.63316 69.99651 12.83458 
2.872452       19.46422 
1 1 1 4   35 7  o 86.76103 6.830826 77.74030       11.95426  73.46844       
14.95545  85.29917       19.89392  83.87006 8.905049 89.81727 11.13047 
-5.947212      14.25438 
1 1 1 4   35 8  o 129.4668 5.504180 171.5978       14.49114  160.0743       
17.62640  195.6290       25.45411  124.5960 6.984934 137.1148 9.182036 
-12.51872      11.53686 
1 1 1 4   35 9  o 253.2994 4.486321 655.6501       23.10873  649.6655       
27.36788  670.5153       43.13306  251.8768 5.343203 254.5973 8.331152 
-2.720551      9.897368 
1 1 1 4   35 10 o 232.5121 4.701780 553.0175       22.23101  549.3998       
26.34214  561.9709       41.44113  231.4596 5.596602 232.6603 8.759068 
-1.200653      10.39438 
1 1 1 4   35 11 o 140.0049 6.036588 201.4445       17.18645  186.8171       
20.66508  234.2574       30.95118  134.2046 7.603384 149.1637 10.26633 
-14.95917      12.77532 
1 1 1 4   35 12 o 68.95371 13.27342 52.51093       17.93651  48.79581       
23.61822  57.57324       27.56989  65.00886 17.48492 70.08686 18.90814 
-5.078003      25.75345 
1 1 1 4   35 13 o 95.13342 10.90715 97.12380       20.71942  98.60059       
29.48549  95.68328       29.12128  93.11697 16.15730 91.66650 16.21571 
1.450470       22.89121 
1 1 1 4   35 14 o 122.5747 7.452472 157.1871       18.48785  171.9291       
22.50666  126.6021       32.41799  127.5572 8.729169 105.0810 15.64827 
22.47623       17.91833 
1 1 1 4   35 15 o 111.5635 7.781990 131.7162       17.54428  135.4830       
20.68460  122.0582       33.12072  112.3364 9.133818 100.6826 16.76649 
11.65372       19.09298 
1 1 1 4   35 16 o 37.81517 15.46656 11.96790       18.89243  -3.076119      
24.43883  34.31014       29.78255  34.90501 15.84652 51.38527 19.93406 
-16.48026      25.46525 
1 1 1 4   35 17 o 65.96915 13.02512 53.07475       16.85315  84.72636       
25.53175  28.63500       22.43526  80.36926 16.18194 46.37954 17.47170 
33.98971       23.81419 
1 1 1 4   36 0  o 174.7264 3.517601 310.9650       12.49846  313.2754       
17.86733  308.7512       17.48971  175.2136 5.014648 173.9525 4.944250 
1.261032       7.042181 
1 1 1 4   36 1  o 77.93947 5.005237 62.24942       7.890981  76.48115       
11.61914  50.06612       10.75048  86.18684 6.681737 69.44048 7.745087 
16.74635       10.22898 
1 1 1 4   36 2  o 113.2827 4.561976 130.9135       10.50916  137.1970       
14.38230  123.7152       15.39357  115.6552 6.137181 109.6728 6.937979 
5.982384       9.262858 
1 1 1 4   36 3  o 88.31917 5.574904 80.04151       9.961145  88.62910       
13.40548  69.45412       14.88473  92.68951 7.167856 81.58694 9.127999 
11.10257       11.60597 
1 1 1 4   36 4  o 232.1964 4.966036 550.6636       23.44859  550.6636       
23.44859  0.000000       0.000000  232.1964 4.966036 ?        ?        
0.000000       4.966036 
1 1 1 4   36 5  o 98.85844 6.527204 100.6262       13.04792  100.5520       
18.33391  100.7024       18.57351  98.19932 9.291565 98.24108 9.412358 
-0.4176331E-01 13.22595 
1 1 1 4   36 6  o 58.00874 11.47670 36.30993       13.05882  50.23261       
20.89878  27.39168       16.72628  67.33444 15.57297 50.32035 15.12337 
17.01410       21.70792 
1 1 1 4   36 7  o 61.32220 9.332055 39.82766       11.27005  40.86760       
14.60504  38.29699       17.71903  61.38472 12.13025 58.79768 14.82326 
2.587040       19.15390 
1 1 1 4   36 8  o 149.7949 5.072974 229.6221       15.45294  248.5134       
19.19175  194.7953       26.05794  155.6207 6.064512 136.5894 9.439397 
19.03127       11.21965 
1 1 1 4   36 9  o 111.9369 6.479066 129.2887       14.68507  134.2468       
18.26378  120.2208       24.69924  113.6555 7.952322 106.2167 11.62485 
7.438858       14.08462 
1 1 1 4   36 10 o 118.3390 6.496611 144.5993       15.57404  128.2624       
18.58693  183.0992       28.53332  110.8887 8.302958 131.5466 10.76067 
-20.65792      13.59159 
1 1 1 4   36 11 o 64.14184 11.78469 44.87362       14.80487  53.16879       
18.71652  31.00758       24.19852  69.20581 13.78364 53.54811 18.39501 
15.65770       22.98619 
1 1 1 4   36 12 o 108.9199 8.777844 124.6222       19.27722  126.2680       
26.06541  122.6351       28.64036  108.1440 12.05781 105.7236 13.63964 
2.420410       18.20523 
1 1 1 4   36 13 o 156.2437 6.378973 252.4350       20.26770  257.7920       
24.71612  241.4381       35.41229  157.2791 7.727834 149.4658 11.74554 
7.813293       14.05977 
1 1 1 4   36 14 f 55.80536 14.63962 36.48708       16.82030  46.00488       
20.46796  16.68926       29.51991  62.02130 16.09080 46.38869 19.19144 
15.63261       25.04446 
1 1 1 4   36 15 o 130.6021 6.888271 179.6484       18.22943  180.3950       
21.22576  177.5497       35.58684  130.0463 8.066064 122.8873 14.52136 
7.159050       16.61118 
1 1 1 4   36 16 o 45.96750 15.19414 26.62621       16.51594  26.62621       
16.51594  0.000000       0.000000  45.96750 15.19414 ?        ?        
0.000000       15.19414 
1 1 1 4   37 0  f 103.3179 4.084480 108.8377       8.581512  125.6030       
12.34593  93.16580       11.93660  110.8679 5.476040 95.22064 6.198277 
15.64726       8.270772 
1 1 1 4   37 1  o 127.3470 3.880007 165.3217       10.04784  165.3117       
14.58585  165.3308       13.86139  127.1591 5.640699 127.2004 5.358790 
-0.4134369E-01 7.780368 
1 1 1 4   37 2  o 154.2606 4.150815 242.7124       13.02087  249.3395       
17.18222  233.7730       19.95612  156.1819 5.410001 151.0511 6.496820 
5.130753       8.454394 
1 1 1 4   37 3  o 257.5414 3.753906 676.2307       19.65992  691.1546       
28.15825  662.0361       27.46150  260.0109 5.325527 254.4797 5.306641 
5.531189       7.518089 
1 1 1 4   37 4  o 64.83643 10.28697 44.66847       13.11018  44.66847       
13.11018  0.000000       0.000000  64.83643 10.28697 ?        ?        
0.000000       10.28697 
1 1 1 4   37 5  o 178.4495 4.911725 325.4910       17.82382  317.4390       
23.81746  335.7403       26.87130  175.8414 6.660744 180.6605 7.314321 
-4.819122      9.892664 
1 1 1 4   37 6  o 57.69683 11.42820 36.01166       12.93431  24.43965       
19.81291  44.60616       17.07475  48.80659 16.64725 63.75869 13.58502 
-14.95209      21.48683 
1 1 1 4   37 7  o 210.3188 4.383292 451.9605       18.74692  444.5600       
22.64510  468.0799       33.42068  208.3426 5.344962 212.9490 7.717706 
-4.606354      9.387843 
1 1 1 4   37 8  o 106.7826 6.365316 117.6472       13.75924  118.2057       
17.05065  116.6046       23.29698  106.6158 7.921031 104.7803 11.10289 
1.835495       13.63880 
1 1 1 4   37 9  o 115.5393 6.363647 137.7937       14.89394  148.9495       
18.20727  115.2299       25.89406  119.7931 7.512156 103.3647 12.57834 
16.42841       14.65084 
1 1 1 4   37 10 o 99.46142 7.476948 102.9464       15.01208  113.8414       
18.38891  81.17726       25.99338  104.1870 8.760746 85.00526 15.61249 
19.18177       17.90252 
1 1 1 4   37 11 f 48.58059 14.77318 26.20961       15.89208  18.65958       
20.55741  37.42295       25.05312  44.76506 16.75165 57.32936 18.70216 
-12.56430      25.10754 
1 1 1 4   37 12 o 68.70650 13.28433 52.74032       17.88906  52.12083       
24.00973  53.51337       26.82099  66.46876 17.51654 66.81711 18.89573 
-0.3483505     25.76583 
1 1 1 4   37 13 o 85.72027 10.13193 79.28964       17.31992  88.38338       
21.42255  62.12695       29.43015  89.52876 12.07477 70.50272 19.74297 
19.02604       23.14271 
1 1 1 4   37 14 o 74.63187 11.37588 62.14154       16.71879  54.84979       
19.77950  80.38664       31.28763  68.08229 14.71574 78.81105 19.60344 
-10.72876      24.51220 
1 1 1 4   37 15 o 32.13293 13.45260 5.897285       14.75261  0.3272425      
17.01852  22.73647       29.59056  31.11679 13.73519 46.32587 19.19390 
-15.20908      23.60214 
1 1 1 4   37 16 o 102.1920 8.644190 115.2057       17.79512  115.2057       
17.79512  0.000000       0.000000  102.1920 8.644190 ?        ?        
0.000000       8.644190 
1 1 1 4   38 0  o 101.3772 4.185580 104.8470       8.628739  103.4474       
12.14591  106.2731       12.26066  100.3495 5.979129 101.7201 5.953237 
-1.370621      8.437476 
1 1 1 4   38 1  o 89.77014 4.839625 82.55382       8.802125  84.04979       
11.97042  80.79273       12.98790  90.30290 6.563513 88.38544 7.291230 
1.917458       9.810287 
1 1 1 4   38 2  o 129.9109 4.335574 172.2646       11.45364  180.5196       
15.29484  161.7247       17.28246  132.8058 5.663388 125.3399 6.806067 
7.465912       8.854180 
1 1 1 4   38 3  o 72.06350 5.849885 53.53643       8.498638  65.17164       
12.49088  43.50751       11.59665  79.15706 7.863914 64.22917 9.136212 
14.92789       12.05452 
1 1 1 4   38 4  o 197.4434 5.155869 398.7893       20.70122  398.7893       
20.70122  0.000000       0.000000  197.4434 5.155869 ?        ?        
0.000000       5.155869 
1 1 1 4   38 5  o 195.2522 4.868092 389.8674       19.32886  375.0958       
25.79697  408.7752       29.18593  191.0457 6.640185 199.2509 7.203138 
-8.205261      9.796799 
1 1 1 4   38 6  o 82.83895 8.297743 71.69956       13.79008  58.44455       
20.59968  82.46329       18.56315  72.74342 14.43511 88.20606 10.55896 
-15.46265      17.88474 
1 1 1 4   38 7  o 136.8064 5.148727 191.7306       14.32378  192.7103       
17.89770  189.9851       23.88965  136.8695 6.430418 134.9690 8.751287 
1.900497       10.85980 
1 1 1 4   38 8  o 163.2843 5.264917 273.4018       17.48185  304.0659       
22.89498  230.5247       27.07304  171.7989 6.553428 148.4766 9.009199 
23.32225       11.14060 
1 1 1 4   38 9  o 135.3866 5.777562 188.4231       15.90640  199.5213       
19.59171  166.9589       27.24609  138.9841 6.931957 125.3439 10.79459 
13.64020       12.82869 
1 1 1 4   38 10 o 104.8314 7.259652 114.3085       15.38074  118.2571       
18.98784  106.7736       26.22968  106.0501 8.886594 98.68967 13.41768 
7.360413       16.09365 
1 1 1 4   38 11 o 40.12592 14.69459 15.32079       15.66601  29.09382       
21.05134  -1.773989      23.45291  51.19774 17.16111 36.75592 16.17889 
14.44182       23.58517 
1 1 1 4   38 12 o 100.9294 9.627304 108.7123       19.51983  90.53836       
25.58660  134.0172       30.19191  89.37608 14.58077 109.5556 13.86221 
-20.17955      20.11864 
1 1 1 4   38 13 o 59.70631 13.91016 41.45317       16.57546  68.98711       
20.44006  -11.42936      28.32723  77.79687 13.40403 36.19258 16.66617 
41.60429       21.38759 
1 1 1 4   38 14 o 80.63480 9.969017 71.63913       15.99836  60.50559       
18.65548  102.5864       31.10290  71.98343 13.23209 90.15098 17.59754 
-18.16755      22.01730 
1 1 1 4   38 15 o 38.02891 13.95793 16.29861       14.14600  7.824708       
15.94783  47.57091       30.63654  33.53169 14.00814 56.18099 20.55311 
-22.64930      24.87284 
1 1 1 4   38 16 o 63.87247 12.99165 50.83693       16.29996  50.83693       
16.29996  0.000000       0.000000  63.87247 12.99165 ?        ?        
0.000000       12.99165 
1 1 1 4   39 0  o 39.57255 8.576518 16.78362       6.702488  18.25176       
9.278907  15.18182       9.692086  41.11148 10.91589 37.94489 11.53656 
3.166595       15.88235 
1 1 1 4   39 1  o 31.27586 9.877766 10.04885       7.028232  14.55685       
9.736080  5.143540       10.15606  37.30804 11.60205 29.17588 11.54414 
8.132162       16.36688 
1 1 1 4   39 2  o 127.2027 4.065612 165.1494       10.51656  174.6912       
15.20452  156.3976       14.56161  130.5805 5.725891 123.5427 5.796167 
7.037743       8.147477 
1 1 1 4   39 3  o 63.78236 6.488202 42.20409       8.298261  39.94625       
12.14036  44.18400       11.36864  61.17618 10.11213 64.73952 8.868646 
-3.563343      13.45020 
1 1 1 4   39 4  o 122.5999 7.657727 155.6967       18.99597  155.6967       
18.99597  0.000000       0.000000  122.5999 7.657727 ?        ?        
0.000000       7.657727 
1 1 1 4   39 5  f 57.36565 9.204593 35.02583       10.37453  41.30565       
13.55523  26.14564       16.11923  61.82642 11.19367 48.92711 14.87835 
12.89931       18.61890 
1 1 1 4   39 6  o 31.07981 12.50037 5.379584       12.10416  -5.340646      
20.56804  11.05928       14.97110  33.54575 14.93795 37.16819 14.20752 
-3.622448      20.61543 
1 1 1 4   39 7  o 128.5927 5.357292 169.6581       14.00919  182.7302       
17.80873  148.4370       22.69053  133.1517 6.577107 118.8092 9.470347 
14.34254       11.53021 
1 1 1 4   39 8  o 87.87481 7.409056 80.50657       13.11622  88.91988       
16.70681  66.98999       21.17599  91.83961 9.063882 77.69938 13.91308 
14.14024       16.60505 
1 1 1 4   39 9  o 167.9973 5.191526 289.7404       17.73572  304.3315       
22.15619  263.7130       29.59152  171.7703 6.343013 158.4003 9.226665 
13.37000       11.19666 
1 1 1 4   39 10 o 29.37093 12.59623 0.6786371      13.47159  3.020506       
17.03129  -3.235588      22.01857  33.79426 14.31699 35.14243 15.56199 
-1.348164      21.14596 
1 1 1 4   39 11 o 151.9627 6.500657 239.0770       20.08841  217.5724       
25.20084  276.5570       33.26974  143.7395 8.662057 161.0621 10.21073 
-17.32263      13.38993 
1 1 1 4   39 12 o 48.11063 17.54156 25.22933       22.28933  7.134450       
42.50115  32.09422       26.17818  48.63453 21.57457 52.77336 19.04553 
-4.138824      28.77837 
1 1 1 4   39 13 o 30.61460 13.31246 0.8723311      15.46049  9.071788       
18.46163  -18.37907      28.28841  36.82831 15.20177 33.94960 15.97011 
2.878708       22.04854 
1 1 1 4   39 14 o 75.26089 10.64312 63.97654       15.83452  73.98850       
18.27146  33.77332       31.73514  80.36765 11.50853 50.90158 20.32219 
29.46607       23.35460 
1 1 1 4   39 15 f 57.07188 12.20958 39.50937       13.74166  41.11428       
15.36433  33.09261       30.72174  57.28713 13.42343 48.08981 19.70217 
9.197319       23.84039 
1 1 1 4   40 0  o 107.4602 4.353212 117.9583       9.512811  135.1449       
12.68768  95.89255       14.37629  114.8749 5.431322 96.19620 7.406102 
18.67873       9.184204 
1 1 1 4   40 1  o 109.4573 4.436023 122.4207       9.873928  130.4876       
13.30856  112.5432       14.72655  112.6580 5.829174 104.3455 6.980526 
8.312454       9.094339 
1 1 1 4   40 2  o 190.9699 3.677191 372.1151       14.28014  377.2294       
20.50350  367.2973       19.90034  191.9276 5.253384 189.4062 5.166720 
2.521378       7.368381 
1 1 1 4   40 3  o 85.81833 5.238236 75.71632       9.097711  108.6675       
13.70861  49.78082       12.16200  102.5677 6.607670 68.69650 8.916284 
33.87124       11.09781 
1 1 1 4   40 4  o 37.39538 14.07551 11.77279       14.55504  11.77279       
14.55504  0.000000       0.000000  37.39538 14.07551 ?        ?        
0.000000       14.07551 
1 1 1 4   40 5  o 48.67096 10.34383 25.74804       9.922153  38.67563       
13.41413  10.13002       14.74405  59.57976 11.48807 36.34851 14.04663 
23.23125       18.14618 
1 1 1 4   40 6  o 66.88579 10.31081 48.03769       13.57351  70.62799       
21.76246  33.65432       17.36510  79.91076 13.89675 54.61662 15.11991 
25.29414       20.53609 
1 1 1 4   40 7  o 93.94716 6.663546 91.56742       12.64776  92.94783       
16.42330  89.55557       19.82688  94.01039 8.689094 91.41694 10.87901 
2.593452       13.92312 
1 1 1 4   40 8  o 122.2144 5.905715 153.8291       14.67731  154.6747       
18.58719  152.4284       23.92148  121.8447 7.538661 119.9205 9.897868 
1.924179       12.44183 
1 1 1 4   40 9  o 90.39483 8.063273 85.80831       14.66637  91.13844       
18.53526  76.88271       23.98549  92.40429 10.02484 82.51820 14.83938 
9.886093       17.90822 
1 1 1 4   40 10 o 26.76315 12.03686 -5.028984      13.71759  -3.214852      
16.97441  -8.444094      23.28964  30.76092 13.64065 34.13224 15.48559 
-3.371325      20.63664 
1 1 1 4   40 11 o 82.19098 9.649530 72.66565       15.82120  71.17998       
19.49064  75.53563       27.08976  79.97858 12.38427 79.42197 17.26562 
0.5566101      21.24787 
1 1 1 4   40 12 o 83.41184 14.88518 81.61707       24.32221  83.35931       
45.27057  80.91010       28.83779  74.86931 25.16561 80.57087 18.04884 
-5.701561      30.96883 
1 1 1 4   40 13 o 85.00725 9.507462 79.28545       16.15362  61.54677       
18.68213  131.8353       32.15522  72.42564 13.16991 104.0007 15.69239 
-31.57509      20.48652 
1 1 1 4   40 14 o 30.13970 12.98035 3.534583       14.41743  0.7745134      
16.31060  13.39671       30.83154  30.25088 13.39497 41.88035 18.48671 
-11.62947      22.82945 
1 1 1 4   40 15 o 51.13209 13.54605 33.88970       14.30984  32.08493       
16.11582  40.61539       31.11073  48.61697 14.89535 49.58672 20.00652 
-0.9697456     24.94258 
1 1 1 4   41 0  o 106.2858 4.445434 115.4864       9.608175  134.9114       
12.86434  90.97969       14.44938  114.7100 5.514867 93.54179 7.663384 
21.16818       9.441463 
1 1 1 4   41 1  o 163.3583 3.719165 272.3951       12.35487  291.2580       
17.78556  254.8046       17.17526  168.6096 5.187210 157.6660 5.356904 
10.94360       7.456779 
1 1 1 4   41 2  o 73.93181 5.608363 56.40009       8.368955  41.99637       
12.37695  68.53278       11.35939  62.63235 10.05810 81.24395 6.942286 
-18.61160      12.22132 
1 1 1 4   41 3  o 53.85433 7.673892 30.58675       8.166334  38.41191       
12.94044  25.40789       10.52736  59.48684 11.10581 48.20267 10.98455 
11.28417       15.62048 
1 1 1 4   41 4  o 113.6104 8.036142 134.5937       18.44615  134.5937       
18.44615  0.000000       0.000000  113.6104 8.036142 ?        ?        
0.000000       8.036142 
1 1 1 4   41 5  o 53.55261 9.673244 30.92974       10.14659  37.22536       
13.54782  22.88712       15.31259  58.18116 11.85323 45.85490 14.59053 
12.32626       18.79848 
1 1 1 4   41 6  o 143.9179 5.089466 212.5812       14.89493  208.5889       
19.03586  218.8852       23.92023  142.1130 6.586994 144.7667 8.158666 
-2.653702      10.48582 
1 1 1 4   41 7  o 25.81343 11.26745 -1.304770      11.16613  -11.21076      
15.14732  10.48519       16.52506  25.95078 12.03335 37.48942 14.75976 
-11.53864      19.04343 
1 1 1 4   41 8  o 76.72506 8.834682 62.46433       13.53241  88.78607       
17.70766  25.50962       20.98161  91.28200 9.687538 48.73044 17.10647 
42.55156       19.65909 
1 1 1 4   41 9  o 110.8980 6.932942 128.1023       15.55634  144.5579       
19.77702  101.3994       25.19328  117.2162 8.351624 95.56888 13.32591 
21.64735       15.72671 
1 1 1 4   41 10 o 75.03114 10.28027 61.08744       15.27300  77.66461       
19.34015  33.61934       24.89539  84.05978 11.62526 53.75898 18.64709 
30.30079       21.97409 
1 1 1 4   41 11 o 54.25491 13.69937 34.31153       15.11727  27.56103       
18.77180  46.76788       25.49961  48.61426 16.20483 60.91859 18.74866 
-12.30433      24.78122 
1 1 1 4   41 12 o 114.6641 11.48986 147.1351       26.43082  108.6612       
43.91167  168.9929       33.09790  85.01704 24.22502 120.6820 13.73120 
-35.66495      27.84595 
1 1 1 4   41 13 o 34.05475 13.74477 9.774222       14.68954  6.174366       
17.11319  19.85207       28.63336  33.54935 14.28738 44.21313 18.63799 
-10.66378      23.48412 
1 1 1 4   41 14 o 38.14300 13.85767 17.57282       13.89258  17.28504       
15.54399  18.71538       30.97230  38.21525 14.50793 42.33067 18.61351 
-4.115417      23.59964 
1 1 1 4   42 0  o 85.05019 4.796581 74.30422       8.261949  68.22932       
11.39925  81.02684       11.99156  81.01808 6.987330 88.40671 6.720524 
-7.388626      9.694752 
1 1 1 4   42 1  o 103.4649 4.424943 109.5240       9.310049  108.8563       
13.23082  110.1789       13.10291  102.6183 6.371796 103.2692 6.269105 
-0.6508636     8.938762 
1 1 1 4   42 2  o 81.55062 5.331593 68.53702       8.793030  68.91821       
13.04669  68.21975       11.90238  81.10471 8.015368 80.88749 7.315199 
0.2172165      10.85165 
1 1 1 4   42 3  o 187.1744 4.284514 358.4704       16.30795  357.6219       
26.89343  358.9638       20.50886  185.9291 7.112911 186.9595 5.394392 
-1.030396      8.927092 
1 1 1 4   42 4  o 63.06818 10.18773 42.89658       12.62050  42.89658       
12.62050  0.000000       0.000000  63.06818 10.18773 ?        ?        
0.000000       10.18773 
1 1 1 4   42 5  o 60.96757 8.832372 39.64491       10.63140  45.80366       
14.08773  31.49738       16.20346  64.82789 11.08460 52.67027 14.61413 
12.15762       18.34233 
1 1 1 4   42 6  o 29.47539 11.93851 4.738849       11.12463  -0.5735411     
14.78205  11.67748       16.89377  29.96790 13.02415 38.37239 14.97779 
-8.404491      19.84850 
1 1 1 4   42 7  o 36.41541 12.71505 13.30216       11.58449  -1.646364      
15.16954  34.21761       17.94349  29.78290 13.06290 54.45799 15.47453 
-24.67509      20.25093 
1 1 1 4   42 8  o 140.4145 5.795594 203.4518       16.54861  212.2852       
21.05227  189.1666       26.77184  142.6548 7.281316 133.1818 9.957152 
9.472931       12.33541 
1 1 1 4   42 9  o 138.2967 6.110245 197.9928       17.18391  191.6636       
21.52473  209.1156       28.53447  135.0704 7.870678 139.6714 10.11490 
-4.601013      12.81635 
1 1 1 4   42 10 o 68.56010 12.04406 52.80000       16.17901  81.68595       
20.90309  9.637308       25.55180  85.38853 12.40074 41.49252 17.55500 
43.89601       21.49317 
1 1 1 4   42 11 o 79.68581 10.01660 69.74148       15.87261  66.90884       
19.22992  75.79710       28.11647  76.28847 12.85243 77.01616 18.23477 
-0.7276917     22.30901 
1 1 1 4   42 12 o 31.64033 13.83882 1.833102       16.92012  -17.30490      
20.83715  38.87940       28.99096  28.24893 13.41239 53.31544 19.90461 
-25.06650      24.00179 
1 1 1 4   42 13 o 26.29033 11.89997 -2.968514      13.65849  -1.775921      
15.64376  -6.793038      28.01456  28.45783 12.82143 34.54232 16.13362 
-6.084490      20.60784 
1 1 1 4   42 14 o 35.41020 13.53851 14.74806       13.59623  17.08507       
15.07514  4.559626       31.47638  37.27760 14.25503 37.21644 17.28814 
0.6116104E-01  22.40727 
1 1 1 4   43 0  o 114.9838 3.776027 135.1027       8.829235  128.3767       
11.53456  144.6202       13.72098  111.8614 5.070717 118.5902 5.689640 
-6.728806      7.621298 
1 1 1 4   43 1  o 61.73134 6.482225 39.74315       8.015820  38.55149       
11.27333  40.96172       11.39989  59.92411 9.573455 61.87851 9.351292 
-1.954391      13.38274 
1 1 1 4   43 2  o 95.10970 4.896308 93.03558       9.437760  92.13999       
13.72683  93.83847       12.99707  94.02040 7.235098 95.03204 6.769742 
-1.011642      9.908382 
1 1 1 4   43 3  o 46.20078 10.04850 23.35393       9.171848  -13.68804      
15.11599  44.93783       11.53864  25.06419 11.75296 64.91838 8.981033 
-39.85419      14.79159 
1 1 1 4   43 4  o 144.1295 5.795283 214.0903       16.98553  214.0903       
16.98553  0.000000       0.000000  144.1295 5.795283 ?        ?        
0.000000       5.795283 
1 1 1 4   43 5  o 39.46515 12.01629 17.01856       10.50932  22.46859       
14.40963  10.82530       15.36078  45.00034 14.13439 36.79174 14.30392 
8.208599       20.10928 
1 1 1 4   43 6  o 52.02391 11.30963 30.05962       11.62343  22.86535       
15.05918  40.66203       18.28144  45.34526 14.47364 59.22775 15.12526 
-13.88250      20.93466 
1 1 1 4   43 7  o 93.01464 8.284633 91.39018       15.50620  141.7928       
23.72834  53.82284       20.48548  114.9475 10.25900 68.13026 15.17519 
46.81720       18.31757 
1 1 1 4   43 8  o 50.34632 13.08170 28.96078       13.51499  39.27236       
17.84266  15.08177       20.70029  57.92244 15.02155 41.93335 16.51625 
15.98908       22.32563 
1 1 1 4   43 9  o 29.81033 12.79641 1.493758       13.92603  5.785697       
17.89509  -5.096531      22.17479  35.17557 14.77623 33.85413 15.25768 
1.321438       21.23991 
1 1 1 4   43 10 o 70.22373 11.67585 55.65025       16.08792  61.66057       
20.15154  45.08686       26.71536  72.38137 14.19808 58.84764 19.31824 
13.53373       23.97456 
1 1 1 4   43 11 o 48.79546 14.26078 29.04490       15.04081  20.31360       
18.09483  48.56369       27.05463  42.41071 15.74662 59.34481 19.43854 
-16.93410      25.01625 
1 1 1 4   43 12 o 30.11728 13.33935 0.7322823      16.18591  2.853619       
20.38993  -2.882020      26.61480  33.72788 14.95354 35.23890 16.20014 
-1.511021      22.04660 
1 1 1 4   43 13 o 67.39043 10.92654 53.95346       14.46107  62.51031       
16.22105  20.81579       31.92147  72.13799 11.43939 42.32031 18.73918 
29.81768       21.95488 
1 1 1 4   43 14 o 40.72522 13.92745 22.78298       13.86813  22.49059       
15.53150  23.93289       30.80109  40.17376 14.64361 41.04826 18.27935 
-0.8744965     23.42157 
1 1 1 4   44 0  o 71.52171 5.262919 52.85808       7.600711  46.76506       
10.00145  61.18777       11.69396  66.68438 7.505924 76.34177 7.635032 
-9.657387      10.70666 
1 1 1 4   44 1  o 112.3212 4.410471 129.2912       10.07392  130.3441       
14.06783  128.1829       14.43250  112.1889 6.190274 111.1790 6.410816 
1.009895       8.911680 
1 1 1 4   44 2  o 36.30304 10.75046 14.31671       8.498331  2.631851       
13.89164  21.30517       10.74318  30.74735 12.97282 43.75493 11.80267 
-13.00758      17.53844 
1 1 1 4   44 3  o 21.00722 9.349013 -2.540959      8.043618  -12.08525      
11.53267  6.499896       11.22439  21.37826 10.09911 30.74497 12.14527 
-9.366711      15.79556 
1 1 1 4   44 4  o 25.05467 11.31540 -5.166522      12.27017  -5.166522      
12.27017  0.000000       0.000000  25.05467 11.31540 ?        ?        
0.000000       11.31540 
1 1 1 4   44 5  o 123.2695 5.457742 156.6450       13.68107  144.7404       
17.64786  174.5747       21.65808  117.5992 7.417670 128.7325 8.317816 
-11.13328      11.14486 
1 1 1 4   44 6  f 96.58704 6.667640 97.32164       13.01592  98.45641       
16.77366  95.60426       20.63511  96.32870 8.655283 93.71742 11.03942 
2.611275       14.02793 
1 1 1 4   44 7  o 122.8680 5.984524 156.3268       14.95271  161.1031       
19.25903  149.0783       23.72541  123.7889 7.688714 117.7325 10.00461 
6.056389       12.61778 
1 1 1 4   44 8  o 71.08279 9.796808 54.99631       13.78494  43.90621       
17.59364  72.62968       22.18481  61.17355 14.38470 79.20984 14.29906 
-18.03629      20.28257 
1 1 1 4   44 9  o 90.64925 8.314526 87.93351       15.15605  82.11428       
18.93616  98.30589       25.28123  85.95455 11.09239 92.02966 13.94583 
-6.075104      17.81930 
1 1 1 4   44 10 o 39.11594 14.32128 16.58438       14.87888  15.50484       
18.19192  18.76562       25.85908  39.62209 15.52123 43.98844 18.05507 
-4.366356      23.80954 
1 1 1 4   44 11 o 42.43299 15.61064 21.71172       17.70893  36.08486       
23.46119  2.678361       26.99802  51.24971 18.08047 37.35085 16.83436 
13.89885       24.70424 
1 1 1 4   44 12 o 41.90407 14.96225 22.84541       16.11295  21.17354       
19.64082  26.28669       28.17850  41.03116 16.11124 44.31169 18.57426 
-3.280525      24.58811 
1 1 1 4   44 13 o 34.94897 13.51558 14.71003       13.65797  8.873929       
15.29942  37.61399       30.30879  32.01311 13.56637 46.28073 19.32084 
-14.26762      23.60807 
1 1 1 4   45 0  o 162.7744 3.785574 271.1241       12.53053  286.7727       
18.03643  256.5247       17.42126  166.8909 5.314549 157.8012 5.428973 
9.089645       7.597248 
1 1 1 4   45 1  o 144.1169 4.079217 212.7811       11.95483  192.7245       
16.61549  234.3080       17.21374  136.5663 5.982990 150.7243 5.616173 
-14.15802      8.205947 
1 1 1 4   45 2  o 77.96638 6.320094 63.34790       9.934108  66.48384       
16.28193  61.48824       12.53830  78.29031 10.49079 76.17053 8.225253 
2.119774       13.33085 
1 1 1 4   45 3  o 172.6577 4.033618 305.4740       14.16225  333.8148       
20.79035  280.9377       19.34460  179.8026 5.686099 164.9116 5.768424 
14.89096       8.099780 
1 1 1 4   45 4  o 84.99849 8.350753 76.63882       14.24770  76.63882       
14.24770  0.000000       0.000000  84.99849 8.350753 ?        ?        
0.000000       8.350753 
1 1 1 4   45 5  o 95.92012 6.441069 95.93471       12.49085  88.61272       
16.32363  106.2787       19.40200  91.13574 8.922431 99.45979 9.716975 
-8.324043      13.19202 
1 1 1 4   45 6  o 97.76549 6.770519 100.0268       13.37757  100.5352       
17.32661  99.27633       21.04972  97.03867 8.878875 95.19446 11.08121 
1.844215       14.19956 
1 1 1 4   45 7  f 34.47308 13.06066 10.76912       12.58128  12.09590       
16.54373  8.949348       19.37507  37.64896 14.78545 37.57911 15.54745 
0.6985092E-01  21.45537 
1 1 1 4   45 8  o 33.88037 13.07206 10.09915       12.75328  20.80438       
16.06651  -8.135485      20.96873  42.94739 14.97531 31.54394 14.45636 
11.40345       20.81457 
1 1 1 4   45 9  o 97.72330 7.855887 102.2725       15.47958  105.2560       
19.19692  96.72651       26.17323  97.82054 9.781634 89.55252 14.89560 
8.268021       17.82019 
1 1 1 4   45 10 o 28.30391 12.94039 -5.302904      16.66406  -5.302904      
16.66406  0.000000       0.000000  28.30391 12.94039 ?        ?        
0.000000       12.94039 
1 1 1 4   45 11 f 48.16404 16.10398 31.90366       18.53722  18.78262       
24.26515  50.29409       28.72729  41.00747 17.21516 55.86511 19.97492 
-14.85764      26.36966 
1 1 1 4   45 12 o 38.18072 15.50616 18.23190       18.82132  18.23190       
18.82132  0.000000       0.000000  38.18072 15.50616 ?        ?        
0.000000       15.50616 
1 1 1 4   45 13 o 38.76382 13.81314 21.05948       13.72643  21.70432       
15.46286  18.66239       29.81310  38.91607 14.53518 38.25104 17.41825 
0.6650314      22.68627 
1 1 1 4   46 0  o 39.92603 10.82777 17.73425       9.013107  21.43246       
9.776890  -3.199325      23.26093  43.78795 10.99541 35.55365 15.85493 
8.234303       19.29451 
1 1 1 4   46 1  f 69.05477 6.959196 50.13600       9.639253  44.10236       
14.78922  54.59222       12.70979  62.74030 12.02944 71.35076 8.957086 
-8.610458      14.99789 
1 1 1 4   46 2  o 125.3385 4.438982 161.3592       11.31409  174.2721       
16.78896  150.6159       15.31368  129.5659 6.372083 120.3345 6.279806 
9.231422       8.946475 
1 1 1 4   46 3  o 39.02562 10.73325 16.96350       8.783815  3.768092       
12.85366  28.52476       12.03145  30.17399 12.58821 50.18386 11.95939 
-20.00988      17.36347 
1 1 1 4   46 4  o 44.13855 10.90156 21.86775       9.727183  33.75156       
13.34736  8.407092       14.20531  54.45593 12.33870 34.05560 13.59647 
20.40033       18.36049 
1 1 1 4   46 5  o 21.30133 9.950487 -8.954576      10.66193  -18.32853      
14.72904  1.364224       15.45353  22.92012 10.98991 31.05338 13.40605 
-8.133259      17.33495 
1 1 1 4   46 6  o 56.78051 11.12636 36.25167       12.38764  34.67761       
16.38265  38.35320       18.92960  53.97701 14.58116 56.18404 15.86937 
-2.207031      21.55104 
1 1 1 4   46 7  o 64.72803 10.72006 46.85358       13.61661  58.44502       
17.50001  29.06789       21.67730  71.35603 12.51669 49.11617 17.37393 
22.23987       21.41311 
1 1 1 4   46 8  o 31.68501 12.84271 7.215756       12.88351  11.75116       
16.66523  0.4789154      20.31100  36.72346 14.70381 33.64730 14.92087 
3.076153       20.94837 
1 1 1 4   46 9  o 29.24975 12.77114 1.444340       14.35473  15.97276       
18.32802  -21.60933      23.08747  39.24755 15.51475 28.65558 13.74510 
10.59196       20.72764 
1 1 1 4   46 10 o 68.02247 13.42763 57.58154       17.91458  57.58154       
17.91458  0.000000       0.000000  68.02247 13.42763 ?        ?        
0.000000       13.42763 
1 1 1 4   46 11 o 43.13060 15.69783 26.23903       17.83866  23.57624       
23.09027  30.18121       28.09504  41.49249 17.04940 44.39814 18.57409 
-2.905655      25.21267 
1 1 1 4   46 12 o 20.28939 9.905966 -17.79783      13.41626  -13.64652      
15.51546  -30.10109      26.71051  23.19899 11.16398 27.06702 13.36510 
-3.868032      17.41437 
1 1 1 4   47 0  o 24.47711 10.61529 -0.3388512     9.778292  -0.7660169     
10.77741  1.649871       23.25430  25.39014 11.07649 37.05594 16.21516 
-11.66580      19.63721 
1 1 1 4   47 1  o 80.57823 6.315296 67.87221       10.26531  43.40536       
15.55564  86.74638       13.66258  61.63806 12.82783 90.68165 7.475668 
-29.04359      14.84719 
1 1 1 4   47 2  o 64.28483 7.061390 43.68239       9.078946  42.93545       
13.13764  44.36520       12.56091  62.23259 10.77118 63.61074 10.04380 
-1.378155      14.72740 
1 1 1 4   47 3  o 88.33654 6.264049 81.54787       11.17948  84.55541       
14.97869  77.76558       16.79751  89.03335 8.371432 84.54554 9.961363 
4.487808       13.01190 
1 1 1 4   47 4  o 46.98953 11.04878 24.98933       10.38010  16.80223       
14.12635  34.59784       15.30358  39.63926 14.02486 54.23223 13.83278 
-14.59297      19.69880 
1 1 1 4   47 5  o 40.70693 12.47822 18.89672       11.30819  8.615413       
15.32009  31.20338       16.76129  34.57946 14.00854 50.90263 15.10330 
-16.32317      20.59973 
1 1 1 4   47 6  o 81.82212 8.298375 72.05158       13.61649  76.46767       
17.45407  65.18469       21.76498  82.93768 10.59068 73.40229 15.08562 
9.535385       18.43200 
1 1 1 4   47 7  o 32.74810 13.95914 4.859697       16.36348  4.859697       
16.36348  0.000000       0.000000  32.74810 13.95914 ?        ?        
0.000000       13.95914 
1 1 1 4   47 8  o 24.17197 11.63850 -19.47190      16.91664  -19.47190      
16.91664  0.000000       0.000000  24.17197 11.63850 ?        ?        
0.000000       11.63850 
1 1 1 4   47 9  o 36.04306 13.88457 14.20655       14.37022  24.94894       
18.14250  -3.880683      23.54141  43.71624 15.84316 32.82917 15.14461 
10.88707       21.91723 
1 1 1 4   47 10 o 75.70992 12.02001 70.55717       17.88744  70.55717       
17.88744  0.000000       0.000000  75.70992 12.02001 ?        ?        
0.000000       12.02001 
1 1 1 4   47 11 o 30.89501 12.94718 9.026918       13.68585  4.682961       
15.76460  22.31723       27.57450  29.74776 13.17069 39.57735 17.47591 
-9.829588      21.88320 
1 1 1 4   48 0  o 77.21866 7.356603 63.13616       11.41216  71.90519       
12.87702  31.03800       24.63654  82.25599 7.791200 51.13366 18.47277 
31.12233       20.04860 
1 1 1 4   48 1  o 40.66088 10.57865 18.62863       8.830455  20.87530       
12.31098  16.24780       12.67320  42.68163 13.00778 38.70690 13.31128 
3.974735       18.61163 
1 1 1 4   48 2  o 30.13779 10.97981 8.646321       8.730247  -2.165136      
12.59377  18.64828       12.11312  26.47741 11.74489 40.59785 12.98330 
-14.12044      17.50738 
1 1 1 4   48 3  o 101.5008 5.920813 107.5433       12.16782  113.8335       
16.22134  99.45028       18.39956  103.4877 7.764684 95.61166 9.592704 
7.876076       12.34141 
1 1 1 4   48 4  o 60.29305 12.76007 42.38084       15.15700  42.38084       
15.15700  0.000000       0.000000  60.29305 12.76007 ?        ?        
0.000000       12.76007 
1 1 1 4   48 5  o 98.69415 8.872289 105.7112       17.61622  105.7112       
17.61622  0.000000       0.000000  98.69415 8.872289 ?        ?        
0.000000       8.872289 
1 1 1 4   48 6  o 68.75330 9.864673 52.82556       13.39686  52.94658       
17.45318  52.65200       20.90181  66.46243 13.37665 64.12618 16.06286 
2.336250       20.90335 
1 1 1 4   48 7  f 84.03799 8.465795 77.41834       14.27052  65.95716       
17.74118  98.42651       24.01939  74.84945 12.06605 90.21964 13.50760 
-15.37019      18.11201 
1 1 1 4   48 8  o 61.86600 11.60192 45.73395       14.05978  29.95993       
17.11331  78.49188       24.66159  47.26194 15.45901 76.27531 16.38800 
-29.01337      22.52882 
1 1 1 4   48 9  o 22.90609 10.86086 -10.53144      13.57271  -0.9479248     
17.56722  -24.72453      21.37860  29.37673 13.37466 25.64730 12.51807 
3.729429       18.31894 
1 1 1 4   48 10 o 36.86890 17.52467 6.681012       35.76743  6.681012       
35.76743  0.000000       0.000000  36.86890 17.52467 ?        ?        
0.000000       17.52467 
1 1 1 4   48 11 o 41.13031 13.78226 25.07112       13.57778  26.48303       
16.01999  21.47013       25.58408  41.04341 14.88559 37.41421 16.66040 
3.629196       22.34166 
1 1 1 4   49 0  f 38.65315 12.19104 16.90092       10.70840  18.77705       
11.94102  9.195012       24.20039  40.52851 12.88331 39.79420 16.96955 
0.7343102      21.30599 
1 1 1 4   49 1  o 42.86950 12.47029 21.35141       11.52510  9.595609       
12.75693  73.55590       26.88277  33.38789 13.02006 75.88600 17.73868 
-42.49812      22.00415 
1 1 1 4   49 2  o 58.67882 10.69498 38.85212       12.29162  41.60692       
14.01132  29.65082       25.60702  60.11672 11.88248 49.42547 18.65518 
10.69125       22.11807 
1 1 1 4   49 3  o 23.67218 11.18808 -12.86612      14.18436  -12.86612      
14.18436  0.000000       0.000000  23.67218 11.18808 ?        ?        
0.000000       11.18808 
1 1 1 4   49 4  o 32.85338 12.17823 10.80348       10.81429  3.654473       
14.56530  19.58581       16.14364  30.74747 13.13965 41.29465 14.94809 
-10.54719      19.90215 
1 1 1 4   49 5  o 119.4484 5.864980 149.6631       14.24618  117.4823       
17.87625  205.6737       23.58378  103.7798 8.546549 137.5455 8.472946 
-33.76565      12.03471 
1 1 1 4   49 6  o 53.04765 12.14833 33.93734       12.82287  21.79956       
16.66226  51.56696       20.08103  42.00549 15.18923 62.54955 15.78652 
-20.54406      21.90723 
1 1 1 4   49 7  o 35.04543 13.26184 13.71752       12.96221  14.63700       
16.41890  12.19636       21.11830  36.72427 14.63145 37.12000 15.84124 
-0.3957329     21.56442 
1 1 1 4   49 8  o 119.9841 7.769001 159.2751       18.85395  123.3345       
24.60547  210.3872       29.34274  99.58759 12.41992 132.8331 10.96072 
-33.24548      16.56478 
1 1 1 4   49 9  o 22.24517 10.58018 -9.802078      13.07596  -9.095469      
15.64142  -11.44198      23.82842  24.61797 11.66868 29.07253 13.95008 
-4.454563      18.18689 
1 1 1 4   49 10 o 25.95624 12.56771 -13.64913      20.41108  -13.64913      
20.41108  0.000000       0.000000  25.95624 12.56771 ?        ?        
0.000000       12.56771 
1 1 1 4   50 0  o 75.61799 7.142814 60.99253       10.85354  67.21646       
12.03367  33.84790       25.13089  79.19135 7.564565 51.08100 18.62593 
28.11036       20.10343 
1 1 1 4   50 1  o 33.64664 11.30300 12.43944       9.132422  15.94213       
12.96236  8.987258       12.86854  37.85908 13.43038 32.70904 12.97798 
5.150040       18.67627 
1 1 1 4   50 2  o 32.30605 11.41238 11.05648       9.350216  -4.902326      
14.17494  23.34896       12.44058  26.38408 12.01291 44.07479 12.99496 
-17.69071      17.69687 
1 1 1 4   50 3  o 111.3965 7.508932 133.2789       16.91064  133.2789       
16.91064  0.000000       0.000000  111.3965 7.508932 ?        ?        
0.000000       7.508932 
1 1 1 4   50 4  o 18.41462 8.927042 -14.97363      10.37715  -20.37878      
14.44583  -9.210509      14.91652  21.47692 10.43933 25.21074 11.77429 
-3.733822      15.73574 
1 1 1 4   50 5  o 37.31321 13.66223 16.28106       13.54130  -2.601928      
21.62407  28.46297       17.36840  32.13809 14.71095 46.24096 15.58739 
-14.10287      21.43312 
1 1 1 4   50 6  o 61.98570 10.74856 45.48376       13.05746  18.52538       
16.80042  86.61176       20.75115  38.85632 15.00026 83.95980 12.53819 
-45.10348      19.55029 
1 1 1 4   50 7  o 56.44224 11.76206 39.76207       13.06228  38.67036       
16.50912  41.58956       21.35976  52.57334 14.80980 51.47626 17.28621 
1.097076       22.76276 
1 1 1 4   50 8  o 44.01499 14.30978 28.13519       14.67176  37.36428       
18.48079  12.40294       24.12886  48.63505 16.07239 35.46904 15.95711 
13.16601       22.64842 
1 1 1 4   50 9  o 65.96424 10.68433 54.98729       13.84185  56.42553       
16.32914  51.31529       26.09148  63.91332 13.00622 49.43090 18.78904 
14.48242       22.85147 
1 1 1 4   50 10 o 31.45835 14.37374 10.24557       20.52041  10.24557       
20.52041  0.000000       0.000000  31.45835 14.37374 ?        ?        
0.000000       14.37374 
1 1 1 4   51 0  o 19.18741 9.133449 -10.52651      9.785173  -18.30365      
10.70675  28.90499       24.10845  17.91050 8.766711 47.15318 18.02802 
-29.24268      20.04657 
1 1 1 4   51 1  f 51.50071 11.44032 31.37393       11.66976  39.44153       
27.67841  29.62975       12.86956  52.14226 19.45232 49.23549 12.75210 
2.906773       23.25959 
1 1 1 4   51 2  o 43.75426 12.36767 23.37256       11.49295  81.10345       
27.67055  11.33674       12.63431  76.14365 18.13064 33.60107 12.99784 
42.54258       22.30839 
1 1 1 4   51 3  o 25.31882 11.68343 -6.013932      14.02600  -6.013932      
14.02600  0.000000       0.000000  25.31882 11.68343 ?        ?        
0.000000       11.68343 
1 1 1 4   51 4  o 50.86511 10.61903 30.70927       10.62917  30.52232       
14.26775  30.94243       15.93369  48.39856 13.81486 47.96935 14.82994 
0.4292030      20.26764 
1 1 1 4   51 5  o 51.30494 11.20875 32.16489       11.36708  28.21191       
14.90109  37.66693       17.57996  45.54465 14.38270 51.58796 15.50454 
-6.043316      21.14835 
1 1 1 4   51 6  o 28.44839 11.96841 6.124270       11.76909  8.505263       
15.42898  2.811150       18.20023  31.69406 13.53336 30.58357 13.79962 
1.110493       19.32825 
1 1 1 4   51 7  o 36.28511 13.10935 17.92085       12.40759  12.92060       
15.53622  26.72579       20.61641  33.26356 13.85518 40.73869 16.33912 
-7.475136      21.42272 
1 1 1 4   51 8  o 104.0101 7.801473 124.5688       16.38053  135.7000       
20.55923  105.2195       27.10608  105.3087 9.709805 79.64636 17.23623 
25.66232       19.78302 
1 1 1 4   51 9  o 32.20931 12.99262 14.75214       13.11782  25.25067       
15.63637  -10.19377      24.10303  38.48598 14.56527 27.30378 13.31890 
11.18220       19.73677 
1 1 1 4   52 0  o 102.1469 6.615510 111.8893       13.66786  131.8763       
15.70032  49.33626       27.77531  110.5706 7.018982 55.64808 19.66835 
54.92255       20.88325 
1 1 1 4   52 1  o 50.18536 9.557557 29.10036       9.397613  33.99360       
14.17467  25.26267       12.55305  51.52978 13.40104 44.59121 13.02702 
6.938572       18.68933 
1 1 1 4   52 2  o 34.73975 11.51791 14.44420       9.488056  14.61239       
14.79198  14.32663       12.36745  35.87563 14.01184 35.05735 13.01783 
0.8182793      19.12578 
1 1 1 4   52 3  o 80.27130 9.250205 73.85602       14.82325  73.85602       
14.82325  0.000000       0.000000  80.27130 9.250205 ?        ?        
0.000000       9.250205 
1 1 1 4   52 4  o 52.28871 10.25265 32.89978       10.51210  29.33983       
13.66652  38.05767       16.45024  46.50367 13.59443 51.84316 14.84605 
-5.339489      20.12992 
1 1 1 4   52 5  o 37.50835 13.24166 19.05670       12.58598  18.12317       
19.73823  19.69634       16.33842  37.03476 15.53587 37.67720 14.72314 
-0.6424370     21.40406 
1 1 1 4   52 6  o 33.12666 12.59158 14.30004       11.71784  3.728678       
14.90858  31.38532       18.95318  28.19156 12.62361 43.14964 16.09701 
-14.95808      20.45652 
1 1 1 4   52 7  o 33.94567 12.87031 16.40188       12.22290  29.40552       
15.55759  -4.569039      19.75689  42.28516 14.73669 27.21705 12.96182 
15.06811       19.62597 
1 1 1 4   52 8  o 32.46421 13.21728 15.67004       13.71772  23.26748       
17.44034  3.344351       22.21401  36.22169 14.84278 29.28769 13.88897 
6.933998       20.32761 
1 1 1 4   53 0  o 33.18788 11.78286 13.10635       9.979157  11.67740       
10.98152  19.87925       23.90790  32.22180 12.20343 39.75558 16.90775 
-7.533783      20.85176 
1 1 1 4   53 1  o 45.80194 8.900284 24.41679       7.991033  27.83485       
10.76995  20.23027       11.91930  47.19858 11.35847 39.31149 12.90358 
7.887085       17.19061 
1 1 1 4   53 2  o 19.04638 8.923112 -6.038890      8.679817  -6.003252      
14.10360  -6.060618      11.01235  24.56158 11.46367 21.68722 10.12468 
2.874365       15.29460 
1 1 1 4   53 3  o 49.45203 12.94826 33.13875       13.17453  33.13875       
13.17453  0.000000       0.000000  49.45203 12.94826 ?        ?        
0.000000       12.94826 
1 1 1 4   53 4  f 22.23031 10.03449 -0.9484821     9.634520  -6.210577      
12.81178  5.900418       14.61641  22.90749 10.76673 29.11616 12.79521 
-6.208664      16.72243 
1 1 1 4   53 5  o 40.54119 13.45576 24.58522       12.94803  17.24817       
19.40175  30.47703       17.38618  34.79815 15.02200 42.38972 15.48690 
-7.591572      21.57555 
1 1 1 4   53 6  o 25.10982 11.05174 3.830770       10.94171  -5.151404      
14.19304  16.98957       17.17879  23.57613 11.15761 33.58608 14.30916 
-10.00996      18.14509 
1 1 1 4   53 7  o 22.08824 10.34396 -2.984933      11.64362  -6.251820      
14.85341  2.222663       18.75330  23.20626 11.10306 27.49959 12.95634 
-4.293329      17.06296 
1 1 1 4   54 0  o 20.51078 9.515703 -4.473458      9.489809  -6.762228      
10.39738  6.946514       23.22497  20.54257 9.669040 33.21777 15.22007 
-12.67520      18.03166 
1 1 1 4   54 1  o 49.70903 7.983344 28.56831       7.796823  28.51500       
10.45129  28.63522       11.70820  47.09797 11.09490 46.03854 12.27981 
1.059429       16.54963 
1 1 1 4   54 2  o 41.60791 10.76775 22.42496       9.180847  21.66525       
14.81602  22.89849       11.69724  37.98326 14.21982 40.23059 12.74715 
-2.247334      19.09694 
1 1 1 4   54 3  f 23.67330 10.98047 -2.677089      12.62596  -2.677089      
12.62596  0.000000       0.000000  23.67330 10.98047 ?        ?        
0.000000       10.98047 
1 1 1 4   54 4  o 17.90158 8.663260 -10.56547      9.667518  -15.44581      
12.94228  -4.405138      14.54078  19.72662 9.652036 24.08158 11.36507 
-4.354961      14.91062 
1 1 1 4   54 5  o 24.45780 11.13728 1.672977       12.18870  1.133571       
18.83338  2.061740       15.98869  27.38926 12.92860 26.54178 12.32679 
0.8474789      17.86333 
1 1 1 4   54 6  o 28.56323 11.76483 11.03189       11.02736  7.462845       
14.19192  16.47003       17.51822  27.35183 12.27715 31.64654 13.95391 
-4.294714      18.58602 
1 1 1 4   55 0  o 39.43498 11.45177 21.40087       9.726724  21.13859       
10.75368  22.58070       22.80759  38.41343 12.22762 36.34452 15.97726 
2.068905       20.11933 
1 1 1 4   55 1  o 16.59742 7.873007 -5.904293      7.147142  -13.15959      
9.735630  2.576383       10.52571  17.19590 8.404794 24.21157 10.73869 
-7.015667      13.63672 
1 1 1 4   55 2  o 52.53883 8.686719 33.78117       8.956516  42.25535       
14.83148  28.91696       11.23678  52.14477 13.77948 44.80539 12.06436 
7.339378       18.31456 
1 1 1 4   55 3  o 24.68513 11.30698 1.653991       12.80414  1.653991       
12.80414  0.000000       0.000000  24.68513 11.30698 ?        ?        
0.000000       11.30698 
1 1 1 4   55 4  o 38.30488 11.62179 21.94880       9.843290  17.83980       
13.05538  27.36156       14.98411  32.86798 13.06211 38.36791 14.31274 
-5.499928      19.37713 
1 1 1 4   55 5  o 32.39788 12.82593 17.93098       12.54290  2.136293       
19.19600  29.69868       16.56918  26.45403 12.64750 37.70526 14.80025 
-11.25123      19.46809 
1 1 1 4   56 0  o 29.93363 11.18840 12.63967       9.165152  3.243630       
10.16487  53.48222       21.19269  23.66863 10.52279 49.42489 17.20115 
-25.75627      20.16454 
1 1 1 4   56 1  o 29.51098 10.99623 12.32991       8.839551  12.43454       
9.825976  11.88589       20.24202  29.47573 11.44565 29.99310 13.90877 
-0.5173645     18.01268 
1 1 1 4   56 2  o 40.69272 9.924428 22.58322       8.138906  10.22816       
12.68877  31.21970       10.60879  27.89811 12.09563 46.23586 11.36391 
-18.33775      16.59646 
1 1 1 4   56 3  o 20.20519 9.825085 -9.442408      12.82970  -9.442408      
12.82970  0.000000       0.000000  20.20519 9.825085 ?        ?        
0.000000       9.825085 
1 1 1 4   56 4  o 23.66129 10.34804 5.505002       9.458823  3.718658       
12.74951  7.691940       14.10682  24.14503 11.14084 26.14381 11.93465 
-1.998781      16.32649 
1 1 1 4   57 0  o 25.79611 10.60244 8.870639       8.932284  6.607755       
9.873715  19.06834       20.96045  24.52084 10.65062 30.46403 14.13645 
-5.943195      17.69957 
1 1 1 4   57 1  o 17.01685 8.207000 -6.996716      8.494697  -13.61441      
9.436763  21.27195       19.50394  16.00206 7.909446 30.99388 14.10384 
-14.99182      16.17027 
1 1 1 4   57 2  o 30.97654 10.54030 14.80742       7.942536  11.95319       
12.75812  16.61365       10.14914  27.43784 12.00838 31.13965 11.74664 
-3.701807      16.79835 
1 1 1 5   0  0  o 19.62082 10.85360 5.371976       6.336305  5.371976       
6.336305  5.371976       6.336305  19.62082 10.85360 19.62082 10.85360 
0.000000       0.000000 
1 1 1 5   0  1  o 399.1470 8.221261 1623.807       66.66638  1623.807       
66.66638  1623.807       66.66638  399.1470 8.221261 399.1470 8.221261 
0.000000       0.000000 
1 1 1 5   0  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   0  3  o 38.83247 17.47485 22.29022       14.77270  22.29022       
14.77270  22.29022       14.77270  38.83247 17.47485 38.83247 17.47485 
0.000000       0.000000 
1 1 1 5   0  4  o 347.1520 5.665369 1226.927       39.97039  1226.927       
39.97039  1226.927       39.97039  347.1520 5.665369 347.1520 5.665369 
0.000000       0.000000 
1 1 1 5   0  5  o 158.6027 5.786416 256.8925       18.60622  256.8925       
18.60622  256.8925       18.60622  158.6027 5.786416 158.6027 5.786416 
0.000000       0.000000 
1 1 1 5   0  6  o 278.6187 5.708786 790.5589       32.31423  790.5589       
32.31423  790.5589       32.31423  278.6187 5.708786 278.6187 5.708786 
0.000000       0.000000 
1 1 1 5   0  7  f 518.6072 7.326008 2737.722       77.22572  2737.722       
77.22572  2737.722       77.22572  518.6072 7.326008 518.6072 7.326008 
0.000000       0.000000 
1 1 1 5   0  8  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   0  9  o 213.8171 10.49876 468.9678       45.39807  468.9678       
45.39807  468.9678       45.39807  213.8171 10.49876 213.8171 10.49876 
0.000000       0.000000 
1 1 1 5   0  10 o 237.0496 6.945585 573.4044       33.41604  573.4044       
33.41604  573.4044       33.41604  237.0496 6.945585 237.0496 6.945585 
0.000000       0.000000 
1 1 1 5   0  11 o 144.9857 8.688813 216.5260       25.40684  216.5260       
25.40684  216.5260       25.40684  144.9857 8.688813 144.9857 8.688813 
0.000000       0.000000 
1 1 1 5   0  12 o 129.5297 9.416059 173.9374       24.50099  173.9374       
24.50099  173.9374       24.50099  129.5297 9.416059 129.5297 9.416059 
0.000000       0.000000 
1 1 1 5   0  13 o 204.3330 7.520426 427.6566       31.15268  427.6566       
31.15268  427.6566       31.15268  204.3330 7.520426 204.3330 7.520426 
0.000000       0.000000 
1 1 1 5   0  14 o 216.7409 7.296862 481.1570       32.07831  481.1570       
32.07831  481.1570       32.07831  216.7409 7.296862 216.7409 7.296862 
0.000000       0.000000 
1 1 1 5   0  15 o 320.5704 10.52441 1059.032       68.44015  1059.032       
68.44015  1059.032       68.44015  320.5704 10.52441 320.5704 10.52441 
0.000000       0.000000 
1 1 1 5   0  16 o 32.65732 20.91873 3.952711       31.32533  3.952711       
31.32533  3.952711       31.32533  32.65732 20.91873 32.65732 20.91873 
0.000000       0.000000 
1 1 1 5   0  17 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   0  18 o 65.15348 24.03194 61.55466       29.48913  61.55466       
29.48913  61.55466       29.48913  65.15348 24.03194 65.15348 24.03194 
0.000000       0.000000 
1 1 1 5   0  19 o 82.33595 20.06190 85.44006       29.10308  85.44006       
29.10308  85.44006       29.10308  82.33595 20.06190 82.33595 20.06190 
0.000000       0.000000 
1 1 1 5   0  20 o 80.93446 30.71394 112.9757       47.47876  112.9757       
47.47876  112.9757       47.47876  80.93446 30.71394 80.93446 30.71394 
0.000000       0.000000 
1 1 1 5   0  21 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   1  0  o 367.5601 3.883507 1374.249       29.02711  1409.731       
41.73441  1341.001       40.39921  372.1935 5.514093 363.0096 5.472722 
9.183929       7.768907 
1 1 1 5   1  1  o 196.4586 3.692151 392.6115       14.75033  399.1744       
18.22557  380.1514       25.11264  198.0710 4.524899 193.2275 6.391049 
4.843491       7.830723 
1 1 1 5   1  2  o 390.2965 8.143106 1552.672       64.63031  0.000000       
0.000000  1552.672       64.63031  ?        ?        390.2965 8.143106 
0.000000       8.143106 
1 1 1 5   1  3  o 239.4973 4.102495 583.5444       19.98022  556.9393       
24.12148  641.6980       35.66233  233.9383 5.070505 251.0097 6.986630 
-17.07138      8.632672 
1 1 1 5   1  4  o 334.8456 3.959161 1140.528       26.95871  1123.988       
37.95185  1157.373       38.30131  332.3332 5.615750 337.2343 5.585093 
-4.901154      7.920222 
1 1 1 5   1  5  o 308.0148 3.941951 964.9846       24.69075  943.0490       
34.62574  987.6767       35.21777  304.4385 5.593042 311.5601 5.558640 
-7.121552      7.885467 
1 1 1 5   1  6  o 249.6239 4.030071 633.7600       20.45739  655.7716       
29.05541  612.1211       28.80841  253.8855 5.627789 245.2863 5.775565 
8.599121       8.064066 
1 1 1 5   1  7  o 624.0646 5.836736 3962.203       74.07149  4031.382       
106.2838  3896.871       103.2863  629.2990 8.305361 618.7198 8.209134 
10.57916       11.67771 
1 1 1 5   1  8  o 241.0538 4.493178 591.0424       22.02516  569.8880       
30.90351  612.8804       31.39894  236.6525 6.421631 245.4207 6.291474 
-8.768173      8.989994 
1 1 1 5   1  9  o 390.1815 6.853812 1549.735       54.38139  1744.612       
81.04537  1390.135       73.34385  413.7544 9.632393 369.3244 9.765720 
44.43002       13.71686 
1 1 1 5   1  10 o 129.8672 7.506581 172.3749       19.73955  179.7174       
25.16661  160.6356       31.82193  132.4232 9.406841 124.7201 12.72522 
7.703156       15.82466 
1 1 1 5   1  11 o 208.9987 5.098699 444.6651       21.66977  442.7519       
30.47750  446.6211       30.81668  208.4242 7.190842 209.3296 7.239422 
-0.9053192     10.20380 
1 1 1 5   1  12 o 149.8126 6.042779 228.7211       18.40927  236.4568       
25.96272  220.8992       26.10717  151.9299 8.436605 146.7838 8.786809 
5.146072       12.18131 
1 1 1 5   1  13 o 253.3448 4.873737 653.8185       25.10877  629.8298       
35.04332  679.1265       35.99410  248.4159 6.937043 257.9651 6.861500 
-9.549149      9.757190 
1 1 1 5   1  14 f 165.0156 5.858325 277.7573       19.65848  297.9443       
27.41090  256.3778       28.20886  170.6837 7.897324 157.9773 8.816069 
12.70638       11.83600 
1 1 1 5   1  15 o 130.9115 11.06279 177.8003       29.17484  142.7422       
40.10048  217.2259       42.52509  115.3372 17.65954 143.7549 14.75622 
-28.41763      23.01316 
1 1 1 5   1  16 o 200.2851 7.570907 410.8604       30.83528  446.3567       
44.94119  379.2854       42.38622  207.7503 10.67384 191.3818 10.93650 
16.36852       15.28195 
1 1 1 5   1  17 o 51.59480 16.45447 27.75646       19.46632  67.92634       
28.91164  -5.555793      26.32840  78.38881 18.44474 38.88712 17.12860 
39.50169       25.17136 
1 1 1 5   1  18 o 210.4697 6.318645 453.4387       27.04363  543.4945       
39.64875  375.0924       36.98137  229.8071 8.484273 190.3690 9.583585 
39.43806       12.79953 
1 1 1 5   1  19 o 93.54243 11.20973 92.68984       20.89861  116.7800       
29.91491  69.72482       29.20796  103.8347 14.56844 78.35726 18.60743 
25.47747       23.63210 
1 1 1 5   1  20 o 63.88138 21.46206 47.54769       32.92621  36.69587       
47.34501  57.71246       45.82173  61.96252 24.79260 69.65061 25.18819 
-7.688091      35.34286 
1 1 1 5   1  21 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   2  0  o 168.6912 3.097709 289.4199       10.62636  311.5728       
15.31321  268.8441       14.75805  175.0054 4.302920 162.5597 4.464415 
12.44566       6.200494 
1 1 1 5   2  1  o 592.0420 6.211185 3568.604       74.77879  3718.290       
94.80711  3322.169       121.6472  604.1149 7.717381 570.5402 10.48491 
33.57477       13.01888 
1 1 1 5   2  2  o 308.5339 4.241023 968.5411       26.60878  917.6895       
31.81297  1086.961       48.54733  300.2740 5.209967 326.6365 7.308852 
-26.36249      8.975694 
1 1 1 5   2  3  o 347.3947 4.562506 1227.939       32.23131  1199.217       
39.07605  1289.072       57.00896  343.2460 5.598268 355.6863 7.881784 
-12.44025      9.667633 
1 1 1 5   2  4  o 350.7071 4.661495 1251.352       33.24461  1279.415       
58.69439  1238.097       40.33908  354.3927 8.144424 348.7919 5.687326 
5.600739       9.933646 
1 1 1 5   2  5  f 598.8776 5.567529 3649.274       67.80348  3799.388       
99.12223  3517.266       92.95211  610.8422 7.979775 587.7473 7.777091 
23.09485       11.14271 
1 1 1 5   2  6  o 72.83688 7.523073 54.57351       10.98238  66.12958       
15.60075  43.22056       15.46303  79.98071 9.796823 64.03596 12.32191 
15.94475       15.74189 
1 1 1 5   2  7  o 671.7936 6.171009 4591.770       84.30309  4793.036       
123.5382  4416.361       115.3298  686.1188 8.854221 658.6312 8.610885 
27.48767       12.35089 
1 1 1 5   2  8  o 119.3650 6.333959 145.3900       15.31958  164.6994       
21.95003  127.0515       21.39109  126.8953 8.556204 111.2779 9.545468 
15.61741       12.81892 
1 1 1 5   2  9  o 448.4317 5.839032 2046.358       53.24620  2064.636       
65.13155  2009.525       92.45683  450.3379 7.112160 443.9880 10.24039 
6.349854       12.46789 
1 1 1 5   2  10 f 82.24747 11.34832 70.36636       18.47486  73.35892       
23.46774  65.48885       29.96049  83.49866 14.33751 78.24213 19.01628 
5.256538       23.81560 
1 1 1 5   2  11 o 233.3708 4.986880 554.3959       23.66611  558.1602       
33.66814  550.7194       33.27320  234.0238 7.074693 232.4615 7.038695 
1.562332       9.979705 
1 1 1 5   2  12 o 194.3807 5.207515 384.8279       20.58426  371.0741       
28.69797  399.4020       29.54142  190.7104 7.399890 197.8613 7.342081 
-7.150864      10.42423 
1 1 1 5   2  13 o 265.5187 4.809355 718.1356       25.96770  708.2468       
36.30744  728.4913       37.15496  263.4470 6.777209 267.1768 6.838589 
-3.729828      9.627921 
1 1 1 5   2  14 o 207.6646 5.279775 439.6265       22.29612  431.5083       
31.55816  447.7173       31.50486  205.4573 7.553337 209.3027 7.402039 
-3.845444      10.57559 
1 1 1 5   2  15 o 139.8987 8.267170 201.1839       23.41471  202.4309       
28.02159  198.2985       42.62295  140.0043 9.906334 137.0201 15.57373 
2.984161       18.45742 
1 1 1 5   2  16 o 86.68170 11.81429 79.11411       20.28263  77.24591       
25.64969  82.23170       33.13440  84.65700 15.46942 86.30888 19.35604 
-1.651878      24.77820 
1 1 1 5   2  17 o 114.6721 8.847014 135.9676       20.47086  203.0938       
29.43169  73.06138       28.49154  139.8835 10.42135 81.52631 17.69369 
58.35714       20.53463 
1 1 1 5   2  18 o 133.7892 8.256809 184.7765       22.35410  136.5645       
30.76638  238.6894       32.53463  113.3905 13.61505 151.4197 10.63345 
-38.02919      17.27541 
1 1 1 5   2  19 o 89.17926 11.74049 84.69258       20.77373  88.20614       
30.29555  81.57444       28.53997  88.83795 17.39235 85.51234 17.01104 
3.325607       24.32836 
1 1 1 5   2  20 o 141.5057 12.72668 216.0428       36.23013  347.9689       
55.98321  120.9732       47.52404  177.3164 15.68783 98.39575 23.97200 
78.92061       28.64899 
1 1 1 5   2  21 o 97.45040 11.33436 103.4607       22.04158  104.1640       
28.73353  102.4550       34.35815  95.28331 15.35082 91.78826 19.03193 
3.495049       24.45122 
1 1 1 5   3  0  o 631.9364 6.516834 4065.594       83.74550  3971.749       
100.5775  4277.731       151.2184  624.4099 7.920994 647.3419 11.48734 
-22.93201      13.95354 
1 1 1 5   3  1  o 345.3516 4.383126 1213.486       30.78200  1268.559       
54.89441  1188.226       37.17698  352.8602 7.650223 341.6824 5.350570 
11.17780       9.335658 
1 1 1 5   3  2  f 168.9280 6.575195 290.6197       22.58716  0.000000       
0.000000  290.6197       22.58716  ?        ?        168.9280 6.575195 
0.000000       6.575195 
1 1 1 5   3  3  o 240.6662 4.100698 589.2495       20.06894  605.0641       
24.96764  560.3785       33.73485  243.8392 5.035268 234.5645 7.072373 
9.274704       8.681727 
1 1 1 5   3  4  o 323.7813 4.531200 1066.537       29.83434  1156.288       
54.03916  1027.188       35.78176  336.9318 7.887061 317.7068 5.538393 
19.22495       9.637402 
1 1 1 5   3  5  o 331.2274 4.023967 1115.922       27.10392  1095.595       
37.80623  1137.416       38.87769  328.1377 5.665729 334.3396 5.718225 
-6.201874      8.049757 
1 1 1 5   3  6  o 347.1799 4.232798 1225.954       29.88365  1283.262       
43.20547  1173.393       41.37748  355.1432 5.982514 339.5996 5.991637 
15.54364       8.467006 
1 1 1 5   3  7  o 525.1198 5.217631 2805.074       55.71641  2875.031       
80.16926  2739.717       77.48888  531.4988 7.417442 518.8453 7.344294 
12.65344       10.43825 
1 1 1 5   3  8  o 488.3695 5.103580 2426.281       50.68447  2448.169       
72.09801  2404.896       71.26655  490.4409 7.229115 486.0885 7.209730 
4.352417       10.20981 
1 1 1 5   3  9  o 438.0616 5.794555 1952.802       51.61865  1933.849       
62.25570  1994.494       92.33412  435.8442 7.024192 442.3142 10.26550 
-6.470032      12.43864 
1 1 1 5   3  10 o 446.9579 5.809938 2033.543       52.80677  2090.752       
66.35298  1934.710       87.21203  453.0620 7.201972 435.4937 9.847888 
17.56830       12.20038 
1 1 1 5   3  11 o 285.2130 4.728359 827.9815       27.42403  800.4396       
38.63778  855.9427       38.93075  280.2726 6.779225 289.8429 6.605090 
-9.570282      9.464941 
1 1 1 5   3  12 o 448.9446 5.112694 2052.707       46.67604  2129.850       
67.91235  1983.640       64.25885  456.9081 7.309177 440.9753 7.165842 
15.93280       10.23589 
1 1 1 5   3  13 o 208.4451 5.085539 442.6912       21.55659  450.8325       
30.60141  434.6720       30.37114  210.1403 7.161117 206.3304 7.238464 
3.809860       10.18219 
1 1 1 5   3  14 o 40.59577 14.56367 14.58556       15.28302  -8.483366      
20.97779  40.67907       22.31065  33.53023 14.99704 61.49197 17.17933 
-27.96174      22.80440 
1 1 1 5   3  15 o 224.8398 6.172636 516.1845       28.22249  526.4380       
33.47958  491.0069       52.46298  226.8791 7.256614 217.7358 11.89374 
9.143341       13.93268 
1 1 1 5   3  16 o 192.8073 6.631768 380.1285       26.00185  372.1158       
32.80391  393.6719       42.64809  190.4246 8.471319 195.0197 10.79605 
-4.595108      13.72289 
1 1 1 5   3  17 o 72.28134 13.48864 56.13620       19.09724  49.79722       
26.94101  62.53822       27.07463  67.27032 18.90791 75.28252 17.94016 
-8.012199      26.06451 
1 1 1 5   3  18 o 208.3387 6.257312 444.2845       26.50997  449.5844       
37.19486  438.8126       37.79384  208.9130 8.755199 206.3168 9.008135 
2.596146       12.56185 
1 1 1 5   3  19 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   3  20 o 109.2020 14.69844 131.8567       31.81121  153.5277       
45.56091  111.2426       44.43586  114.0467 20.39388 94.69674 23.24694 
19.34992       30.92460 
1 1 1 5   3  21 o 114.7910 9.381653 140.3457       21.70830  147.2489       
27.14173  128.0893       36.16544  116.2127 11.64160 103.9216 17.75081 
12.29103       21.22777 
1 1 1 5   4  0  o 208.8486 3.634297 443.6754       15.43488  431.3405       
18.84802  468.7890       26.89387  205.9020 4.501464 214.5942 6.162881 
-8.692154      7.631794 
1 1 1 5   4  1  o 247.0574 3.343636 620.8548       16.79841  633.1800       
33.96975  616.8651       19.32693  249.3480 6.699388 246.2460 3.859599 
3.102005       7.731643 
1 1 1 5   4  2  f 234.8130 3.932943 560.9410       18.77981  626.7272       
34.12478  532.3613       22.49217  248.0600 6.764905 228.7191 4.835903 
19.34090       8.315642 
1 1 1 5   4  3  o 186.4606 3.531916 353.6525       13.39211  356.7439       
15.65146  345.2033       25.87538  187.2600 4.110157 184.1113 6.911224 
3.148727       8.041046 
1 1 1 5   4  4  o 178.0073 4.326246 322.3457       15.66032  306.8745       
26.88069  330.2947       19.26786  173.5889 7.614952 180.1665 5.259058 
-6.577667      9.254468 
1 1 1 5   4  5  o 299.8289 3.926378 914.3633       23.93961  855.9454       
32.62063  982.5499       35.24264  290.0436 5.530669 310.7528 5.577017 
-20.70920      7.854389 
1 1 1 5   4  6  o 430.6809 4.647470 1886.711       40.70274  1890.035       
57.50209  1883.373       57.62285  430.9752 6.561150 430.2137 6.586566 
0.7614746      9.296857 
1 1 1 5   4  7  o 566.5553 5.475232 3265.388       63.08066  3221.365       
88.02439  3311.863       90.44384  562.5791 7.694281 570.4186 7.797114 
-7.839478      10.95431 
1 1 1 5   4  8  o 976.9055 8.411292 9717.201       167.0963  9458.021       
230.2506  10005.58       242.8740  963.1401 11.75601 990.5568 12.05731 
-27.41675      16.83990 
1 1 1 5   4  9  o 423.5221 5.705998 1825.308       49.14271  1806.287       
59.18984  1867.510       88.16695  421.2278 6.910011 428.0063 10.12988 
-6.778503      12.26225 
1 1 1 5   4  10 o 306.9464 9.064523 960.6901       56.57948  0.000000       
0.000000  960.6901       56.57948  ?        ?        306.9464 9.064523 
0.000000       9.064523 
1 1 1 5   4  11 o 68.76956 12.02014 49.80877       16.19763  62.09582       
23.52216  38.72816       22.33753  76.33555 15.67776 60.54112 17.28735 
15.79443       23.33762 
1 1 1 5   4  12 o 60.34571 13.02152 38.84580       15.51050  22.04505       
21.82993  55.97445       22.04192  49.26978 17.43427 72.30585 15.45911 
-23.03608      23.30103 
1 1 1 5   4  13 o 292.4114 4.780278 870.9869       28.42490  890.4987       
40.83100  852.6385       39.59523  295.3904 6.797392 289.0524 6.736197 
6.337952       9.569791 
1 1 1 5   4  14 o 253.6044 4.898995 655.4377       25.26476  637.5760       
35.19381  674.4304       36.29098  249.8389 6.927153 256.9553 6.945280 
-7.116318      9.809299 
1 1 1 5   4  15 o 98.98035 10.50396 101.9358       20.81927  104.2162       
24.62504  96.22074       38.98355  99.65212 12.42143 93.28503 21.05036 
6.367088       24.44196 
1 1 1 5   4  16 o 110.9337 9.556120 127.5163       21.34705  152.8803       
27.99143  92.25867       33.00218  121.0627 11.50851 91.81248 18.31829 
29.25022       21.63343 
1 1 1 5   4  17 o 216.9373 6.038707 481.0284       26.63972  566.3981       
39.05681  406.7605       36.42884  234.8897 8.176763 198.8515 9.008759 
36.03818       12.16623 
1 1 1 5   4  18 o 131.0454 8.416864 177.4487       22.31106  195.9364       
32.38674  160.7502       30.77977  136.7218 11.76325 123.5272 12.42165 
13.19462       17.10764 
1 1 1 5   4  19 o 189.1694 6.504095 367.4567       25.02011  415.5897       
36.48001  324.7039       34.38079  200.2991 8.956214 176.5578 9.612060 
23.74133       13.13794 
1 1 1 5   4  20 o 166.5571 7.904735 288.1116       26.77331  372.1920       
50.81607  255.8035       31.49994  185.1429 13.59217 155.6758 10.00328 
29.46709       16.87640 
1 1 1 5   4  21 o 138.4799 8.247316 201.9521       23.11954  207.6776       
28.10282  189.9627       40.66695  139.3318 9.984744 128.5323 15.89788 
10.79956       18.77332 
1 1 1 5   5  0  o 320.3151 4.160964 1043.813       27.10334  1091.667       
34.22897  963.3770       44.37722  327.5265 5.139206 307.5597 7.095440 
19.96680       8.761091 
1 1 1 5   5  1  o 195.6722 3.721186 389.4932       14.80682  396.1426       
25.97979  386.2942       18.01999  197.2338 6.477431 194.8425 4.547987 
2.391281       7.914626 
1 1 1 5   5  2  o 215.7733 4.666040 473.7739       20.47376  0.000000       
0.000000  473.7739       20.47376  ?        ?        215.7733 4.666040 
0.000000       4.666040 
1 1 1 5   5  3  o 330.8357 3.847811 1113.412       25.88675  1157.170       
30.61227  1003.582       48.49845  337.2459 4.463725 313.8752 7.598351 
23.37070       8.812479 
1 1 1 5   5  4  o 299.8383 4.370557 914.5743       26.64865  869.6776       
31.96343  1016.926       48.26058  292.3475 5.376537 316.0124 7.509950 
-23.66492      9.236152 
1 1 1 5   5  5  o 273.7009 3.888246 761.9359       21.64120  755.1420       
30.20962  769.0977       31.01691  272.4342 5.452960 274.9369 5.547715 
-2.502716      7.778940 
1 1 1 5   5  6  o 138.8066 4.814312 195.9861       13.58926  196.2004       
19.14346  195.7684       19.29365  138.8536 6.779722 138.6996 6.840498 
0.1539917      9.631045 
1 1 1 5   5  7  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   5  8  o 570.8934 5.602502 3315.969       65.04119  3281.545       
91.32928  3351.395       92.64919  567.7414 7.910575 573.7492 7.940870 
-6.007813      11.20868 
1 1 1 5   5  9  o 90.57733 9.026107 84.42184       16.40395  85.61487       
23.24996  83.23928       23.14775  90.65401 12.98270 89.33858 13.13342 
1.315422       18.46719 
1 1 1 5   5  10 o 427.1007 5.713357 1856.894       49.62187  1912.169       
62.53473  1762.915       81.54000  433.2742 7.097526 415.7057 9.645690 
17.56851       11.97557 
1 1 1 5   5  11 o 311.8950 4.821398 990.2343       30.57967  1013.993       
43.68618  967.4089       42.81922  315.4340 6.810581 308.1006 6.834312 
7.333405       9.648411 
1 1 1 5   5  12 o 266.7437 4.789429 724.5419       25.97941  682.9255       
35.66835  771.5670       37.91538  258.7746 6.778131 275.0564 6.778635 
-16.28177      9.586082 
1 1 1 5   5  13 o 193.1756 5.248550 380.2832       20.61784  393.5016       
29.60691  367.8372       28.72895  196.2835 7.417506 189.7716 7.444528 
6.511917       10.50906 
1 1 1 5   5  14 o 135.8717 6.443931 188.4626       17.80457  195.3067       
25.38555  181.8362       24.97831  137.7469 9.114116 132.8562 9.304210 
4.890717       13.02442 
1 1 1 5   5  15 o 197.9765 6.453234 400.4079       25.98020  392.5961       
30.76072  419.8467       48.52361  195.8359 7.724186 201.2511 11.90969 
-5.415115      14.19520 
1 1 1 5   5  16 o 215.3793 6.397130 474.2040       28.01822  520.0063       
35.25860  395.7233       46.15330  225.2708 7.696774 195.2030 11.68057 
30.06783       13.98842 
1 1 1 5   5  17 o 130.7911 8.284651 176.3538       21.92071  172.4173       
30.74726  180.4227       31.26024  128.3823 11.91317 131.3765 11.82781 
-2.994232      16.78751 
1 1 1 5   5  18 o 163.0193 7.118239 272.6155       23.59735  283.8903       
33.93016  262.0536       32.83991  165.3132 10.14216 158.7768 10.22538 
6.536392       14.40214 
1 1 1 5   5  19 o 173.7577 6.806623 310.3717       24.05066  308.4392       
35.19527  312.0647       32.94198  171.8083 10.11836 173.1403 9.391341 
-1.331970      13.80502 
1 1 1 5   5  20 o 94.97746 10.21439 96.02167       19.41795  138.5814       
28.94814  61.20694       26.18200  112.9450 12.83157 72.33507 17.89717 
40.60992       22.02176 
1 1 1 5   5  21 o 45.98700 16.48128 22.61961       19.56800  48.52604       
24.06801  -27.89803      33.60917  63.19885 17.90924 36.07897 17.10210 
27.11988       24.76334 
1 1 1 5   6  0  o 313.8947 3.587735 1002.263       22.90107  940.3369       
31.23337  1074.266       33.67870  303.9766 5.052743 324.9009 5.097450 
-20.92429      7.177340 
1 1 1 5   6  1  o 33.87292 7.879786 12.16396       5.325452  19.25438       
11.29301  10.13629       6.039103  42.90829 12.30457 31.20527 9.012461 
11.70302       15.25211 
1 1 1 5   6  2  o 498.0130 6.746141 2526.026       68.31995  0.000000       
0.000000  2526.026       68.31995  ?        ?        498.0130 6.746141 
0.000000       6.746141 
1 1 1 5   6  3  o 115.8758 4.695240 136.6196       11.06374  146.1608       
13.95175  120.4539       18.16043  119.8331 5.725329 108.4074 8.300961 
11.42568       10.08392 
1 1 1 5   6  4  o 238.0067 7.171634 576.7527       34.71033  0.000000       
0.000000  576.7527       34.71033  ?        ?        238.0067 7.171634 
0.000000       7.171634 
1 1 1 5   6  5  f 249.6294 3.862333 633.8001       19.60636  645.7717       
27.78288  621.9234       27.67261  251.9367 5.422935 247.2386 5.504051 
4.698120       7.726758 
1 1 1 5   6  6  o 282.5286 4.078949 811.8533       23.43485  789.0231       
32.78685  835.6999       33.50871  278.4851 5.789570 286.6052 5.749395 
-8.120117      8.159329 
1 1 1 5   6  7  o 339.2891 4.330808 1170.867       29.88066  1179.385       
42.15124  1162.263       42.36485  340.4651 6.088164 337.9818 6.163976 
2.483337       8.663737 
1 1 1 5   6  8  o 110.0507 7.908508 123.9391       17.58058  104.8392       
29.77869  134.1580       21.78162  100.2044 15.08133 114.3717 9.449908 
-14.16727      17.79740 
1 1 1 5   6  9  o 198.4793 5.191603 400.8373       20.95406  411.6313       
29.58126  389.9668       29.68604  201.0650 7.234837 195.6936 7.459748 
5.371338       10.39186 
1 1 1 5   6  10 o 239.5560 5.463575 584.1341       26.61554  604.7928       
33.37875  548.0670       44.10359  243.6857 6.735791 231.7967 9.356541 
11.88907       11.52891 
1 1 1 5   6  11 o 448.9981 5.860819 2053.384       53.51238  2026.208       
91.26713  2067.621       66.05859  445.2558 10.07983 450.3495 7.213204 
-5.093658      12.39489 
1 1 1 5   6  12 f 245.8292 4.880131 615.4359       24.39587  612.2474       
34.14756  618.7599       34.86558  245.0013 6.853935 246.2886 6.961474 
-1.287338      9.769265 
1 1 1 5   6  13 o 167.1406 5.634804 284.7983       19.15192  280.1056       
26.95369  289.5836       27.21805  165.5346 8.007153 168.3180 7.951974 
-2.783463      11.28487 
1 1 1 5   6  14 o 67.89222 12.04373 48.89572       16.01882  25.22849       
22.27041  74.26691       23.05818  51.18569 17.64332 83.57846 14.06643 
-32.39277      22.56438 
1 1 1 5   6  15 o 170.9985 7.197042 299.0884       25.02636  287.8578       
29.58854  327.3187       46.91154  167.3018 8.727284 177.2126 13.11074 
-9.910812      15.74982 
1 1 1 5   6  16 o 211.2330 5.822851 455.7299       25.01203  444.0921       
34.35702  468.8528       36.48336  208.0759 8.119740 213.7339 8.394021 
-5.657959      11.67860 
1 1 1 5   6  17 o 194.5501 6.401560 387.1742       25.32612  414.3292       
35.67826  359.5941       35.95646  200.7355 8.740332 186.5844 9.508071 
14.15112       12.91498 
1 1 1 5   6  18 o 88.53865 11.94735 83.08997       20.96147  92.65646       
30.68536  74.72021       28.70193  91.82867 17.06044 82.03896 17.72228 
9.789711       24.59955 
1 1 1 5   6  19 o 201.5367 7.611918 418.8173       31.19606  477.7580       
37.96179  296.2261       54.74801  214.7974 8.690928 164.5930 16.58298 
50.20442       18.72237 
1 1 1 5   6  20 o 78.06084 15.30523 68.94162       23.42707  71.02389       
28.13169  64.23026       42.31561  77.82483 18.11502 71.85811 24.32956 
5.966721       30.33285 
1 1 1 5   6  21 o 106.3631 9.918329 121.4817       21.20521  106.0626       
25.67078  154.6040       37.62428  97.30623 13.32312 115.0856 16.55299 
-17.77939      21.24870 
1 1 1 5   7  0  o 462.4529 4.475048 2176.059       42.08396  2085.802       
57.68811  2278.735       61.52879  452.6033 6.267830 473.0591 6.396046 
-20.45575      8.955172 
1 1 1 5   7  1  o 208.1541 3.235389 440.7224       13.69503  458.5970       
28.63478  435.4212       15.59416  212.1972 6.635944 206.8855 3.706640 
5.311722       7.600982 
1 1 1 5   7  2  o 280.7046 4.098135 801.6547       23.39307  748.9197       
39.04265  831.1898       29.21855  271.1495 7.080747 285.7844 5.027691 
-14.63492      8.684161 
1 1 1 5   7  3  o 72.33421 6.470952 53.69417       9.417845  53.69417       
9.417845  0.000000       0.000000  72.33421 6.470952 ?        ?        
0.000000       6.470952 
1 1 1 5   7  4  o 285.7764 3.772092 830.6786       21.92098  822.2313       
25.35477  855.6838       43.62282  284.3013 4.385604 289.8948 7.399834 
-5.593445      8.601806 
1 1 1 5   7  5  o 274.1649 3.917971 764.5142       21.84362  772.6100       
31.00774  756.5386       30.77664  275.5685 5.533362 272.6868 5.550163 
2.881744       7.837245 
1 1 1 5   7  6  o 492.3022 4.979425 2465.358       49.84967  2368.961       
68.24673  2575.614       72.98804  482.4785 6.955886 503.0712 7.134619 
-20.59271      9.964293 
1 1 1 5   7  7  o 709.9855 6.442066 5129.202       93.00922  5216.833       
133.3557  5046.198       129.7867  715.7472 9.162215 703.9556 9.066374 
11.79163       12.88974 
1 1 1 5   7  8  o 498.6529 5.985933 2530.206       60.69902  2628.864       
106.6654  2482.958       73.81651  507.8916 10.32764 493.8777 7.349921 
14.01395       12.67602 
1 1 1 5   7  9  o 252.8017 6.842400 650.6555       35.17547  0.000000       
0.000000  650.6555       35.17547  ?        ?        252.8017 6.842400 
0.000000       6.842400 
1 1 1 5   7  10 o 253.4983 4.810869 653.9673       24.79991  659.2242       
34.71674  648.4895       35.43914  254.4087 6.710511 252.3159 6.906962 
2.092758       9.630009 
1 1 1 5   7  11 o 163.2425 6.631108 271.5776       22.01258  255.7102       
35.73593  281.2793       27.94316  157.6725 11.21864 166.0256 8.276541 
-8.353134      13.94127 
1 1 1 5   7  12 o 90.64310 8.890926 84.78840       16.17731  90.90346       
23.05682  78.85927       22.70361  93.25505 12.47072 86.57005 13.32389 
6.685005       18.24952 
1 1 1 5   7  13 o 307.9371 4.765723 966.0233       29.84298  1016.507       
42.99454  919.0880       41.45619  315.5825 6.699601 300.0632 6.793995 
15.51926       9.541647 
1 1 1 5   7  14 o 110.0654 7.881539 124.5659       17.52384  115.4415       
24.91550  133.4981       24.65152  105.1771 11.85606 113.4230 10.81905 
-8.245857      16.05048 
1 1 1 5   7  15 f 189.5965 5.832732 366.9604       22.48815  416.4390       
31.55928  315.9229       32.05256  201.6765 7.695206 175.2054 9.026974 
26.47110       11.86181 
1 1 1 5   7  16 o 90.03467 10.64851 84.79510       19.11861  93.90340       
26.29455  74.57890       27.84787  93.85400 14.22289 82.61649 17.13764 
11.23750       22.27082 
1 1 1 5   7  17 o 63.91975 17.67035 44.86118       23.73629  57.52273       
27.29340  5.561270       48.08505  72.04162 18.52626 55.69164 23.83868 
16.34998       30.19114 
1 1 1 5   7  18 o 125.1473 9.046118 162.4309       22.86653  177.8987       
32.07175  146.4383       32.61132  129.9615 12.28102 117.2011 13.95763 
12.76035       18.59137 
1 1 1 5   7  19 o 50.92782 16.33858 27.90877       19.17133  63.97919       
28.35738  -2.456039      26.01811  74.73772 18.70331 39.10548 17.13083 
35.63224       25.36295 
1 1 1 5   7  20 o 88.30012 10.87667 83.77625       19.11742  82.49649       
27.74042  84.93381       26.38286  84.72610 16.69444 86.63672 15.54630 
-1.910622      22.81210 
1 1 1 5   8  0  o 409.0601 4.133976 1702.458       34.38797  1684.565       
48.32393  1720.814       48.94589  406.7739 5.841949 411.1259 5.854502 
-4.352081      8.270645 
1 1 1 5   8  1  o 88.51015 3.968362 79.70229       7.142591  121.1575       
17.12700  70.97446       7.858592  108.7555 7.795955 83.38432 4.653119 
25.37120       9.079010 
1 1 1 5   8  2  o 195.3222 4.704466 388.2073       18.68587  0.000000       
0.000000  388.2073       18.68587  ?        ?        195.3222 4.704466 
0.000000       4.704466 
1 1 1 5   8  3  o 323.4527 4.452279 1064.398       29.28496  1064.398       
29.28496  0.000000       0.000000  323.4527 4.452279 ?        ?        
0.000000       4.452279 
1 1 1 5   8  4  o 90.67297 5.796355 84.00545       10.63179  94.12281       
13.53420  67.70055       17.18137  95.90116 6.988046 80.78106 10.72424 
15.12010       12.80008 
1 1 1 5   8  5  o 244.6656 3.902570 608.8396       19.41669  634.2809       
27.66120  584.1277       27.26184  249.6882 5.447804 239.6095 5.594996 
10.07877       7.809133 
1 1 1 5   8  6  o 254.5066 4.096777 658.7966       21.20279  656.7516       
29.36785  661.0230       30.64334  254.0757 5.684046 254.8945 5.911862 
-0.8188019     8.201127 
1 1 1 5   8  7  o 419.6443 4.686734 1791.276       39.99475  1842.799       
57.37781  1742.584       55.77835  425.5492 6.630446 413.8165 6.628366 
11.73273       9.375397 
1 1 1 5   8  8  o 340.6281 5.281344 1180.472       36.58276  1212.862       
61.51932  1162.752       45.50201  345.0793 8.766802 338.0012 6.620044 
7.078094       10.98553 
1 1 1 5   8  9  o 301.0900 4.647701 922.3334       28.45679  917.4814       
39.57632  927.5273       40.94661  300.2075 6.482796 301.8357 6.671077 
-1.628174      9.302146 
1 1 1 5   8  10 o 163.5940 5.819944 272.4856       19.36143  284.2666       
27.57387  261.0283       27.19252  166.9862 8.120180 159.7818 8.398411 
7.204468       11.68206 
1 1 1 5   8  11 o 354.6305 5.510128 1280.841       39.73646  1213.583       
66.22001  1318.687       49.67371  344.6392 9.448723 359.6766 6.791458 
-15.03738      11.63625 
1 1 1 5   8  12 o 230.1011 5.042998 539.3172       23.59712  562.4644       
33.58810  516.7579       33.15876  234.7866 7.034946 225.0209 7.246429 
9.765686       10.09956 
1 1 1 5   8  13 o 128.9098 6.751471 170.0974       17.63692  181.0903       
24.84981  158.9392       25.03597  132.6404 9.271195 124.0920 10.00638 
8.548416       13.64121 
1 1 1 5   8  14 o 30.10863 14.23177 -25.78181      22.96388  -35.97401      
29.59628  -10.36371      36.40147  33.47392 15.91981 44.95143 19.95235 
-11.47750      25.52522 
1 1 1 5   8  15 o 209.5954 6.541657 448.9687       27.88181  465.5187       
33.16582  409.0837       51.48678  213.2230 7.649008 198.2355 12.84115 
14.98750       14.94665 
1 1 1 5   8  16 o 94.67710 10.13636 93.43817       19.21220  103.9857       
27.77201  83.75787       26.60581  98.83342 14.22830 88.16748 15.39986 
10.66594       20.96664 
1 1 1 5   8  17 f 45.63011 16.32304 19.23438       19.18562  68.55328       
27.44040  -27.93178      26.83485  78.84815 17.56393 32.79515 15.46573 
46.05301       23.40257 
1 1 1 5   8  18 o 179.8245 6.760513 331.6165       24.72180  348.9999       
35.63845  315.4930       34.32248  183.4525 9.586370 174.3518 9.719222 
9.100632       13.65144 
1 1 1 5   8  19 o 62.86730 15.36137 44.20451       19.47133  37.29732       
28.12553  50.56202       26.98321  58.60597 19.83513 66.46134 19.00791 
-7.855370      27.47240 
1 1 1 5   8  20 o 157.2404 10.16875 262.1732       32.34082  262.1732       
32.34082  0.000000       0.000000  157.2404 10.16875 ?        ?        
0.000000       10.16875 
1 1 1 5   9  0  o 208.9766 3.722206 444.2736       15.81792  380.3547       
26.89881  478.0611       19.55673  193.2362 6.845313 216.7529 4.436902 
-23.51672      8.157475 
1 1 1 5   9  1  f 282.6559 3.995934 812.8356       22.96824  0.000000       
0.000000  812.8356       22.96824  ?        ?        282.6559 3.995934 
0.000000       3.995934 
1 1 1 5   9  2  o 390.4395 4.105371 1550.878       32.59550  1566.315       
46.45616  1535.910       45.74603  392.2641 5.823892 388.4407 5.791316 
3.823395       8.213224 
1 1 1 5   9  3  f 151.7988 5.350134 234.4886       16.51523  234.4886       
16.51523  0.000000       0.000000  151.7988 5.350134 ?        ?        
0.000000       5.350134 
1 1 1 5   9  4  o 282.2909 4.363176 810.6195       25.04673  828.2772       
31.26348  778.9761       41.85168  285.3140 5.388437 276.6036 7.440526 
8.710449       9.186768 
1 1 1 5   9  5  o 318.2382 4.001937 1030.067       25.89846  1028.697       
30.10614  1033.964       50.79206  318.0085 4.655485 318.6949 7.837353 
-0.6863098     9.115790 
1 1 1 5   9  6  o 410.8578 4.558609 1716.994       38.08688  1796.715       
54.86193  1642.827       52.91669  420.2096 6.420276 401.8088 6.476222 
18.40079       9.119287 
1 1 1 5   9  7  f 352.8071 4.465261 1266.085       32.03580  1300.103       
45.74048  1233.332       44.88263  357.4477 6.292696 348.1458 6.339656 
9.301941       8.932484 
1 1 1 5   9  8  o 264.0655 5.293768 709.4651       28.42681  688.5338       
46.01938  722.3798       36.14788  259.9951 8.704105 266.4065 6.672472 
-6.411346      10.96738 
1 1 1 5   9  9  o 484.7284 5.181788 2390.971       51.07748  2317.134       
70.10674  2474.505       74.56849  477.0004 7.227525 492.9090 7.439387 
-15.90863      10.37216 
1 1 1 5   9  10 o 309.5793 4.758610 975.3886       29.95735  1018.577       
42.40271  932.3495       42.32957  316.2207 6.594044 302.5156 6.880890 
13.70514       9.530375 
1 1 1 5   9  11 o 60.60463 17.72642 38.72889       23.23113  27.82115       
30.42067  53.99014       35.98292  56.54944 20.51203 71.88181 22.29632 
-15.33237      30.29636 
1 1 1 5   9  12 o 138.7003 7.779736 197.0855       21.85432  191.8055       
25.78371  210.5574       41.18541  136.5962 9.338279 142.1161 14.45221 
-5.519852      17.20668 
1 1 1 5   9  13 o 290.9888 4.837533 862.7553       28.62541  894.9942       
41.13599  832.4868       39.85908  296.0663 6.832529 285.5348 6.864625 
10.53156       9.685377 
1 1 1 5   9  14 f 116.3603 8.805945 139.5621       20.68255  135.7720       
36.17581  141.4025       25.20890  112.9544 16.21434 116.7472 10.73871 
-3.792725      19.44800 
1 1 1 5   9  15 o 81.30749 10.78339 69.31654       17.38956  108.8611       
25.24241  33.59739       23.99044  101.7902 12.45457 56.81646 18.28229 
44.97379       22.12145 
1 1 1 5   9  16 f 87.20224 11.12611 79.86216       19.28016  82.14908       
26.44058  77.26546       28.17445  87.25311 15.46812 84.09028 17.05953 
3.162827       23.02803 
1 1 1 5   9  17 o 127.0579 8.466394 166.6922       21.74993  151.9494       
31.40494  180.2816       30.15144  120.0008 13.08143 131.3657 11.39993 
-11.36486      17.35172 
1 1 1 5   9  18 o 211.1634 6.166726 456.7193       26.48041  431.8870       
37.57460  481.2222       37.32456  204.4859 9.036071 216.0449 8.495700 
-11.55907      12.40272 
1 1 1 5   9  19 o 40.84335 16.35283 10.71303       20.61206  48.58662       
35.92847  -7.867678      25.16527  65.67551 22.41744 36.51789 16.37294 
29.15763       27.75995 
1 1 1 5   9  20 o 132.9280 8.781584 185.8123       23.60408  198.5171       
43.66365  180.5665       28.05710  132.0693 16.62649 129.9940 10.70902 
2.075302       19.77684 
1 1 1 5   10 0  o 385.1266 3.998572 1509.041       31.31554  1498.543       
63.80832  1512.372       35.94174  383.4013 8.184125 385.5134 4.584671 
-2.112030      9.380784 
1 1 1 5   10 1  o 176.2491 3.656029 316.0027       13.10352  0.000000       
0.000000  316.0027       13.10352  ?        ?        176.2491 3.656029 
0.000000       3.656029 
1 1 1 5   10 2  o 175.7156 3.380025 314.0543       12.07763  324.3886       
17.34615  304.3301       16.82639  178.5498 4.777407 172.9413 4.784548 
5.608566       6.761325 
1 1 1 5   10 3  o 129.2726 4.636088 170.0179       12.18736  170.0179       
12.18736  0.000000       0.000000  129.2726 4.636088 ?        ?        
0.000000       4.636088 
1 1 1 5   10 4  f 71.62083 6.306354 52.60823       9.091101  51.60999       
10.93106  54.84770       16.37264  70.77728 7.720021 72.45039 11.49685 
-1.673103      13.84833 
1 1 1 5   10 5  o 189.9456 7.645048 367.2631       29.52982  0.000000       
0.000000  367.2631       29.52982  ?        ?        189.9456 7.645048 
0.000000       7.645048 
1 1 1 5   10 6  o 496.7925 5.013876 2510.571       50.65241  2509.800       
71.23949  2511.359       72.03375  496.6038 7.054388 496.7531 7.130895 
-0.1492310     10.03066 
1 1 1 5   10 7  o 752.2207 7.817385 5760.262       119.5799  5749.073       
145.6767  5783.375       209.3735  751.2662 9.535531 752.7825 13.67731 
-1.516296      16.67319 
1 1 1 5   10 8  o 357.2733 5.486333 1298.809       39.85971  1267.185       
46.56676  1385.488       77.09404  352.8445 6.489949 368.6583 10.28360 
-15.81381      12.16026 
1 1 1 5   10 9  o 218.8104 6.982745 487.5727       31.07031  487.5727       
31.07031  0.000000       0.000000  218.8104 6.982745 ?        ?        
0.000000       6.982745 
1 1 1 5   10 10 o 163.1789 5.911819 271.1565       19.61718  303.8018       
27.41294  236.8908       28.08501  172.6234 7.809165 152.0882 9.123026 
20.53514       12.00886 
1 1 1 5   10 11 o 238.7360 5.662844 580.6150       27.49184  619.1545       
47.62599  561.3558       33.66742  246.1032 9.516458 234.6191 7.056591 
11.48409       11.84730 
1 1 1 5   10 12 o 188.0263 5.349631 360.2529       20.45473  362.0377       
29.09476  358.5085       28.76281  188.2825 7.598949 187.3679 7.548918 
0.9145508      10.71122 
1 1 1 5   10 13 o 267.4123 4.861936 728.6761       26.43882  715.4995       
37.09918  742.2744       37.68804  264.6915 6.892439 269.6017 6.874317 
-4.910156      9.734575 
1 1 1 5   10 14 o 111.2566 9.163253 127.8335       20.54694  133.1527       
35.64957  125.1875       25.14320  111.8215 16.14517 109.6170 11.44845 
2.204514       19.79226 
1 1 1 5   10 15 o 168.4492 6.134029 289.8838       21.01195  332.8078       
30.60754  251.6235       28.89695  180.1252 8.356080 156.2308 9.135437 
23.89439       12.38064 
1 1 1 5   10 16 o 221.3886 5.787363 500.7455       26.05478  544.2446       
36.94426  457.7014       36.75056  230.3318 7.887541 211.0595 8.562640 
19.27234       11.64183 
1 1 1 5   10 17 o 71.33146 16.21809 55.89595       22.99282  75.18744       
39.20543  45.78204       28.38721  81.35102 22.78933 64.70642 19.75949 
16.64460       30.16274 
1 1 1 5   10 18 o 98.73971 10.59159 102.4354       20.93480  56.42679       
29.56940  148.6742       29.64327  70.63205 19.79330 118.4873 12.49098 
-47.85526      23.40512 
1 1 1 5   10 19 o 174.1608 6.509788 312.0380       23.05518  338.2894       
34.31321  290.4329       31.12880  179.9751 9.408242 166.8173 9.212048 
13.15778       13.16726 
1 1 1 5   10 20 o 93.48224 10.11404 93.47665       18.92020  86.72301       
28.64186  98.70528       25.20150  86.38538 16.90989 94.34558 13.52240 
-7.960197      21.65178 
1 1 1 5   11 0  o 376.1699 5.577970 1440.501       42.66892  0.000000       
0.000000  1440.501       42.66892  ?        ?        376.1699 5.577970 
0.000000       5.577970 
1 1 1 5   11 1  o 319.6854 3.688443 1039.625       23.97824  1242.367       
55.77229  993.6526       26.55804  349.1716 7.854674 312.5158 4.179002 
36.65582       8.897188 
1 1 1 5   11 2  o 175.2787 3.388349 312.4904       12.07727  332.3694       
17.33795  293.7527       16.83292  180.7372 4.717357 169.9096 4.871806 
10.82764       6.781442 
1 1 1 5   11 3  o 329.5046 4.492753 1104.532       30.10408  1104.532       
30.10408  0.000000       0.000000  329.5046 4.492753 ?        ?        
0.000000       4.492753 
1 1 1 5   11 4  o 513.7957 5.765208 2686.131       60.23610  2686.131       
60.23610  0.000000       0.000000  513.7957 5.765208 ?        ?        
0.000000       5.765208 
1 1 1 5   11 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   11 6  o 372.4008 4.444497 1410.599       33.65771  1463.105       
47.94305  1359.572       47.26263  379.2011 6.217340 365.5323 6.358294 
13.66879       8.892875 
1 1 1 5   11 7  o 353.5209 4.516757 1271.268       32.47083  1213.763       
44.35404  1337.682       47.66599  345.3624 6.315484 362.5566 6.465191 
-17.19421      9.037922 
1 1 1 5   11 8  o 286.6853 4.565068 836.1194       26.61363  848.3531       
37.26612  823.3859       38.01991  288.7018 6.347654 284.4109 6.573752 
4.290863       9.138212 
1 1 1 5   11 9  o 516.9901 6.155588 2721.122       64.71473  2806.517       
81.46498  2575.062       106.5418  524.8571 7.632704 502.3161 10.43017 
22.54099       12.92465 
1 1 1 5   11 10 o 204.5829 5.182924 426.0943       21.56232  465.1729       
30.36831  386.3633       30.62071  213.6488 6.989863 194.6615 7.735419 
18.98737       10.42568 
1 1 1 5   11 11 o 109.1522 9.018229 122.5763       19.83801  84.38289       
33.89987  142.4676       24.46440  88.41463 19.38870 117.5326 10.34115 
-29.11796      21.97410 
1 1 1 5   11 12 o 281.5371 4.772807 807.3815       27.32504  851.7449       
39.57751  766.9724       37.77253  288.9094 6.736518 274.1497 6.775432 
14.75970       9.554431 
1 1 1 5   11 13 o 232.1750 5.058685 549.4324       23.88387  569.7452       
34.59277  530.9291       33.01614  236.1317 7.204098 227.9588 7.122270 
8.172852       10.13044 
1 1 1 5   11 14 o 101.6741 11.96130 108.1763       24.25807  0.000000       
0.000000  108.1763       24.25807  ?        ?        101.6741 11.96130 
0.000000       11.96130 
1 1 1 5   11 15 o 169.1013 7.119781 292.6683       24.48302  346.4901       
43.13821  267.0940       29.73622  182.6326 11.67645 160.9561 9.122557 
21.67651       14.81757 
1 1 1 5   11 16 o 242.8083 5.526902 602.1360       27.28957  582.9572       
38.24751  622.0244       38.94861  238.3575 7.890835 246.2465 7.778045 
-7.889023      11.07986 
1 1 1 5   11 17 o 252.0649 5.761767 649.5574       29.53382  625.4346       
41.55603  674.1767       41.98147  246.6239 8.286047 256.1309 8.060171 
-9.506927      11.55963 
1 1 1 5   11 18 o 101.7245 10.57067 108.7364       21.54719  87.91159       
29.97252  131.0106       30.99802  89.00429 17.18229 110.4546 14.12407 
-21.45029      22.24232 
1 1 1 5   11 19 o 101.9875 10.01841 109.7858       20.50951  85.10071       
29.78572  132.0419       28.28231  86.44953 17.54269 110.7256 12.79645 
-24.27611      21.71394 
1 1 1 5   11 20 o 94.87312 9.936443 96.23729       18.88575  100.1403       
28.48777  93.17693       25.22571  93.72073 15.48865 91.19766 14.05360 
2.523064       20.91415 
1 1 1 5   12 0  o 169.7606 6.817421 293.5227       23.53469  0.000000       
0.000000  293.5227       23.53469  ?        ?        169.7606 6.817421 
0.000000       6.817421 
1 1 1 5   12 1  o 504.2483 9.723857 2593.583       99.70901  2593.583       
99.70901  0.000000       0.000000  504.2483 9.723857 ?        ?        
0.000000       9.723857 
1 1 1 5   12 2  o 281.8305 3.576550 807.9113       20.49763  792.7363       
28.71473  823.6779       29.26929  279.1177 5.059013 284.5128 5.058934 
-5.395020      7.154469 
1 1 1 5   12 3  o 213.5447 4.120287 463.8623       17.89237  464.6720       
22.38798  462.4309       29.76745  213.7047 5.151686 213.1322 6.868173 
0.5725555      8.585550 
1 1 1 5   12 4  o 425.1895 4.465282 1838.966       38.60850  1844.694       
44.99026  1822.962       75.20234  425.8187 5.195679 423.0774 8.740980 
2.741333       10.16857 
1 1 1 5   12 5  o 195.1086 7.496491 387.4742       29.74308  0.000000       
0.000000  387.4742       29.74308  ?        ?        195.1086 7.496491 
0.000000       7.496491 
1 1 1 5   12 6  o 456.0541 4.829044 2115.676       44.78463  2199.813       
64.68162  2038.198       62.06919  464.9289 6.841367 447.5257 6.820351 
17.40320       9.660304 
1 1 1 5   12 7  f 494.9210 5.186773 2492.020       52.20169  2547.228       
74.55120  2438.914       73.11833  500.2250 7.328883 489.4728 7.345922 
10.75223       10.37666 
1 1 1 5   12 8  o 221.5884 4.899577 499.5789       22.07786  479.3952       
30.34728  522.2722       32.17876  216.9960 6.877278 226.4875 6.986725 
-9.491470      9.803637 
1 1 1 5   12 9  o 349.5722 5.362096 1243.801       38.11737  1295.940       
48.33662  1158.056       61.98649  356.7221 6.663384 336.9817 9.045641 
19.74045       11.23496 
1 1 1 5   12 10 o 313.7002 5.579123 1002.130       35.59034  1028.309       
42.86759  944.0539       63.84976  317.6691 6.635944 303.9033 10.33171 
13.76575       12.27925 
1 1 1 5   12 11 o 221.5956 5.834321 500.4014       26.29074  498.6198       
44.80674  501.3368       32.46725  220.7243 9.982559 221.6724 7.202487 
-0.9481354     12.30964 
1 1 1 5   12 12 o 160.7112 6.726204 263.5977       21.98203  267.8041       
37.77779  261.4444       27.02896  160.9886 11.61763 159.6771 8.353087 
1.311493       14.30885 
1 1 1 5   12 13 o 76.83985 10.74979 61.85481       16.33739  36.53071       
23.21199  86.71542       22.99860  58.76503 17.85061 90.76577 12.81690 
-32.00074      21.97537 
1 1 1 5   12 14 o 222.0153 5.973921 503.2326       26.97079  453.2104       
45.77168  529.8389       33.38161  209.4603 10.78251 227.5956 7.212603 
-18.13535      12.97243 
1 1 1 5   12 15 o 181.3219 6.522036 336.1997       24.04832  359.3267       
31.14342  302.0447       37.84729  187.1495 8.183258 170.6471 10.96452 
16.50237       13.68161 
1 1 1 5   12 16 o 191.7069 6.107953 375.7796       23.81140  385.6461       
34.07358  366.3623       33.28893  193.6629 8.652070 188.7538 8.672666 
4.909042       12.25045 
1 1 1 5   12 17 o 121.7162 9.029234 153.5249       22.18931  141.1287       
32.34562  164.5445       30.49679  115.1079 14.11415 125.1094 12.13986 
-10.00155      18.61681 
1 1 1 5   12 18 o 103.9434 10.12057 113.2880       21.12078  105.7243       
29.57980  121.1552       30.16745  98.52605 15.25678 105.9710 14.36972 
-7.444984      20.95848 
1 1 1 5   12 19 o 205.1851 7.042031 434.5462       29.38293  407.9667       
53.87355  445.8005       35.05595  194.4059 13.71543 207.2149 8.319349 
-12.80899      16.04134 
1 1 1 5   12 20 f 85.41058 11.09277 79.27341       18.81162  35.29903       
27.84338  116.2036       25.51602  55.48644 19.68371 102.8430 12.45468 
-47.35657      23.29308 
1 1 1 5   13 0  o 214.0182 3.651238 465.9362       15.89068  0.000000       
0.000000  465.9362       15.89068  ?        ?        214.0182 3.651238 
0.000000       3.651238 
1 1 1 5   13 1  o 194.8331 7.033513 386.5797       27.86675  386.5797       
27.86675  0.000000       0.000000  194.8331 7.033513 ?        ?        
0.000000       7.033513 
1 1 1 5   13 2  o 393.6682 4.134002 1576.495       33.09424  1583.948       
46.90762  1569.108       46.69773  394.5021 5.847129 392.6496 5.848429 
1.852478       8.270009 
1 1 1 5   13 3  o 205.0631 3.613884 427.6966       15.06999  430.3969       
17.83595  420.9586       28.17404  205.6964 4.264010 203.3580 6.812970 
2.338455       8.037310 
1 1 1 5   13 4  o 532.6987 5.900327 2887.358       63.91594  2803.631       
76.87577  3074.817       115.0298  524.8249 7.203169 549.3110 10.29771 
-24.48608      12.56696 
1 1 1 5   13 5  o 233.0765 4.921644 552.6127       23.32707  590.7969       
31.93516  508.9341       34.15558  240.9522 6.517585 223.6065 7.511487 
17.34575       9.944916 
1 1 1 5   13 6  o 490.0146 5.748404 2443.014       57.28062  2333.648       
68.34926  2701.067       104.9900  478.8434 7.019221 514.8981 10.02709 
-36.05478      12.23978 
1 1 1 5   13 7  o 602.1512 6.695492 3690.543       81.98595  3764.273       
142.0975  3653.751       100.3788  607.5124 11.50217 598.9797 8.240974 
8.532715       14.14968 
1 1 1 5   13 8  o 369.2352 5.526585 1387.459       41.49649  1283.122       
69.30732  1445.762       51.80912  354.7569 9.607200 376.8288 6.760996 
-22.07190      11.74774 
1 1 1 5   13 9  o 254.9312 6.497167 661.8918       33.68204  682.6378       
50.90523  645.7367       44.92120  258.6346 9.678864 251.6289 8.778888 
7.005707       13.06711 
1 1 1 5   13 10 o 253.3917 5.833717 654.0240       30.06002  647.8772       
35.35601  670.0563       57.10009  252.1075 6.896458 255.8912 10.97312 
-3.783737      12.96034 
1 1 1 5   13 11 o 175.9559 6.487514 315.7203       23.21313  328.8705       
40.90597  309.4741       28.19213  178.7015 11.31500 174.0776 7.964044 
4.623947       13.83674 
1 1 1 5   13 12 o 78.85016 10.23333 64.82801       16.02167  41.28187       
22.44363  89.29599       22.87875  61.98563 17.19973 92.28194 12.51452 
-30.29631      21.27073 
1 1 1 5   13 13 o 279.2351 4.877389 794.7313       27.69548  754.9382       
38.35938  838.0628       40.02856  271.8158 6.939777 286.4031 6.872914 
-14.58731      9.767161 
1 1 1 5   13 14 o 106.7848 8.167123 117.5311       17.60047  101.7945       
24.83247  133.4165       24.94959  98.34551 12.71463 113.2311 10.97314 
-14.88559      16.79498 
1 1 1 5   13 15 o 82.85274 11.63487 72.40972       19.06255  89.61960       
24.35949  45.21998       30.61835  91.84595 13.44008 64.95663 20.62795 
26.88932       24.62007 
1 1 1 5   13 16 o 111.3810 9.021715 128.5286       20.25837  118.3275       
28.48923  138.9628       28.81285  105.5899 13.58300 114.8872 12.53632 
-9.297379      18.48397 
1 1 1 5   13 17 o 152.2737 8.458271 239.4472       26.08820  214.5294       
43.26521  253.6830       32.70206  141.6541 15.26048 156.1587 10.35688 
-14.50458      18.44308 
1 1 1 5   13 18 o 39.37941 15.97757 8.348575       19.96245  -17.16461      
27.68339  35.98597       28.81281  35.88350 16.50598 58.34858 20.07074 
-22.46508      25.98619 
1 1 1 5   13 19 o 212.9867 6.751883 468.0089       29.24347  450.4636       
52.61948  475.8497       35.17600  204.9061 12.69062 214.0957 8.079549 
-9.189590      15.04430 
1 1 1 5   13 20 o 114.4137 8.317584 138.0172       19.21965  143.5425       
28.38634  133.3402       26.11667  114.2776 12.41481 110.4975 11.80561 
3.780106       17.13184 
1 1 1 5   14 0  o 185.8285 3.754309 351.2777       14.18710  338.8519       
26.19816  356.4336       16.87572  182.4032 7.062966 187.1699 4.433790 
-4.766708      8.339303 
1 1 1 5   14 1  o 131.6586 7.719699 177.1681       20.57775  177.1681       
20.57775  0.000000       0.000000  131.6586 7.719699 ?        ?        
0.000000       7.719699 
1 1 1 5   14 2  o 454.4137 4.504104 2100.683       41.62088  2089.657       
58.65489  2111.864       59.06893  453.0968 6.365928 455.4971 6.377082 
-2.400299      9.010673 
1 1 1 5   14 3  o 207.4488 3.589942 437.6971       15.14432  440.9608       
21.56927  434.5237       21.26851  208.1892 5.094786 206.6648 5.060797 
1.524338       7.181122 
1 1 1 5   14 4  o 132.8696 5.883850 179.6304       15.89785  115.9854       
22.44882  243.6640       22.51725  106.1652 10.53746 154.7240 7.156594 
-48.55878      12.73793 
1 1 1 5   14 5  o 681.9785 7.168976 4733.679       99.42126  4824.874       
124.6695  4574.359       164.7828  688.3287 8.906621 669.7831 12.09835 
18.54565       15.02325 
1 1 1 5   14 6  o 365.5352 5.137751 1359.315       38.19035  1405.880       
49.14462  1288.323       60.67974  371.6817 6.502096 355.6982 8.389008 
15.98346       10.61380 
1 1 1 5   14 7  o 505.4409 6.079598 2599.958       62.48801  2602.641       
105.7428  2598.519       77.46001  505.2633 10.29157 505.1746 7.540230 
0.8877563E-01  12.75820 
1 1 1 5   14 8  o 506.3184 7.569098 2611.331       77.93262  0.000000       
0.000000  2611.331       77.93262  ?        ?        506.3184 7.569098 
0.000000       7.569098 
1 1 1 5   14 9  o 130.8808 7.473528 175.1500       19.80835  167.1539       
25.32761  187.7441       31.78635  127.5800 9.838443 134.9952 11.69453 
-7.415192      15.28257 
1 1 1 5   14 10 o 398.4455 5.700353 1617.206       46.18725  1601.996       
55.30640  1652.262       83.96550  396.4026 6.861001 401.9041 10.27370 
-5.501556      12.35404 
1 1 1 5   14 11 o 177.7503 6.343827 322.2046       22.93048  295.5334       
38.81258  336.5058       28.42088  169.3160 11.33808 181.5250 7.699274 
-12.20898      13.70514 
1 1 1 5   14 12 o 203.7287 5.229825 423.0640       21.66660  423.8072       
30.72225  422.3285       30.56080  203.6518 7.418453 203.2997 7.392246 
0.3520203      10.47276 
1 1 1 5   14 13 o 234.4914 7.223228 562.1950       34.44370  0.000000       
0.000000  562.1950       34.44370  ?        ?        234.4914 7.223228 
0.000000       7.223228 
1 1 1 5   14 14 o 31.51606 13.65110 -1.741497      16.13102  -12.98157      
22.70869  9.706885       22.91815  33.45611 15.22206 42.72478 17.19479 
-9.268665      22.96458 
1 1 1 5   14 15 o 56.28283 15.90786 34.30983       19.01498  55.69186       
24.70127  3.209266       29.79058  71.14315 17.25192 44.53070 18.90417 
26.61245       25.59290 
1 1 1 5   14 16 o 82.12457 12.05133 71.53289       19.52738  105.1071       
28.06482  40.02419       27.18782  99.14554 14.33623 61.10284 19.44164 
38.04270       24.15584 
1 1 1 5   14 17 f 80.98909 14.95193 71.37220       23.71778  21.29331       
39.52005  99.56290       29.65126  56.19638 22.59258 95.69419 15.78788 
-39.49781      27.56233 
1 1 1 5   14 18 o 120.6391 9.021636 151.6646       21.97200  167.9384       
31.59811  136.4292       30.57342  125.6114 12.53782 112.6412 13.62430 
12.97018       18.51536 
1 1 1 5   14 19 o 92.83581 12.32858 93.50260       22.69884  139.2137       
43.35131  76.23692       26.64300  108.4035 20.41462 81.65566 16.61060 
26.74781       26.31860 
1 1 1 5   14 20 o 25.67267 12.17666 -17.71603      17.08823  -36.31509      
24.42450  0.1171489      23.91633  27.87610 13.55544 37.25192 16.36893 
-9.375824      21.25304 
1 1 1 5   15 0  o 253.0009 3.347478 651.0552       17.22230  685.8237       
37.79981  641.9468       19.34710  259.5058 7.162936 251.2126 3.787242 
8.293259       8.102522 
1 1 1 5   15 1  o 194.6973 7.209029 385.9959       28.54225  385.9959       
28.54225  0.000000       0.000000  194.6973 7.209029 ?        ?        
0.000000       7.209029 
1 1 1 5   15 2  o 466.0724 5.322731 2210.259       50.44747  2267.945       
90.17894  2183.984       60.86165  471.7532 9.400238 463.2144 6.461157 
8.538818       11.40662 
1 1 1 5   15 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   15 4  f 544.6953 6.030883 3018.894       66.80146  3061.024       
83.45113  2943.741       111.4562  548.3742 7.483483 537.5057 10.19694 
10.86847       12.64832 
1 1 1 5   15 5  o 339.0222 4.915042 1169.200       33.88495  1218.524       
43.89645  1096.471       53.30264  346.0482 6.237943 328.1781 7.987072 
17.87006       10.13436 
1 1 1 5   15 6  o 318.4520 4.939116 1031.680       31.98487  972.4866       
39.11958  1151.049       55.55232  309.1320 6.222986 336.2151 8.125189 
-27.08319      10.23446 
1 1 1 5   15 7  o 219.7725 5.540615 491.5068       24.76183  460.8223       
39.35121  511.6209       31.86025  212.6517 9.099925 224.1692 6.989110 
-11.51747      11.47416 
1 1 1 5   15 8  o 150.3347 6.025143 230.0826       18.41950  274.5056       
26.36304  187.7142       25.74613  164.1337 7.898532 135.3431 9.413157 
28.79053       12.28797 
1 1 1 5   15 9  o 479.9751 5.210151 2345.329       50.85345  2323.970       
71.02580  2367.795       72.84395  477.4939 7.314706 481.9558 7.432499 
-4.461884      10.42818 
1 1 1 5   15 10 o 54.38525 16.07170 31.02952       19.00966  42.94170       
21.73277  -7.770257      39.22238  63.30947 16.65629 47.97979 21.02547 
15.32968       26.82354 
1 1 1 5   15 11 o 142.1035 6.316922 205.9624       18.25416  218.8095       
25.96233  193.4024       25.67068  145.9965 8.785713 137.1514 9.258400 
8.845139       12.76349 
1 1 1 5   15 12 o 186.0284 5.396128 352.8477       20.41328  354.1563       
28.35798  351.4404       29.40813  186.1335 7.492028 185.3768 7.801187 
0.7567596      10.81614 
1 1 1 5   15 13 f 91.18314 9.128321 86.14857       16.69873  69.08919       
23.23600  104.3700       24.01437  80.27687 14.77830 99.81860 12.07626 
-19.54173      19.08492 
1 1 1 5   15 14 o 63.12604 13.67588 43.02110       17.04808  25.50640       
23.56290  62.26120       24.69626  51.63657 18.12814 75.55325 16.53338 
-23.91668      24.53533 
1 1 1 5   15 15 o 268.4788 5.880663 736.6691       32.10612  744.0801       
40.29097  723.7770       53.14098  269.4371 7.353580 264.8908 9.865321 
4.546295       12.30446 
1 1 1 5   15 16 o 152.1474 7.163693 237.3521       22.16425  217.8184       
30.41103  259.4843       32.37064  144.7316 10.40214 158.1208 10.12035 
-13.38927      14.51296 
1 1 1 5   15 17 o 126.3849 9.636130 166.2206       24.57898  178.7630       
43.21581  160.2234       29.88288  128.1467 17.00367 123.2707 12.07604 
4.876007       20.85559 
1 1 1 5   15 18 o 71.82200 13.88304 56.63626       19.54290  66.35704       
29.17795  48.72748       26.31838  75.98592 18.94783 65.37323 18.79504 
10.61269       26.68846 
1 1 1 5   15 19 o 62.35886 16.40406 44.94659       21.08132  -26.24977      
40.02716  72.27650       24.79961  41.07528 19.21750 79.63064 15.87194 
-38.55536      24.92450 
1 1 1 5   15 20 o 128.6593 9.122732 176.2431       23.71334  164.7674       
29.80503  196.0366       39.14370  122.2945 12.14546 130.9839 14.96435 
-8.689430      19.27288 
1 1 1 5   16 0  o 226.8069 3.267635 523.2024       15.07097  527.2594       
33.22009  522.1510       16.91145  227.5484 7.179193 226.5696 3.670522 
0.9787598      8.063097 
1 1 1 5   16 1  o 223.1645 3.346903 506.5278       15.18867  511.0663       
21.64275  502.1233       21.32090  224.1275 4.748602 222.1588 4.719442 
1.968796       6.694950 
1 1 1 5   16 2  o 219.9505 3.479223 492.0372       15.56176  478.0351       
21.67301  506.9388       22.35830  216.7668 4.916714 223.2237 4.925463 
-6.456818      6.959473 
1 1 1 5   16 3  o 242.6214 3.695164 598.6970       18.23116  604.9049       
25.77876  592.4853       25.78675  243.8411 5.198808 241.3233 5.254675 
2.517715       7.391834 
1 1 1 5   16 4  o 377.8069 6.171694 1452.435       47.41608  1452.435       
47.41608  0.000000       0.000000  377.8069 6.171694 ?        ?        
0.000000       6.171694 
1 1 1 5   16 5  o 287.6411 7.642751 842.2762       44.70459  0.000000       
0.000000  842.2762       44.70459  ?        ?        287.6411 7.642751 
0.000000       7.642751 
1 1 1 5   16 6  o 203.5238 4.591558 421.3776       19.00319  429.3661       
23.38514  405.8462       32.60695  205.4186 5.598203 199.6337 8.032021 
5.784897       9.790466 
1 1 1 5   16 7  f 134.6507 6.062288 184.5472       16.59956  177.1160       
20.90142  197.2399       27.31638  131.6312 7.844060 138.7472 9.743383 
-7.115997      12.50851 
1 1 1 5   16 8  o 401.6049 4.856860 1641.364       39.66487  1674.665       
56.20206  1608.317       55.98774  405.4840 6.815961 397.3589 6.928807 
8.125061       9.719346 
1 1 1 5   16 9  o 181.7506 5.417743 336.3681       20.02377  353.0689       
27.85712  318.5147       28.80229  186.0918 7.361352 176.7066 8.015359 
9.385269       10.88281 
1 1 1 5   16 10 o 281.0345 5.578379 804.7037       31.88006  785.5271       
37.29980  856.6855       61.41104  277.5505 6.608656 289.2250 10.44141 
-11.67453      12.35708 
1 1 1 5   16 11 o 150.4364 5.832767 230.7596       17.84346  244.7040       
25.24357  216.8352       25.22537  154.5089 8.062207 145.3400 8.572906 
9.168976       11.76834 
1 1 1 5   16 12 o 186.4151 5.432475 354.3803       20.59350  347.2852       
28.50244  362.1296       29.78725  184.2780 7.606014 188.1492 7.785321 
-3.871246      10.88406 
1 1 1 5   16 13 o 72.32279 11.85459 55.39065       16.83041  50.81993       
22.90368  60.75587       24.81458  68.28719 16.64491 74.69608 16.74978 
-6.408897      23.61373 
1 1 1 5   16 14 o 116.8174 7.935501 140.5612       18.73916  129.0807       
26.26962  152.4557       26.73896  111.0384 11.81552 120.9933 10.98735 
-9.954834      16.13470 
1 1 1 5   16 15 f 161.2186 7.127429 266.3478       23.36682  267.1137       
29.89818  265.1458       37.45599  160.7863 9.182257 159.4277 11.63361 
1.358612       14.82075 
1 1 1 5   16 16 o 56.63100 16.14470 34.96870       19.49844  51.83900       
27.93651  18.94435       27.22709  68.24998 19.27899 49.46892 19.09624 
18.78107       27.13569 
1 1 1 5   16 17 o 112.2342 10.86707 132.2733       24.49153  133.7848       
39.99381  131.3662       30.97993  109.7162 18.58921 110.6828 14.08310 
-0.9665298     23.32150 
1 1 1 5   16 18 o 42.70150 16.36373 14.94154       19.89120  -0.7517957     
29.93192  27.35352       26.61936  42.24375 18.44321 52.59237 19.17072 
-10.34861      26.60204 
1 1 1 5   16 19 o 82.67045 13.53105 75.92551       21.96029  45.41170       
38.58815  90.54168       26.70684  62.58464 23.04073 89.49416 15.21987 
-26.90952      27.61376 
1 1 1 5   16 20 o 57.20893 16.56120 39.44891       20.37113  20.35195       
24.74748  79.58416       35.87666  46.06072 18.08525 77.39457 21.84254 
-31.33385      28.35795 
1 1 1 5   17 0  o 27.40984 7.816137 7.833457       4.569487  8.832287       
14.70751  7.726740       4.807400  36.43993 14.04400 27.35273 8.081932 
9.087202       16.20345 
1 1 1 5   17 1  o 371.4178 3.987813 1403.207       30.11958  1381.773       
42.25434  1425.347       42.94510  368.4961 5.638805 374.2610 5.642708 
-5.764923      7.977235 
1 1 1 5   17 2  o 202.9693 3.498622 418.9900       14.44039  413.9240       
20.29405  424.1856       20.55197  201.7104 4.947537 204.1953 4.949443 
-2.484955      6.998222 
1 1 1 5   17 3  o 626.7567 8.092660 3999.626       103.1435  0.000000       
0.000000  3999.626       103.1435  ?        ?        626.7567 8.092660 
0.000000       8.092660 
1 1 1 5   17 4  o 271.0483 4.678016 747.3292       25.78456  747.3292       
25.78456  0.000000       0.000000  271.0483 4.678016 ?        ?        
0.000000       4.678016 
1 1 1 5   17 5  o 623.1356 5.817733 3951.050       73.72042  4070.609       
87.74193  3664.044       135.9446  632.4044 6.822772 599.4756 11.15165 
32.92883       13.07324 
1 1 1 5   17 6  o 250.1036 4.961780 636.4141       25.23532  600.9215       
31.67857  698.0497       41.74578  242.9772 6.411337 261.8091 7.841090 
-18.83185      10.12857 
1 1 1 5   17 7  o 147.3100 6.216104 220.9142       18.62095  205.5684       
24.60313  241.4923       28.49046  141.7646 8.574712 153.6355 9.160845 
-11.87096      12.54778 
1 1 1 5   17 8  o 323.9257 5.210658 1068.072       34.32332  1093.945       
43.77068  1026.759       55.31062  327.7170 6.567997 317.2949 8.572236 
10.42215       10.79916 
1 1 1 5   17 9  o 384.2797 4.827975 1503.396       37.72801  1457.982       
51.92698  1554.176       54.90871  378.1995 6.751817 390.4526 6.915468 
-12.25311      9.664923 
1 1 1 5   17 10 o 87.55603 11.17824 79.88216       19.44845  72.29217       
21.80084  109.4682       43.04234  82.77467 13.41040 100.2684 21.73645 
-17.49369      25.54041 
1 1 1 5   17 11 o 294.2708 4.728120 882.2220       28.29353  852.2838       
39.30473  914.4201       40.76118  288.9478 6.689197 299.2941 6.697260 
-10.34628      9.465656 
1 1 1 5   17 12 o 327.3767 4.834370 1092.419       32.18394  1119.176       
45.62434  1065.916       45.40636  330.9679 6.778901 322.9655 6.913679 
8.002441       9.682585 
1 1 1 5   17 13 o 159.0019 7.039108 258.6098       22.75995  271.8229       
37.18546  250.6947       28.78067  161.8535 11.37010 155.9751 9.113553 
5.878342       14.57175 
1 1 1 5   17 14 o 155.7080 6.511469 247.9972       20.61776  242.2598       
28.72641  254.0928       29.60946  153.1582 9.267002 156.8517 9.325026 
-3.693573      13.14661 
1 1 1 5   17 15 o 110.2603 8.963346 125.9980       19.92348  126.7244       
27.82912  125.2342       28.53630  109.5463 12.72988 108.7522 13.17217 
0.7941284      18.31818 
1 1 1 5   17 16 o 76.44946 13.38440 62.92238       20.04960  72.33168       
27.88090  52.84557       28.85292  80.79157 17.47827 68.78619 19.64941 
12.00538       26.29808 
1 1 1 5   17 17 o 159.6222 8.205310 263.4711       26.54414  231.5887       
44.78069  280.7416       32.95853  146.6378 15.23998 164.1595 9.919618 
-17.52176      18.18394 
1 1 1 5   17 18 o 89.41165 11.30866 85.45745       20.10187  51.35913       
29.45566  115.1815       27.50150  66.49097 20.08874 103.0472 13.44443 
-36.55621      24.17251 
1 1 1 5   17 19 o 43.74720 15.72029 19.49954       17.81389  23.05404       
27.02523  16.76857       23.68854  49.20694 19.01684 44.72922 17.65204 
4.477726       25.94677 
1 1 1 5   17 20 o 44.62416 16.68582 20.84434       20.38832  7.816625       
24.59454  49.46585       36.45447  40.16801 17.11753 61.46099 22.42971 
-21.29297      28.21528 
1 1 1 5   18 0  o 175.9397 3.847569 314.8581       13.76581  276.4070       
25.83355  330.1055       16.26779  164.7522 7.710835 180.1380 4.440909 
-15.38577      8.898238 
1 1 1 5   18 1  o 443.7394 4.418489 2002.995       39.87064  1998.766       
56.28269  2007.255       56.48907  443.1677 6.245329 444.1071 6.254972 
-0.9394226     8.839050 
1 1 1 5   18 2  o 166.9929 5.139894 283.7078       17.45435  0.000000       
0.000000  283.7078       17.45435  ?        ?        166.9929 5.139894 
0.000000       5.139894 
1 1 1 5   18 3  o 128.9230 4.241746 169.0625       11.12055  161.3041       
15.51410  177.2616       15.94858  125.9051 6.059431 131.9880 5.942049 
-6.082886      8.486733 
1 1 1 5   18 4  o 292.4414 4.718262 869.9774       28.05901  869.9774       
28.05901  0.000000       0.000000  292.4414 4.718262 ?        ?        
0.000000       4.718262 
1 1 1 5   18 5  o 507.6683 5.094705 2622.109       52.59573  2616.435       
61.24655  2638.045       102.6483  507.0623 5.939760 508.7686 9.921556 
-1.706390      11.56365 
1 1 1 5   18 6  o 510.1842 5.897681 2649.144       61.18707  2648.831       
75.54410  2649.739       104.3264  510.0216 7.283843 509.7594 10.06416 
0.2621765      12.42343 
1 1 1 5   18 7  o 292.9283 5.103620 873.2595       30.40123  879.2031       
38.54391  863.4746       49.45512  293.8429 6.450438 291.0580 8.355652 
2.784882       10.55581 
1 1 1 5   18 8  o 139.5775 6.696922 198.4941       19.00825  229.6918       
25.13883  156.8452       29.04595  149.8379 8.282495 123.2644 11.72909 
26.57352       14.35867 
1 1 1 5   18 9  o 215.9955 5.029782 475.0880       22.09252  502.9688       
31.37620  447.6738       31.11256  222.0893 6.947383 209.4940 7.303192 
12.59529       10.07982 
1 1 1 5   18 10 o 204.5933 6.252746 426.8872       26.01439  413.3533       
29.97495  468.1909       52.36499  201.2112 7.325798 213.0430 12.13735 
-11.83182      14.17683 
1 1 1 5   18 11 o 200.8036 5.178529 411.0238       21.14605  445.9782       
29.92916  376.1818       29.88096  208.9426 7.043946 191.8154 7.660544 
17.12726       10.40678 
1 1 1 5   18 12 o 166.6040 5.715122 283.2491       19.36254  318.5604       
27.90014  250.4408       26.89314  176.4118 7.777270 156.0892 8.504682 
20.32260       11.52456 
1 1 1 5   18 13 f 77.32204 12.46151 63.46706       18.92813  80.48539       
32.77734  54.95232       23.18467  85.38101 19.32822 70.95473 16.39728 
14.42628       25.34661 
1 1 1 5   18 14 o 117.3759 8.035481 142.0688       19.06433  138.5028       
27.03708  145.5951       26.88562  114.9825 11.72732 118.0273 11.34140 
-3.044876      16.31433 
1 1 1 5   18 15 o 66.40125 18.80470 48.84777       26.54377  48.84777       
26.54377  0.000000       0.000000  66.40125 18.80470 ?        ?        
0.000000       18.80470 
1 1 1 5   18 16 o 116.9896 9.107255 142.1085       21.49564  165.8335       
30.23812  117.8703       30.56334  125.5239 11.99205 104.6762 14.76859 
20.84770       19.02421 
1 1 1 5   18 17 o 130.6188 9.678759 178.0920       25.52557  177.1293       
43.88696  178.5841       31.37901  126.6902 17.50238 129.9034 12.01474 
-3.213242      21.22940 
1 1 1 5   18 18 o 116.3456 8.709214 141.6007       20.45588  162.8767       
31.38492  125.8873       26.97195  122.9497 12.73762 108.0652 12.50468 
14.88448       17.84977 
1 1 1 5   18 19 o 39.22551 15.35308 12.55950       17.78853  20.85034       
26.63659  5.885266       23.89904  47.73650 18.75657 39.69733 16.89431 
8.039169       25.24335 
1 1 1 5   19 0  o 211.3628 3.887373 454.3992       16.70845  413.2495       
30.68475  471.7425       19.92071  201.4654 7.489806 215.3441 4.549047 
-13.87866      8.763049 
1 1 1 5   19 1  o 859.4780 7.371667 7520.204       128.8403  7435.568       
180.3108  7608.498       184.1659  854.1075 10.38144 863.9617 10.48246 
-9.854187      14.75318 
1 1 1 5   19 2  o 211.0462 5.074183 453.1277       21.77686  0.000000       
0.000000  453.1277       21.77686  ?        ?        211.0462 5.074183 
0.000000       5.074183 
1 1 1 5   19 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   19 4  o 230.4305 4.786309 540.1682       22.42808  540.1682       
22.42808  0.000000       0.000000  230.4305 4.786309 ?        ?        
0.000000       4.786309 
1 1 1 5   19 5  o 287.1608 4.230813 838.8319       24.70588  856.4514       
29.80739  800.1605       44.15944  290.1321 5.052157 280.3092 7.747023 
9.822906       9.248819 
1 1 1 5   19 6  o 333.5646 4.931914 1132.172       33.45391  1104.822       
41.34533  1184.026       56.93081  329.4401 6.171611 340.8878 8.212672 
-11.44766      10.27311 
1 1 1 5   19 7  o 297.4574 4.421157 900.3334       26.74313  894.4183       
31.49020  915.6368       50.65110  296.4338 5.223917 299.6846 8.311379 
-3.250763      9.816737 
1 1 1 5   19 8  o 149.6337 6.271435 228.1148       19.08305  251.4992       
25.17697  196.5418       29.25481  156.8244 7.920383 138.2538 10.48367 
18.57051       13.13924 
1 1 1 5   19 9  o 231.3870 4.863661 545.2330       22.88515  559.6456       
32.33246  530.7631       32.39661  234.2510 6.787437 228.1058 6.984122 
6.145248       9.738956 
1 1 1 5   19 10 o 319.6959 5.608021 1041.923       36.45845  1003.617       
42.53002  1148.089       70.80457  313.5941 6.669240 334.5186 10.40854 
-20.92447      12.36189 
1 1 1 5   19 11 o 181.4751 5.497406 335.8779       20.28740  317.7602       
27.97686  355.9704       29.46215  176.2399 7.806265 186.5413 7.766726 
-10.30135      11.01180 
1 1 1 5   19 12 o 80.42056 9.916555 67.48637       15.87381  70.67372       
22.64662  64.40791       22.25638  81.30808 14.21430 77.42188 14.67348 
3.886200       20.42933 
1 1 1 5   19 13 o 120.9533 8.586786 150.9671       20.98304  186.9005       
35.99090  132.4642       25.82638  133.3269 13.45887 112.5982 11.43806 
20.72878       17.66268 
1 1 1 5   19 14 o 255.3406 5.313138 665.8451       27.58814  681.6168       
39.00691  650.0594       39.02414  257.8034 7.440490 251.7109 7.623947 
6.092453       10.65296 
1 1 1 5   19 15 o 113.0864 8.716409 132.4945       19.89012  135.2564       
27.62853  129.5231       28.65744  113.2829 12.18500 110.5657 12.99353 
2.717239       17.81308 
1 1 1 5   19 16 o 78.83694 13.92825 67.29872       21.51282  82.02077       
29.63901  50.90736       31.27426  85.91580 17.55738 67.51020 20.76101 
18.40560       27.18973 
1 1 1 5   19 17 o 130.7645 9.398848 178.4724       24.82614  192.4456       
42.89919  171.4363       30.44156  132.5617 16.25458 127.1604 11.91115 
5.401306       20.15160 
1 1 1 5   19 18 o 72.13569 13.12011 57.39730       18.53695  36.12505       
29.08168  71.95450       24.05756  57.28591 20.13793 79.94196 15.35687 
-22.65604      25.32528 
1 1 1 5   19 19 o 53.85983 15.33449 33.87545       17.60243  36.75273       
25.72545  31.34241       24.13755  55.68545 18.96935 52.33150 18.34923 
3.353951       26.39186 
1 1 1 5   20 0  o 435.2516 4.341409 1927.048       38.42577  1901.850       
79.11475  1934.827       43.95900  432.0844 9.004041 436.1003 4.956898 
-4.015900      10.27831 
1 1 1 5   20 1  o 509.9015 4.852139 2644.987       50.31193  2632.959       
70.90486  2657.183       71.40136  508.6071 6.855548 510.9402 6.872030 
-2.333038      9.706870 
1 1 1 5   20 2  o 590.0829 5.432736 3542.673       65.19032  3430.273       
89.69701  3668.517       94.90972  580.4653 7.598892 600.2665 7.775263 
-19.80121      10.87188 
1 1 1 5   20 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   20 4  o 89.76167 7.918049 82.68589       14.30498  82.68589       
14.30498  0.000000       0.000000  89.76167 7.918049 ?        ?        
0.000000       7.918049 
1 1 1 5   20 5  o 450.0547 4.776676 2060.809       43.71622  2077.744       
51.48977  2017.078       82.74121  451.8443 5.603775 444.8642 9.146248 
6.980072       10.72642 
1 1 1 5   20 6  o 119.1442 6.536079 144.9819       15.77539  118.4425       
20.60641  182.5594       24.52001  107.3405 9.539766 133.4973 9.086328 
-26.15682      13.17454 
1 1 1 5   20 7  o 164.3275 5.176568 274.8854       17.29830  268.9818       
21.00730  287.3194       30.48698  162.5048 6.357004 167.5677 8.979568 
-5.062866      11.00201 
1 1 1 5   20 8  f 117.3551 6.450621 140.7842       15.33504  128.6282       
18.47091  167.7499       27.51044  111.9684 8.168609 127.5912 10.70177 
-15.62273      13.46306 
1 1 1 5   20 9  f 340.0237 4.740064 1177.475       32.77516  1175.049       
45.60567  1180.066       47.13427  339.4113 6.607561 340.1006 6.815189 
-0.6893311     9.492454 
1 1 1 5   20 10 o 165.1508 7.008551 278.5526       23.53750  256.0716       
26.71457  356.5632       49.76432  157.9844 8.344995 185.3373 13.29222 
-27.35294      15.69465 
1 1 1 5   20 11 f 249.0881 4.910699 632.4949       24.87412  652.3801       
35.53134  613.3831       34.83367  252.6508 6.915753 244.9691 6.992563 
7.681686       9.834814 
1 1 1 5   20 12 o 54.51167 14.40677 32.09634       16.21125  15.63099       
22.80028  48.93040       23.05416  45.68163 17.51624 66.92008 16.92869 
-21.23845      24.35979 
1 1 1 5   20 13 o 100.0090 9.933458 104.1007       19.93456  104.0101       
33.96236  104.1483       24.62225  97.62848 17.76115 99.38663 12.45646 
-1.758156      21.69382 
1 1 1 5   20 14 o 288.8062 7.269579 855.4396       42.69404  855.4396       
42.69404  0.000000       0.000000  288.8062 7.269579 ?        ?        
0.000000       7.269579 
1 1 1 5   20 15 o 32.69768 14.32975 -3.228077      18.22199  17.12664       
25.94627  -23.03826      25.59685  47.81453 18.59002 32.84841 15.36827 
14.96612       24.11997 
1 1 1 5   20 16 o 30.69636 14.02360 -11.52209      19.52422  2.109967       
27.47691  -25.42438      27.74791  42.09029 18.01855 33.90907 15.90788 
8.181213       24.03599 
1 1 1 5   20 17 o 151.8876 8.529361 239.7701       26.23790  260.4530       
46.47651  230.0947       31.78791  154.9709 14.93278 147.8938 10.64077 
7.077133       18.33613 
1 1 1 5   20 18 f 127.9781 7.875381 170.8866       20.39602  229.8069       
32.02934  130.6973       26.45275  146.9064 10.79717 109.9695 12.02495 
36.93692       16.16101 
1 1 1 5   20 19 o 37.48835 14.86655 11.03519       16.87826  1.935713       
25.24579  18.38953       22.69619  38.59863 16.89259 44.42678 17.35505 
-5.828156      24.21895 
1 1 1 5   21 0  o 200.3606 3.244283 408.2731       13.21851  405.0122       
30.92772  409.0019       14.62123  199.4505 7.625380 200.5341 3.585457 
-1.083603      8.426263 
1 1 1 5   21 1  o 54.65934 6.384779 30.81938       6.963052  27.39224       
10.26375  33.74166       9.477646  50.93566 10.26374 56.94619 8.439852 
-6.010529      13.28817 
1 1 1 5   21 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   21 3  f 463.8612 4.656536 2188.904       43.92406  2220.137       
62.67339  2158.754       61.57711  467.0346 6.599071 460.5348 6.575146 
6.499756       9.315594 
1 1 1 5   21 4  o 101.2325 7.460647 104.9224       15.25023  104.9224       
15.25023  0.000000       0.000000  101.2325 7.460647 ?        ?        
0.000000       7.460647 
1 1 1 5   21 5  o 141.5151 5.101715 203.7931       14.68150  206.8996       
18.38383  198.3232       24.39396  142.5573 6.341550 139.2269 8.658935 
3.330399       10.73277 
1 1 1 5   21 6  o 257.2005 4.488485 673.1400       23.47595  667.3749       
28.31166  685.8271       41.99960  256.0499 5.437376 259.3951 7.962179 
-3.345154      9.641646 
1 1 1 5   21 7  o 72.54228 9.747379 54.70940       14.01521  27.08545       
17.27326  107.9378       23.97746  51.08923 15.37186 102.0205 11.77367 
-50.93128      19.36268 
1 1 1 5   21 8  o 81.50142 8.563511 68.59022       13.98059  52.55289       
16.61601  107.4643       25.86966  70.61662 12.00036 101.4997 12.81945 
-30.88307      17.55980 
1 1 1 5   21 9  o 205.1518 4.656404 428.6723       19.42573  428.3611       
22.89551  429.4723       36.70269  205.0078 5.491973 204.8857 8.809165 
0.1221008      10.38090 
1 1 1 5   21 10 o 243.4646 5.912593 604.7490       29.27286  624.8500       
34.33077  551.2070       56.03021  247.3376 6.825620 230.9239 11.97278 
16.41370       13.78175 
1 1 1 5   21 11 o 201.3492 5.268333 413.5308       21.57121  387.4550       
29.51952  443.4100       31.59915  194.5861 7.460123 208.1624 7.464862 
-13.57623      10.55356 
1 1 1 5   21 12 o 35.69595 14.30341 6.798207       15.78324  10.68069       
21.77777  2.502750       22.90675  42.37645 16.86109 39.37006 16.63733 
3.006397       23.68749 
1 1 1 5   21 13 o 61.57079 14.19388 41.23153       17.40761  46.15655       
25.24122  36.76452       24.03891  64.79993 18.33273 58.59229 18.23214 
6.207642       25.85536 
1 1 1 5   21 14 o 31.24146 14.89946 -32.40491      26.29973  0.000000       
0.000000  -32.40491      26.29973  ?        ?        31.24146 14.89946 
0.000000       14.89946 
1 1 1 5   21 15 o 30.37768 13.77490 -9.475825      18.39712  -4.506177      
26.87444  -13.85853      25.23756  39.38478 17.32785 35.07463 15.99277 
4.310146       23.58014 
1 1 1 5   21 16 o 137.9522 8.298571 197.1037       23.17170  216.4727       
32.83625  177.8908       32.70363  143.4850 11.34627 129.4927 12.57805 
13.99229       16.93945 
1 1 1 5   21 17 o 90.72992 13.06901 89.27593       23.41700  131.5895       
41.01949  68.81920       28.52125  106.8593 19.59899 77.23867 18.41778 
29.62059       26.89488 
1 1 1 5   21 18 o 110.3190 8.840202 128.3264       19.66529  113.1239       
29.91794  139.8913       26.09435  100.1829 15.15929 113.8962 11.42025 
-13.71329      18.97963 
1 1 1 5   21 19 o 37.82537 16.56598 2.024002       24.31738  2.024002       
24.31738  0.000000       0.000000  37.82537 16.56598 ?        ?        
0.000000       16.56598 
1 1 1 5   22 0  o 355.3901 4.563888 1284.820       32.98312  1322.252       
60.90486  1269.286       39.23444  360.3283 8.311935 353.1983 5.462575 
7.129974       9.946256 
1 1 1 5   22 1  o 598.6506 5.473790 3646.486       66.63663  3691.287       
95.32017  3603.662       93.19271  602.1000 7.785109 594.9196 7.703219 
7.180481       10.95205 
1 1 1 5   22 2  o 308.6058 3.832237 968.6926       24.04960  971.6110       
33.93047  965.7462       34.09265  309.0156 5.399557 308.0798 5.441844 
0.9357910      7.666086 
1 1 1 5   22 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   22 4  o 480.4013 5.756706 2348.920       56.23797  2348.920       
56.23797  0.000000       0.000000  480.4013 5.756706 ?        ?        
0.000000       5.756706 
1 1 1 5   22 5  f 194.6672 4.534647 385.5915       17.95096  383.2013       
22.18222  390.1271       30.55665  194.0245 5.622082 195.6740 7.679295 
-1.649490      9.517320 
1 1 1 5   22 6  o 367.2187 5.304910 1372.802       39.61450  1287.036       
48.84343  1537.670       67.71990  355.4259 6.757805 388.2573 8.577195 
-32.83139      10.91953 
1 1 1 5   22 7  o 325.5272 5.166817 1079.054       34.20281  1027.206       
42.51699  1174.144       57.57858  317.4623 6.585956 339.1610 8.348407 
-21.69867      10.63347 
1 1 1 5   22 8  o 306.7924 5.151074 958.7994       32.13615  934.1682       
39.81546  1004.837       54.43324  302.6619 6.469081 313.5572 8.536818 
-10.89523      10.71103 
1 1 1 5   22 9  o 160.3411 5.195950 262.0241       16.94187  283.6667       
20.06908  208.3527       31.60421  166.7729 5.917664 141.9764 11.03321 
24.79655       12.52000 
1 1 1 5   22 10 o 98.82813 10.10827 101.3914       20.02872  94.14054       
22.52474  128.7761       43.77445  94.79539 11.95036 108.5457 20.58479 
-13.75027      23.80220 
1 1 1 5   22 11 o 157.5617 5.979528 253.5281       19.15883  263.2349       
26.98335  243.6595       27.20741  160.0116 8.321355 153.8435 8.732735 
6.168045       12.06257 
1 1 1 5   22 12 o 59.39645 13.91473 38.26405       16.51241  -5.381179      
23.18440  83.19513       23.52344  36.41432 16.05463 88.39536 13.51581 
-51.98103      20.98639 
1 1 1 5   22 13 o 96.89256 9.063042 97.53009       17.64987  81.00621       
24.96665  114.0382       24.95473  86.68538 14.68771 104.0575 12.01390 
-17.37209      18.97532 
1 1 1 5   22 14 o 350.3741 5.788926 1255.801       41.24596  1220.927       
51.07931  1321.152       69.92225  344.8671 7.283529 357.4760 9.618715 
-12.60892      12.06522 
1 1 1 5   22 15 o 112.4717 9.282982 131.6608       21.04185  122.2090       
30.42149  140.3304       29.13551  106.6195 14.39948 115.0357 12.66464 
-8.416199      19.17650 
1 1 1 5   22 16 o 95.59522 11.00183 96.70774       20.99704  78.25040       
30.21250  113.9509       29.20188  83.07801 18.37113 102.5357 14.40217 
-19.45764      23.34354 
1 1 1 5   22 17 o 35.63641 15.71166 -3.171185      22.20444  56.88134       
40.18342  -29.56763      26.64122  69.32037 23.70752 31.62326 15.05786 
37.69711       28.08533 
1 1 1 5   22 18 o 39.12934 15.47947 11.83096       18.25730  25.57087       
28.66082  2.448097       23.68452  50.77965 19.59528 38.24184 16.55282 
12.53780       25.65094 
1 1 1 5   22 19 o 41.42979 15.20949 17.97123       16.79787  -3.803377      
23.69949  39.95395       23.81247  35.15531 15.81537 56.53721 18.21665 
-21.38190      24.12411 
1 1 1 5   23 0  o 126.2413 4.213676 162.1107       10.81718  126.4410       
22.19335  173.2250       12.38833  110.9398 9.942991 130.4907 4.668547 
-19.55092      10.98446 
1 1 1 5   23 1  o 332.1297 3.860689 1122.017       26.07498  1139.263       
37.14907  1105.270       36.60807  334.6100 5.459560 329.5800 5.462162 
5.029999       7.722824 
1 1 1 5   23 2  o 539.8373 5.109400 2965.181       56.08984  2893.633       
77.72681  3042.923       81.02177  533.1039 7.169808 546.6705 7.288274 
-13.56659      10.22375 
1 1 1 5   23 3  f 333.6396 5.756076 1132.939       39.05310  0.000000       
0.000000  1132.939       39.05310  ?        ?        333.6396 5.756076 
0.000000       5.756076 
1 1 1 5   23 4  o 387.1113 6.488692 1525.876       51.07924  1525.876       
51.07924  0.000000       0.000000  387.1113 6.488692 ?        ?        
0.000000       6.488692 
1 1 1 5   23 5  o 137.4256 5.599137 192.2689       15.64733  200.7453       
20.46091  180.3286       24.28443  140.1802 7.202049 132.6482 9.056881 
7.531998       11.57137 
1 1 1 5   23 6  o 304.5868 4.394643 944.1993       27.21988  911.6684       
31.85594  1032.205       52.39586  299.2332 5.235152 318.0970 8.100019 
-18.86380      9.644538 
1 1 1 5   23 7  o 238.9322 5.133658 581.4240       24.94325  569.0822       
32.32912  599.5765       39.20788  236.2418 6.729548 242.3513 7.955665 
-6.109573      10.42015 
1 1 1 5   23 8  o 45.96841 14.51668 21.57005       15.17999  7.898298       
20.58882  37.85395       22.46978  40.38929 16.28254 59.70224 17.42525 
-19.31295      23.84870 
1 1 1 5   23 9  o 118.8476 7.343753 144.9057       17.66147  131.9242       
23.58067  161.4930       26.65514  112.8578 10.39151 124.9194 10.59280 
-12.06155      14.83883 
1 1 1 5   23 10 o 314.0338 5.469750 1006.140       34.92974  1034.971       
39.99597  913.4712       71.70572  318.3517 6.178139 297.3516 11.85856 
21.00003       13.37142 
1 1 1 5   23 11 o 91.27912 9.119069 86.46214       16.70022  90.48748       
24.15098  82.77370       23.11820  92.41347 13.22875 88.29874 13.28668 
4.114723       18.74928 
1 1 1 5   23 12 o 144.8492 6.540092 214.6980       19.26422  183.0993       
26.79998  248.4798       27.71027  132.8446 9.993851 155.1841 8.817356 
-22.33945      13.32752 
1 1 1 5   23 13 o 191.3624 5.888404 374.5526       22.91425  354.9629       
32.09560  394.9182       32.72486  185.6964 8.499443 195.9486 8.212666 
-10.25220      11.81898 
1 1 1 5   23 14 o 97.87462 10.58266 100.5585       20.72748  82.39876       
27.84684  123.1193       31.03833  86.58060 16.41702 107.0053 14.64864 
-20.42471      22.00230 
1 1 1 5   23 15 o 156.8524 7.215866 252.8914       23.01606  231.9177       
32.36564  274.3488       32.73678  148.8647 10.76412 162.2895 9.967842 
-13.42473      14.67052 
1 1 1 5   23 16 o 80.64059 13.29529 70.65231       21.04240  51.60051       
29.92226  89.29255       29.59730  67.06015 20.24420 89.30743 16.91651 
-22.24728      26.38174 
1 1 1 5   23 17 o 97.30386 11.46634 101.7374       22.25292  93.60473       
40.87780  105.1626       26.52818  86.94826 22.82828 97.86704 13.70560 
-10.91879      26.62656 
1 1 1 5   23 18 o 27.72627 13.05052 -16.76873      18.94294  23.44231       
36.29159  -31.82660      22.20829  51.88056 21.35284 26.95825 13.06656 
24.92231       25.03356 
1 1 1 5   23 19 o 58.49635 14.41729 40.84790       17.03991  21.34269       
25.00281  57.76488       23.28493  45.79214 18.11491 68.11610 16.89285 
-22.32396      24.76930 
1 1 1 5   24 0  o 595.6373 6.340559 3611.123       76.79993  3549.004       
132.7286  3642.389       94.16433  589.8576 11.06537 598.0558 7.742715 
-8.198181      13.50526 
1 1 1 5   24 1  o 338.7391 3.899535 1167.171       26.86146  1169.300       
37.95705  1165.035       38.01870  338.9773 5.506433 338.3575 5.525480 
0.6197510      7.800753 
1 1 1 5   24 2  o 342.1802 5.704405 1191.670       39.69325  0.000000       
0.000000  1191.670       39.69325  ?        ?        342.1802 5.704405 
0.000000       5.704405 
1 1 1 5   24 3  o 524.3885 5.053755 2798.344       53.89131  2848.918       
77.09894  2750.027       75.35851  528.8760 7.168745 519.6205 7.131726 
9.255493       10.11199 
1 1 1 5   24 4  o 351.3450 6.311823 1257.073       45.09620  1257.073       
45.09620  0.000000       0.000000  351.3450 6.311823 ?        ?        
0.000000       6.311823 
1 1 1 5   24 5  o 180.0687 7.963989 330.6528       29.16220  0.000000       
0.000000  330.6528       29.16220  ?        ?        180.0687 7.963989 
0.000000       7.963989 
1 1 1 5   24 6  o 158.6178 5.013541 256.1841       16.17141  255.4940       
19.84343  257.5487       27.90433  158.3457 6.162529 158.5764 8.686337 
-0.2306519     10.65031 
1 1 1 5   24 7  o 223.8141 5.132248 510.2861       23.35858  493.2529       
30.01874  536.4288       37.18934  219.9000 6.712986 229.1703 7.980106 
-9.270325      10.42815 
1 1 1 5   24 8  o 317.4428 4.395808 1026.338       28.37629  1045.726       
33.57757  977.8906       53.07813  320.3252 5.154740 309.1553 8.442818 
11.16983       9.892043 
1 1 1 5   24 9  o 103.2211 6.532248 109.2507       13.64071  97.91457       
16.28816  135.8714       24.96029  97.43238 8.299979 114.3922 10.86027 
-16.95983      13.66877 
1 1 1 5   24 10 o 69.11351 11.41718 50.58865       15.48593  50.58865       
15.48593  0.000000       0.000000  69.11351 11.41718 ?        ?        
0.000000       11.41718 
1 1 1 5   24 11 o 137.9880 6.395454 194.7110       17.94585  192.9979       
25.39075  196.4211       25.36780  136.6678 9.189442 137.9013 9.097244 
-1.233429      12.93080 
1 1 1 5   24 12 o 57.16613 14.13851 35.60324       16.34443  15.33974       
23.52376  54.51551       22.72591  45.70631 17.72026 70.43766 16.20328 
-24.73135      24.01154 
1 1 1 5   24 13 o 170.4726 8.895496 300.5282       30.73038  300.5282       
30.73038  0.000000       0.000000  170.4726 8.895496 ?        ?        
0.000000       8.895496 
1 1 1 5   24 14 o 172.3897 6.957092 305.1030       24.38880  251.9320       
31.89135  380.0047       37.85134  155.5010 10.14079 191.2646 9.764379 
-35.76357      14.07760 
1 1 1 5   24 15 o 121.9090 8.875786 154.5465       21.85253  127.7683       
31.69619  178.8058       30.16865  108.6490 14.72539 130.2278 11.51054 
-21.57881      18.69036 
1 1 1 5   24 16 o 80.86792 13.40274 71.36698       21.26864  46.65742       
30.00420  96.32250       30.15315  63.91529 20.43306 92.73285 16.59948 
-28.81756      26.32590 
1 1 1 5   24 17 o 124.0216 9.300839 162.2549       23.28609  219.0354       
46.56377  143.3189       26.89007  138.9252 16.82529 115.3565 11.62129 
23.56879       20.44859 
1 1 1 5   24 18 o 52.10046 16.44683 32.08568       19.48647  -18.78759      
34.78758  55.34736       23.52339  38.45295 17.96629 67.51046 17.11217 
-29.05751      24.81157 
1 1 1 5   24 19 o 41.50188 15.13627 18.85276       16.59752  13.02053       
23.72053  24.44721       23.23197  41.11159 17.12165 46.53224 17.71946 
-5.420650      24.64001 
1 1 1 5   25 0  o 588.0428 6.300840 3519.988       75.34577  3471.250       
130.5204  3544.346       92.27308  583.2677 11.00422 589.9070 7.692013 
-6.639343      13.42609 
1 1 1 5   25 1  o 82.51205 4.954308 69.52590       8.274384  67.83728       
12.06349  71.02615       11.37071  81.27979 7.379004 83.24503 6.775836 
-1.965248      10.01807 
1 1 1 5   25 2  o 426.5455 4.435026 1851.155       38.46918  1827.846       
53.62946  1875.860       55.21233  423.7141 6.224136 429.2339 6.325439 
-5.519745      8.874179 
1 1 1 5   25 3  o 332.3804 5.755499 1124.715       38.90181  0.000000       
0.000000  1124.715       38.90181  ?        ?        332.3804 5.755499 
0.000000       5.755499 
1 1 1 5   25 4  o 116.1697 7.179341 138.0533       16.87700  138.0533       
16.87700  0.000000       0.000000  116.1697 7.179341 ?        ?        
0.000000       7.179341 
1 1 1 5   25 5  o 155.0330 8.322585 245.9864       26.14225  0.000000       
0.000000  245.9864       26.14225  ?        ?        155.0330 8.322585 
0.000000       8.322585 
1 1 1 5   25 6  o 184.1617 4.654274 345.3328       17.43022  341.0931       
21.21508  354.1392       30.57553  182.9626 5.702048 186.2294 8.073732 
-3.266724      9.884255 
1 1 1 5   25 7  o 141.2918 5.384594 203.4576       15.47111  179.5428       
18.90581  251.9367       26.91776  132.4327 7.045524 156.7302 8.477200 
-24.29745      11.02281 
1 1 1 5   25 8  o 259.9822 4.349730 688.5119       22.99627  693.2969       
27.23030  676.6129       42.94039  260.7894 5.134654 257.1178 8.212634 
3.671570       9.685661 
1 1 1 5   25 9  o 170.4113 4.860272 296.0762       16.84265  289.6231       
19.74733  313.3001       32.26177  168.4506 5.764803 174.4671 9.125045 
-6.016464      10.79349 
1 1 1 5   25 10 o 191.4083 5.632373 374.0871       21.92319  374.0871       
21.92319  0.000000       0.000000  191.4083 5.632373 ?        ?        
0.000000       5.632373 
1 1 1 5   25 11 o 76.40361 8.417286 60.68862       12.86089  69.58946       
15.85575  43.57019       21.98887  81.59278 9.749228 63.02023 16.83774 
18.57255       19.45654 
1 1 1 5   25 12 o 63.46836 14.37844 43.98980       18.12754  50.57345       
29.51217  40.00087       22.97186  67.50749 20.04344 60.41582 17.61466 
7.091675       26.68362 
1 1 1 5   25 13 o 230.3136 5.482363 542.4801       25.67668  553.7394       
35.90704  530.6978       36.73161  232.0698 7.608685 227.0730 7.954686 
4.996796       11.00768 
1 1 1 5   25 14 o 59.00736 15.39062 38.51777       18.66029  14.68991       
26.88990  60.65138       25.91629  46.92335 18.71517 73.50948 17.57515 
-26.58612      25.67379 
1 1 1 5   25 15 o 94.37621 10.92467 94.28983       20.57869  90.30680       
29.63329  97.99982       28.59957  90.03078 16.80397 94.49167 15.41542 
-4.460892      22.80369 
1 1 1 5   25 16 o 150.3972 9.115507 236.6059       27.74704  233.1359       
32.92884  245.1028       51.52816  148.3516 10.99347 147.7886 17.48445 
0.5629883      20.65338 
1 1 1 5   25 17 o 125.2980 18.53767 184.4720       45.80787  184.4720       
45.80787  0.000000       0.000000  125.2980 18.53767 ?        ?        
0.000000       18.53767 
1 1 1 5   25 18 o 30.37770 13.78123 -6.293393      18.44112  -6.722131      
33.50030  -6.106990      22.08912  40.27481 18.38784 33.33796 15.10773 
6.936852       23.79823 
1 1 1 5   26 0  o 819.7244 14.41308 6879.080       240.2570  6879.080       
240.2570  0.000000       0.000000  819.7244 14.41308 ?        ?        
0.000000       14.41308 
1 1 1 5   26 1  o 377.0687 4.638051 1446.748       35.56374  1435.545       
44.18620  1467.354       59.92570  375.5264 5.786218 379.4842 7.765475 
-3.957794      9.684158 
1 1 1 5   26 2  o 466.3269 5.337883 2213.521       50.61869  2166.779       
61.76716  2309.108       88.32937  461.2437 6.585303 475.7821 9.129470 
-14.53845      11.25671 
1 1 1 5   26 3  o 276.8037 4.373910 779.7047       24.62029  808.3497       
31.53934  735.0193       39.39222  281.7734 5.504288 268.5609 7.213004 
13.21249       9.073291 
1 1 1 5   26 4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   26 5  f 263.6015 4.263510 707.3047       22.85423  682.6031       
26.97024  770.2175       43.04196  258.8930 5.122867 274.7249 7.704466 
-15.83194      9.252165 
1 1 1 5   26 6  o 260.2785 4.987251 690.0976       26.39678  711.9520       
34.73215  660.2116       40.61595  264.1998 6.464692 254.2284 7.856356 
9.971390       10.17421 
1 1 1 5   26 7  o 295.5401 5.044826 890.1464       30.31894  930.3931       
39.97294  835.6274       46.52367  301.9149 6.510737 285.8448 8.003726 
16.07001       10.31743 
1 1 1 5   26 8  o 301.4162 4.345286 925.6431       26.63400  955.9898       
31.74675  853.5223       48.94107  306.1993 5.098515 288.6455 8.337913 
17.55386       9.773210 
1 1 1 5   26 9  o 97.29334 6.932487 97.31252       13.62618  94.71963       
16.14698  103.7271       25.39707  95.73813 8.378166 99.18873 12.89635 
-3.450600      15.37887 
1 1 1 5   26 10 o 64.26933 12.33174 44.27024       15.53064  44.27024       
15.53064  0.000000       0.000000  64.26933 12.33174 ?        ?        
0.000000       12.33174 
1 1 1 5   26 11 o 59.37433 11.88563 37.89468       13.84998  44.94085       
16.28430  19.46942       26.33292  64.55681 12.85614 49.33898 18.84670 
15.21783       22.81400 
1 1 1 5   26 12 o 196.8682 6.337168 396.9938       25.37011  441.6082       
42.28621  371.9031       31.71150  206.4789 10.07098 190.0728 8.204373 
16.40617       12.98985 
1 1 1 5   26 13 o 72.32006 12.33384 56.22336       17.48812  64.98115       
25.51121  48.45951       24.01996  76.39590 16.87192 65.80077 17.60566 
10.59513       24.38485 
1 1 1 5   26 14 o 263.7498 7.797512 716.9267       41.82150  0.000000       
0.000000  716.9267       41.82150  ?        ?        263.7498 7.797512 
0.000000       7.797512 
1 1 1 5   26 15 o 109.1235 9.898344 125.1105       21.72605  93.98459       
31.40389  153.6841       30.08883  91.30387 17.55144 119.9383 12.52121 
-28.63442      21.56000 
1 1 1 5   26 16 o 45.28931 17.71417 16.79617       23.66792  24.69036       
28.33330  -1.431337      43.05336  51.21457 19.55270 48.73703 21.66262 
2.477543       29.18179 
1 1 1 5   26 17 o 61.11079 16.06140 43.99754       20.22150  36.02080       
40.62977  46.62403       23.31416  57.95559 23.03966 62.28370 17.61838 
-4.328117      29.00402 
1 1 1 5   26 18 o 26.99516 12.53392 -10.56407      16.51229  -2.448154      
25.09797  -16.75816      21.92595  36.33195 16.31599 29.82110 14.03775 
6.510849       21.52370 
1 1 1 5   27 0  o 169.4797 6.406824 292.5034       22.08065  293.6928       
30.89341  291.2611       31.57112  169.4594 8.997203 168.7283 9.236395 
0.7311859      12.89421 
1 1 1 5   27 1  o 93.82275 6.212636 90.03520       11.78612  0.000000       
0.000000  90.03520       11.78612  ?        ?        93.82275 6.212636 
0.000000       6.212636 
1 1 1 5   27 2  o 262.5316 3.825512 701.2453       20.42315  742.3270       
29.36934  662.7781       28.41945  270.0276 5.348533 255.1414 5.477511 
14.88617       7.655712 
1 1 1 5   27 3  o 508.1669 4.979388 2628.954       51.45573  2662.810       
73.54685  2596.494       72.01609  511.0995 7.076316 504.7058 7.016812 
6.393677       9.965435 
1 1 1 5   27 4  o 169.3361 6.143638 292.2159       21.15565  292.2159       
21.15565  0.000000       0.000000  169.3361 6.143638 ?        ?        
0.000000       6.143638 
1 1 1 5   27 5  o 92.34249 6.650558 87.42230       12.40491  95.69909       
15.46217  72.47285       20.78031  96.47432 7.952328 83.02492 12.71289 
13.44940       14.99523 
1 1 1 5   27 6  o 168.7655 5.606463 290.3780       19.24084  251.3133       
25.34435  343.5231       29.56107  156.5856 7.985892 183.3131 7.930037 
-26.72746      11.25433 
1 1 1 5   27 7  o 149.5932 5.179942 228.1586       15.75753  229.3945       
19.27743  225.6702       27.35402  149.8971 6.324184 148.0746 9.128759 
1.822464       11.10538 
1 1 1 5   27 8  o 166.6207 4.935027 283.1039       16.72130  288.0187       
20.23910  272.5348       29.67954  167.9528 5.925875 162.6882 9.006268 
5.264679       10.78095 
1 1 1 5   27 9  o 209.2513 4.585933 446.4915       19.51405  427.6729       
22.74661  498.9482       37.97713  204.6700 5.465263 220.4359 8.472051 
-15.76584      10.08190 
1 1 1 5   27 10 o 41.87734 14.54955 16.75971       15.15936  16.75971       
15.15936  0.000000       0.000000  41.87734 14.54955 ?        ?        
0.000000       14.54955 
1 1 1 5   27 11 o 27.93435 12.22347 -2.479858      13.21399  -3.092787      
15.78980  -1.047308      24.13940  30.39640 13.32974 38.64560 16.71931 
-8.249191      21.38264 
1 1 1 5   27 12 o 31.52611 13.31667 1.607784       14.66487  4.432461       
18.33945  -3.401163      24.42165  36.28456 15.07835 37.85212 16.58898 
-1.567554      22.41765 
1 1 1 5   27 13 o 201.4643 6.387517 416.3587       26.16866  470.5183       
34.75158  345.4268       39.77021  213.6318 7.999397 181.7170 10.81125 
31.91475       13.44892 
1 1 1 5   27 14 o 209.5753 6.571327 451.1949       28.00558  425.5869       
37.06413  485.2692       42.75430  202.6384 8.994573 216.0311 9.732223 
-13.39272      13.25211 
1 1 1 5   27 15 o 125.0604 8.977426 163.4652       22.67899  223.0654       
31.02335  95.05695       33.23681  145.4669 10.55949 90.99316 18.59030 
54.47379       21.37995 
1 1 1 5   27 16 o 86.50001 18.04489 87.60052       30.71415  87.60052       
30.71415  0.000000       0.000000  86.50001 18.04489 ?        ?        
0.000000       18.04489 
1 1 1 5   27 17 o 56.91659 18.98808 39.43820       25.77191  25.93986       
39.41685  49.51747       34.06091  53.22989 22.11164 62.27811 21.79936 
-9.048225      31.05054 
1 1 1 5   27 18 o 49.79998 16.59758 30.46934       19.69304  23.51393       
24.41139  43.43144       33.32490  46.30369 18.02366 56.85597 21.31813 
-10.55228      27.91622 
1 1 1 5   28 0  o 243.4219 5.946873 603.4105       29.43742  665.0687       
42.82402  548.1755       40.53205  255.3740 8.246305 231.8179 8.598053 
23.55608       11.91336 
1 1 1 5   28 1  o 271.6483 3.701162 750.7855       20.44544  790.8754       
29.68282  714.5949       28.20239  278.7164 5.237103 264.9346 5.234748 
13.78180       7.404717 
1 1 1 5   28 2  o 352.0897 4.091394 1261.560       29.29382  1258.299       
41.19284  1264.897       41.66666  351.4831 5.763229 352.3981 5.814384 
-0.9149780     8.186689 
1 1 1 5   28 3  o 265.0085 5.526398 715.3769       29.78196  715.3769       
29.78196  0.000000       0.000000  265.0085 5.526398 ?        ?        
0.000000       5.526398 
1 1 1 5   28 4  o 122.4387 5.631917 152.7643       14.02253  155.3740       
17.65985  148.3113       23.06821  123.1997 7.078713 120.0232 9.529835 
3.176453       11.87122 
1 1 1 5   28 5  o 409.7707 4.626292 1710.299       38.55009  1703.873       
45.24170  1727.332       73.65434  408.8615 5.441407 410.8510 8.815817 
-1.989471      10.35990 
1 1 1 5   28 6  o 286.4313 5.065913 836.2817       29.50731  888.0070       
39.97191  774.3399       43.74169  294.8862 6.665750 275.1433 7.817810 
19.74289       10.27377 
1 1 1 5   28 7  o 202.6764 4.540625 418.6518       18.71415  431.2421       
23.02722  394.1598       32.11701  205.5871 5.508004 196.1632 8.051300 
9.423889       9.755077 
1 1 1 5   28 8  o 124.4527 5.742663 158.1688       14.53346  156.4468       
17.71963  161.7083       25.40410  123.4337 7.089178 124.8828 10.08962 
-1.449127      12.33114 
1 1 1 5   28 9  o 78.39001 8.482875 63.86426       13.30676  64.33268       
16.28090  62.92171       23.09484  78.23952 10.49773 76.05444 15.45959 
2.185089       18.68693 
1 1 1 5   28 10 o 50.65166 14.83446 27.60277       16.26005  27.60277       
16.26005  0.000000       0.000000  50.65166 14.83446 ?        ?        
0.000000       14.83446 
1 1 1 5   28 11 o 80.15224 9.156984 67.17542       14.65730  66.14312       
17.58303  69.52658       26.53573  78.97576 11.26782 79.20358 16.98496 
-0.2278137     20.38266 
1 1 1 5   28 12 o 157.2594 6.157696 253.4788       19.69184  271.2765       
24.11177  217.8327       34.12345  162.4236 7.300096 143.8291 11.76997 
18.59444       13.85004 
1 1 1 5   28 13 o 194.0668 6.556839 386.7424       25.87601  399.8015       
33.52550  367.4991       40.69656  196.7032 8.381319 187.3563 10.72621 
9.346939       13.61242 
1 1 1 5   28 14 o 59.32812 15.56145 39.38386       19.00712  23.73849       
27.36987  53.95745       26.41577  51.10873 19.28756 68.65415 18.50249 
-17.54542      26.72737 
1 1 1 5   28 15 o 79.78539 12.61746 69.36543       19.79056  42.64344       
28.48732  94.29295       27.51419  61.04829 19.94416 92.02334 15.23615 
-30.97504      25.09800 
1 1 1 5   28 16 o 47.80596 17.30756 23.85955       21.64333  46.95505       
29.04886  -4.959435      32.44926  62.35916 20.12302 41.39089 18.57253 
20.96827       27.38384 
1 1 1 5   28 17 o 111.6948 19.21271 155.8141       42.06528  155.8141       
42.06528  0.000000       0.000000  111.6948 19.21271 ?        ?        
0.000000       19.21271 
1 1 1 5   28 18 o 47.51959 14.92209 27.57376       16.06152  10.44556       
23.17449  43.40627       22.28071  39.33408 16.68433 57.65602 17.48330 
-18.32195      24.16677 
1 1 1 5   29 0  o 305.4436 8.508823 952.1226       52.85085  0.000000       
0.000000  952.1226       52.85085  ?        ?        305.4436 8.508823 
0.000000       8.508823 
1 1 1 5   29 1  o 230.3824 4.001571 540.1382       18.74697  626.2493       
31.97968  495.0528       23.13997  247.9016 6.343711 220.4931 5.160793 
27.40855       8.177803 
1 1 1 5   29 2  o 183.1388 4.231953 341.3992       15.76059  327.0468       
24.78482  351.1427       20.42125  179.0909 6.805512 185.6688 5.408690 
-6.577866      8.693039 
1 1 1 5   29 3  o 275.1743 7.209623 772.7253       40.34334  0.000000       
0.000000  772.7253       40.34334  ?        ?        275.1743 7.209623 
0.000000       7.209623 
1 1 1 5   29 4  o 49.95726 11.34134 26.64880       11.25832  44.05201       
14.85774  3.182981       17.25265  64.48405 11.76397 35.17147 14.62103 
29.31258       18.76607 
1 1 1 5   29 5  o 223.9371 4.927235 511.0667       22.43783  515.6168       
29.82199  505.1305       34.06299  224.7362 6.525475 222.2894 7.535511 
2.446854       9.968237 
1 1 1 5   29 6  o 154.9441 6.182242 245.1359       19.47926  245.7473       
29.23880  244.6481       26.11995  154.4433 9.353885 154.3005 8.355549 
0.1427612      12.54234 
1 1 1 5   29 7  o 231.5458 4.711375 546.6706       22.18380  570.1909       
28.33704  509.4366       35.65361  236.2850 5.897485 222.9589 7.863706 
13.32613       9.829455 
1 1 1 5   29 8  o 152.3130 5.490147 236.9162       17.00484  252.3097       
21.79150  212.9466       27.19240  156.9966 6.825672 143.5116 9.369123 
13.48508       11.59182 
1 1 1 5   29 9  o 157.2459 5.241147 252.5298       16.75935  242.5695       
20.13787  274.9723       30.22809  153.9407 6.432927 163.0984 9.150971 
-9.157776      11.18583 
1 1 1 5   29 10 o 42.99806 13.74670 19.15243       13.58026  20.78897       
16.15660  15.21291       25.06736  45.22701 15.03172 46.37212 18.20360 
-1.145111      23.60770 
1 1 1 5   29 11 o 69.10839 10.42318 50.66992       14.19277  53.20833       
17.32376  45.48819       24.75136  70.23722 12.59151 63.81939 18.18844 
6.417831       22.12160 
1 1 1 5   29 12 o 28.64334 12.68072 -3.945938      14.61072  -7.044524      
17.14177  4.284586       27.93751  29.94190 13.46208 43.06655 18.29563 
-13.12465      22.71470 
1 1 1 5   29 13 o 65.27782 15.57576 47.59078       20.38770  53.12077       
27.64772  40.99962       30.18409  68.16014 19.15299 61.17840 20.54897 
6.981743       28.09088 
1 1 1 5   29 14 o 182.6095 6.545153 343.1371       24.30494  345.7427       
34.50208  340.5702       34.24413  181.9537 9.356323 180.5837 9.357247 
1.369980       13.23249 
1 1 1 5   29 15 o 90.26014 11.09212 87.52626       19.93080  96.56664       
29.37125  79.81051       27.13427  92.24844 16.25080 83.51910 16.56147 
8.729347       23.20282 
1 1 1 5   29 16 o 52.62724 16.74961 32.24979       20.17877  49.39263       
27.02830  10.66218       30.33050  63.37060 19.26502 44.91353 19.07116 
18.45707       27.10812 
1 1 1 5   29 17 o 26.80538 12.72803 -18.01677      18.77239  -24.26558      
35.96153  -15.67618      22.00910  37.16174 17.63712 30.14517 14.15028 
7.016563       22.61191 
1 1 1 5   30 0  o 319.3578 6.059120 1039.304       39.34944  1016.968       
55.22016  1062.347       56.08698  315.5511 8.605510 322.5235 8.551637 
-6.972443      12.13200 
1 1 1 5   30 1  o 392.6345 4.222829 1569.310       33.71657  1551.841       
47.56077  1586.959       47.80503  390.2105 5.993748 394.6067 5.957414 
-4.396149      8.450787 
1 1 1 5   30 2  o 101.4986 4.839441 104.9264       9.988646  88.36116       
14.37445  120.3941       13.89015  92.70669 7.694344 108.4741 6.324368 
-15.76740      9.959948 
1 1 1 5   30 3  o 103.5694 5.523023 109.6486       11.59014  103.7227       
15.32336  117.5714       17.71805  100.4843 7.554302 106.9253 8.211327 
-6.441032      11.15766 
1 1 1 5   30 4  o 113.9743 5.487520 132.4575       12.71846  124.4559       
16.03235  146.0424       20.88997  110.1335 7.198167 119.1113 8.684319 
-8.977867      11.27967 
1 1 1 5   30 5  o 306.1322 4.921622 955.3999       30.63859  944.6255       
39.50396  971.6647       48.53668  304.1271 6.387546 308.1281 7.746175 
-4.001038      10.04012 
1 1 1 5   30 6  o 204.6164 6.518035 427.9604       27.12118  487.5840       
54.70378  408.5286       31.22953  216.5487 12.47533 199.7104 7.689769 
16.83824       14.65491 
1 1 1 5   30 7  o 191.3886 5.298035 373.9229       20.61969  370.2974       
27.52385  378.5603       31.12913  190.1547 7.117881 192.0906 7.969104 
-1.935928      10.68508 
1 1 1 5   30 8  o 224.9120 5.257371 516.5968       24.04544  496.2298       
31.34622  545.7159       37.48100  220.0608 7.004724 230.5024 7.996210 
-10.44164      10.63041 
1 1 1 5   30 9  o 150.0548 6.913758 230.8747       21.09675  207.1747       
30.29178  253.1980       29.39886  140.9613 10.64605 156.3531 9.288116 
-15.39174      14.12825 
1 1 1 5   30 10 o 48.69864 15.81740 24.80097       17.92771  45.46235       
26.09004  6.318211       24.67621  63.91022 18.81189 41.91319 17.45997 
21.99703       25.66589 
1 1 1 5   30 11 f 169.9052 7.173161 296.8728       24.78384  288.5814       
35.17494  305.0470       34.92568  166.1568 10.46377 171.0098 10.08788 
-4.852997      14.53464 
1 1 1 5   30 12 o 128.5083 9.181677 172.1649       23.83610  166.0668       
34.02395  178.0424       33.40331  124.3592 13.68032 129.1847 12.88731 
-4.825569      18.79452 
1 1 1 5   30 13 f 44.06560 16.72527 16.51299       20.65560  -1.962790      
32.37324  29.19905       26.82551  43.45374 19.07039 53.72029 19.29239 
-10.26654      27.12704 
1 1 1 5   30 14 o 132.7644 8.907928 184.3799       23.91033  146.5762       
40.34389  204.8476       29.68565  113.4713 18.09154 139.1953 10.56632 
-25.72392      20.95115 
1 1 1 5   30 15 o 130.7862 8.806907 179.9684       23.28631  214.2295       
40.49720  163.0448       28.46229  138.8986 14.55373 123.0028 11.51290 
15.89577       18.55688 
1 1 1 5   30 16 o 90.57683 13.26029 92.56580       23.70091  107.6075       
36.55002  81.65164       31.13395  92.33444 20.04103 80.71825 19.23981 
11.61620       27.78153 
1 1 1 5   30 17 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   31 0  o 285.8311 6.022359 832.8770       35.00480  851.7572       
50.17659  814.9759       48.85826  288.6690 8.547707 282.3742 8.508667 
6.294800       12.06071 
1 1 1 5   31 1  o 99.81334 4.212131 101.4381       8.549522  64.82599       
12.32981  135.3433       11.86527  79.28941 7.745908 115.2585 5.062365 
-35.96906      9.253466 
1 1 1 5   31 2  o 302.2312 7.102690 932.7921       43.65295  0.000000       
0.000000  932.7921       43.65295  ?        ?        302.2312 7.102690 
0.000000       7.102690 
1 1 1 5   31 3  o 250.4229 4.323989 638.7876       22.01963  599.5848       
27.35011  711.0163       37.12410  242.4754 5.546768 263.8293 6.919607 
-21.35393      8.868348 
1 1 1 5   31 4  o 99.35087 6.049406 101.1320       12.16361  111.7292       
15.78702  85.65071       19.08130  104.2419 7.497501 90.64172 10.54944 
13.60022       12.94230 
1 1 1 5   31 5  o 61.86769 10.37950 40.46630       12.59596  39.70450       
18.00432  41.19662       17.62837  60.50410 14.76369 61.68291 14.32783 
-1.178810      20.57312 
1 1 1 5   31 6  o 116.9994 6.857870 140.5724       16.24512  177.2726       
24.42049  111.4398       21.75756  130.9481 9.229801 103.3890 10.49410 
27.55907       13.97552 
1 1 1 5   31 7  o 176.8908 4.654167 319.2333       16.74166  319.4906       
20.38021  318.6993       29.35813  176.8172 5.668038 176.1157 8.197452 
0.7014465      9.966187 
1 1 1 5   31 8  o 147.2544 6.251976 221.9724       18.72134  240.6767       
25.77650  201.0905       27.23567  152.7151 8.331718 139.1822 9.683133 
13.53293       12.77422 
1 1 1 5   31 9  o 32.02776 12.77134 5.850097       12.51950  7.974289       
16.03638  2.534857       20.03396  36.37690 14.47041 36.78593 15.55298 
-0.4090347     21.24353 
1 1 1 5   31 10 o 112.1635 6.683030 129.5955       15.17405  122.2976       
18.24063  145.9940       27.34299  108.5573 8.326293 117.6158 11.58246 
-9.058487      14.26466 
1 1 1 5   31 11 o 115.6424 7.505664 138.3640       17.55511  154.0606       
22.17156  111.9873       28.74116  121.5951 9.031113 101.6434 14.30055 
19.95168       16.91350 
1 1 1 5   31 12 o 118.3341 7.079791 144.7211       16.95835  148.0053       
20.70483  138.0275       29.55867  119.2215 8.597850 113.3876 13.05795 
5.833939       15.63436 
1 1 1 5   31 13 f 141.2796 6.516673 205.4146       18.72219  216.7480       
22.84214  182.2161       32.68039  144.5509 7.799648 130.4816 12.46824 
14.06924       14.70686 
1 1 1 5   31 14 o 98.43483 8.768090 101.8574       17.36737  101.0735       
20.93007  103.5904       31.11933  97.25990 10.76283 95.47345 16.63314 
1.786446       19.81161 
1 1 1 5   31 15 o 49.25564 15.88009 27.49142       18.09354  20.25591       
26.82302  33.53260       24.50945  47.55025 18.77783 53.99787 18.51492 
-6.447617      26.37061 
1 1 1 5   31 16 o 75.72904 13.56612 66.16691       20.12420  70.29843       
26.95181  60.96120       30.25329  74.93343 17.92762 67.86001 20.32674 
7.073418       27.10306 
1 1 1 5   31 17 o 61.24469 17.71814 49.83760       23.32343  0.000000       
0.000000  49.83760       23.32343  ?        ?        61.24469 17.71814 
0.000000       17.71814 
1 1 1 5   32 0  o 153.3525 6.962674 240.1114       21.71293  219.4670       
30.33330  261.8047       31.09428  145.9010 10.28969 159.5444 9.629140 
-13.64337      14.09248 
1 1 1 5   32 1  o 168.5384 3.581148 289.1578       12.27362  323.5447       
18.31003  261.0989       16.53969  178.1736 5.053524 160.0564 5.081630 
18.11719       7.166664 
1 1 1 5   32 2  o 177.8903 4.120137 322.3102       14.90443  327.6360       
19.74026  315.2486       22.73079  179.2418 5.415796 175.7217 6.361180 
3.520096       8.354367 
1 1 1 5   32 3  o 32.61573 11.02367 10.22230       8.687142  16.53625       
13.01969  5.155712       11.66293  40.81659 13.49034 30.92876 12.32871 
9.887825       18.27530 
1 1 1 5   32 4  o 63.52827 8.456742 42.11167       10.65359  36.98320       
13.93453  49.32702       16.52826  58.74411 12.06849 67.99239 12.41140 
-9.248280      17.31160 
1 1 1 5   32 5  o 346.1478 5.011815 1222.570       35.27833  1253.534       
45.61261  1176.471       55.65483  350.1140 6.406549 338.6076 8.082666 
11.50632       10.31375 
1 1 1 5   32 6  o 72.21353 9.915514 54.79280       14.17647  47.23722       
21.47462  60.62884       18.87344  65.57298 16.19927 75.29668 12.78316 
-9.723701      20.63554 
1 1 1 5   32 7  o 171.6678 5.390396 301.1450       18.81746  299.2034       
24.94444  303.7091       28.66574  170.7828 7.182545 171.8327 8.203628 
-1.049881      10.90360 
1 1 1 5   32 8  o 37.53197 12.92552 13.60467       11.95134  22.57013       
15.09072  -1.479526      19.57423  46.24397 14.45475 34.63271 15.01933 
11.61126       20.84515 
1 1 1 5   32 9  o 99.04398 7.148258 101.3249       14.30052  92.81166       
17.44633  118.7577       24.96542  94.27254 9.218515 105.9337 11.78917 
-11.66116      14.96548 
1 1 1 5   32 10 o 154.7891 5.587881 245.4078       17.58891  249.5589       
21.20331  236.2485       31.49579  155.8460 6.690467 150.2060 10.37490 
5.640030       12.34508 
1 1 1 5   32 11 o 132.6652 6.905237 181.6246       18.56452  176.9845       
23.11872  190.0487       31.15021  130.3687 8.771467 133.9868 11.54539 
-3.618073      14.49947 
1 1 1 5   32 12 o 136.3022 6.798141 191.3189       18.84277  192.7649       
23.10500  188.4474       32.55948  136.1255 8.387550 132.9453 12.17887 
3.180222       14.78769 
1 1 1 5   32 13 o 143.6394 6.604354 212.6606       19.29102  214.6357       
23.69333  208.7763       33.22660  143.5829 8.148267 139.8357 11.79476 
3.747162       14.33564 
1 1 1 5   32 14 o 114.4141 7.868339 136.8852       18.19557  129.9253       
21.40256  155.0303       34.55772  110.7102 9.601722 117.9468 14.72921 
-7.236610      17.58245 
1 1 1 5   32 15 o 51.40968 14.51466 30.69072       15.83914  37.65852       
18.55603  11.98430       30.40411  56.45819 15.62981 45.13500 19.12572 
11.32319       24.69988 
1 1 1 5   32 16 o 47.94901 16.43827 27.63802       19.31957  31.99734       
24.88739  21.02747       30.64705  50.98767 18.54406 47.02307 19.51232 
3.964603       26.91863 
1 1 1 5   32 17 o 34.46900 15.38840 1.268572       21.97782  0.000000       
0.000000  1.268572       21.97782  ?        ?        34.46900 15.38840 
0.000000       15.38840 
1 1 1 5   33 0  o 51.89174 15.09468 28.59867       16.88655  52.32924       
23.75446  4.354846       24.00997  69.38354 16.97517 41.18722 17.19559 
28.19632       24.16288 
1 1 1 5   33 1  o 48.63726 6.925729 24.65672       6.656446  23.91935       
9.874445  25.27089       9.011849  47.30661 10.53492 48.81176 9.420242 
-1.505154      14.13243 
1 1 1 5   33 2  o 225.3827 4.084061 517.5094       18.71820  530.2628       
24.32208  498.9830       29.31453  227.9971 5.245900 220.9745 6.523632 
7.022659       8.371215 
1 1 1 5   33 3  o 141.1976 4.221575 203.1784       12.12142  215.2920       
17.75632  192.6067       16.58782  145.1738 6.014692 137.3203 5.940227 
7.853439       8.453568 
1 1 1 5   33 4  o 29.28511 11.81392 4.097196       10.84654  -10.79794      
15.51865  18.32318       15.16607  27.01193 12.40041 43.12014 14.56550 
-16.10821      19.12914 
1 1 1 5   33 5  o 196.3699 4.336481 393.2422       17.31664  388.4941       
21.21091  402.7318       29.98641  195.0303 5.348178 198.1549 7.441632 
-3.124634      9.164108 
1 1 1 5   33 6  f 181.2082 5.437647 335.5864       20.03735  339.8112       
28.16984  331.2597       28.50735  181.8985 7.615598 179.5493 7.807674 
2.349167       10.90675 
1 1 1 5   33 7  o 182.3915 4.545496 339.5728       16.85921  331.4497       
20.37499  357.2100       30.02291  180.0210 5.565738 186.3266 7.923673 
-6.305588      9.683080 
1 1 1 5   33 8  o 180.4544 4.772142 332.6751       17.51186  325.0023       
20.93332  350.5634       31.96273  178.1646 5.777836 184.2864 8.529021 
-6.121811      10.30182 
1 1 1 5   33 9  o 127.9047 5.961452 167.7112       15.50565  169.9294       
18.91394  163.1651       27.07703  128.2920 7.279876 124.5759 10.79519 
3.716042       13.02047 
1 1 1 5   33 10 o 92.96006 8.009359 89.93490       14.99289  87.05752       
18.21113  95.98775       26.41298  90.86155 10.02291 93.83849 14.29306 
-2.976936      17.45709 
1 1 1 5   33 11 o 107.8072 7.877267 120.8103       17.14975  129.2097       
21.85895  107.3625       27.65876  110.8661 9.796501 99.23895 14.10236 
11.62718       17.17114 
1 1 1 5   33 12 o 86.60581 11.57429 80.53966       19.87418  80.92825       
28.59347  80.17647       27.64327  84.28355 17.26360 84.13456 16.74596 
0.1489868      24.05117 
1 1 1 5   33 13 o 48.82581 15.29214 26.39550       16.88041  33.24174       
21.21190  14.57209       27.87564  54.24364 17.16339 46.26009 18.83857 
7.983551       25.48478 
1 1 1 5   33 14 o 132.0704 7.087327 181.7454       18.96488  186.2788       
22.59116  170.9254       34.90123  133.0726 8.391281 123.7637 14.12019 
9.308861       16.42539 
1 1 1 5   33 15 o 88.55874 9.394110 84.61163       16.65927  86.50348       
19.27920  79.03523       33.09947  88.68731 10.92068 77.58839 20.62423 
11.09892       23.33709 
1 1 1 5   33 16 o 21.65822 10.38227 -15.63907      13.12712  -13.17670      
15.05364  -23.45472      26.81932  24.43643 11.54208 31.24034 14.93958 
-6.803911      18.87884 
1 1 1 5   34 0  o 199.7372 6.312053 407.5798       25.63782  412.3489       
36.44259  402.9064       36.07492  200.4225 8.941518 198.1118 8.954548 
2.310791       12.65443 
1 1 1 5   34 1  o 74.31388 5.000622 56.58242       7.512969  42.31369       
10.62801  70.83468       10.62187  63.68733 8.412178 83.01604 6.339923 
-19.32871      10.53372 
1 1 1 5   34 2  o 363.1594 4.116272 1344.066       30.39854  1352.185       
43.30188  1336.176       42.68483  363.8255 5.852780 361.6794 5.803611 
2.146057       8.242387 
1 1 1 5   34 3  o 113.1964 4.597942 130.6913       10.58394  146.2688       
15.57232  117.3175       14.42891  119.4032 6.437147 106.8597 6.673392 
12.54344       9.272056 
1 1 1 5   34 4  o 253.0517 4.665565 653.3824       24.00849  665.8926       
31.72795  636.6228       36.72347  255.1413 6.115188 249.1676 7.247707 
5.973663       9.482868 
1 1 1 5   34 5  o 27.38286 11.28860 2.543385       10.16377  6.285593       
13.31803  -2.675866      15.72824  33.08833 13.17923 30.51998 13.34582 
2.568350       18.75641 
1 1 1 5   34 6  o 147.8840 5.914887 223.8572       17.78767  218.6219       
25.79502  228.6037       24.56142  145.3123 8.770458 148.7847 8.148888 
-3.472382      11.97186 
1 1 1 5   34 7  o 133.8336 5.231222 183.1613       14.23704  182.4770       
17.67062  184.4271       24.03534  133.3741 6.515216 133.2901 8.918962 
0.8399963E-01  11.04518 
1 1 1 5   34 8  o 227.6228 5.263940 530.1722       24.36566  522.4771       
31.87444  540.9905       37.79314  225.4330 6.953024 228.9347 8.118017 
-3.501709      10.68863 
1 1 1 5   34 9  o 47.30410 13.14743 24.48480       13.10262  30.98688       
16.21751  12.26231       22.23504  52.92315 14.59599 42.73191 17.02626 
10.19124       22.42624 
1 1 1 5   34 10 o 72.47672 10.58914 56.10798       15.14619  66.22124       
18.34384  34.44331       26.84855  78.40436 11.87727 56.51262 19.37823 
21.89174       22.72851 
1 1 1 5   34 11 o 115.7374 7.271004 138.8543       17.02578  144.0693       
20.93121  128.6565       29.26990  117.3724 8.834328 108.8816 13.50976 
8.490776       16.14184 
1 1 1 5   34 12 o 38.21056 15.61955 7.990041       19.25453  -33.35788      
28.53858  42.53756       26.08638  32.20524 15.40379 60.71069 19.00936 
-28.50546      24.46696 
1 1 1 5   34 13 o 166.1149 6.025754 284.5777       20.35501  297.0052       
25.13251  260.8840       34.70251  169.1437 7.306824 156.1761 10.99706 
12.96761       13.20322 
1 1 1 5   34 14 o 168.1239 6.029861 292.6315       20.61522  290.3148       
24.21216  298.7375       39.30825  166.8605 7.135569 165.4403 11.76059 
1.420135       13.75601 
1 1 1 5   34 15 o 77.06426 10.52093 65.78071       16.05687  63.15768       
18.62824  73.36328       31.67223  74.07828 12.83076 73.63586 20.43208 
0.4424133      24.12671 
1 1 1 5   34 16 o 28.16935 12.75061 -3.684754      15.68140  -3.684754      
15.68140  0.000000       0.000000  28.16935 12.75061 ?        ?        
0.000000       12.75061 
1 1 1 5   35 0  o 265.1435 8.569822 722.1243       46.20663  722.1243       
46.20663  0.000000       0.000000  265.1435 8.569822 ?        ?        
0.000000       8.569822 
1 1 1 5   35 1  o 29.97352 9.101428 9.295853       6.035105  17.35001       
9.097212  2.964978       8.065480  40.28164 10.85893 25.24569 10.18634 
15.03596       14.88885 
1 1 1 5   35 2  o 212.3972 3.659863 459.6534       15.80757  463.1549       
22.87170  456.4512       21.87233  212.9633 5.281318 211.4497 5.086704 
1.513535       7.332590 
1 1 1 5   35 3  o 217.1678 3.772097 480.6765       16.65826  483.0874       
23.77687  478.3523       23.34572  217.4433 5.377212 216.3889 5.305433 
1.054367       7.553941 
1 1 1 5   35 4  o 146.3836 5.114346 218.9125       15.22418  205.7847       
20.62871  234.6152       22.56135  141.4205 7.196891 151.1636 7.339500 
-9.743011      10.27927 
1 1 1 5   35 5  o 131.1582 4.996601 175.7663       13.32666  179.0547       
16.92459  170.4004       21.61930  132.1901 6.296048 128.3264 8.329700 
3.863708       10.44146 
1 1 1 5   35 6  o 103.4689 7.396392 110.6571       15.45997  115.0778       
23.06166  107.0488       20.83492  104.5155 11.01666 100.9927 10.28865 
3.522858       15.07392 
1 1 1 5   35 7  o 163.3133 4.754026 272.6025       15.78827  268.6291       
19.32815  280.5701       27.37005  161.8978 5.870807 164.8490 8.164657 
-2.951141      10.05624 
1 1 1 5   35 8  o 54.01359 11.70666 31.79552       12.48730  49.68298       
15.92645  3.252095       20.11859  67.77051 11.99548 36.90450 15.59350 
30.86601       19.67355 
1 1 1 5   35 9  o 114.3221 6.590562 134.9253       15.25665  146.4819       
18.50737  110.4168       26.95178  118.8122 7.701543 100.9394 13.46618 
17.87280       15.51295 
1 1 1 5   35 10 f 56.91176 12.60853 35.72569       14.20796  39.13122       
17.58273  29.31797       24.11825  59.04455 14.70063 52.67442 18.34904 
6.370136       23.51161 
1 1 1 5   35 11 f 27.53589 12.43002 -6.421607      14.78596  -8.475408      
18.90735  -3.188132      23.72392  30.81485 13.96968 36.75132 16.21987 
-5.936466      21.40645 
1 1 1 5   35 12 o 143.1645 7.935234 213.8053       23.01146  234.7937       
33.03569  194.0237       32.07194  148.3382 11.03053 134.2781 11.86759 
14.06010       16.20224 
1 1 1 5   35 13 o 36.13446 14.50410 8.913801       16.25986  -6.114102      
19.90245  39.07610       28.19614  32.12499 14.46878 57.54241 19.85129 
-25.41742      24.56459 
1 1 1 5   35 14 o 53.76625 14.11120 33.92434       15.62326  23.78032       
18.56219  58.56907       28.93250  45.96102 16.09247 67.27612 19.81230 
-21.31509      25.52440 
1 1 1 5   35 15 o 74.05159 10.56824 61.46408       15.46287  46.48884       
17.62883  111.4198       32.19802  61.90694 14.29269 93.36935 17.60357 
-31.46241      22.67524 
1 1 1 5   35 16 o 31.09477 13.45471 3.762427       15.63783  3.762427       
15.63783  0.000000       0.000000  31.09477 13.45471 ?        ?        
0.000000       13.45471 
1 1 1 5   36 0  o 39.52541 16.57404 4.043363       22.44968  4.043363       
22.44968  0.000000       0.000000  39.52541 16.57404 ?        ?        
0.000000       16.57404 
1 1 1 5   36 1  o 139.5045 3.648261 198.3227       10.34965  222.7617       
15.29400  177.6761       14.05731  147.6936 5.092230 131.8863 5.241446 
15.80730       7.307774 
1 1 1 5   36 2  o 32.42588 9.687715 11.00166       6.878520  10.85827       
10.81577  11.09904       8.913316  34.50397 12.26505 33.51633 11.16607 
0.9876442      16.58652 
1 1 1 5   36 3  o 145.4935 4.427478 216.0361       13.09940  213.1589       
21.21528  217.8090       16.65300  143.8893 7.274125 145.9248 5.611927 
-2.035538      9.187307 
1 1 1 5   36 4  o 198.1266 4.173961 400.5365       16.81677  413.7696       
21.01309  376.9618       28.04667  201.1906 5.136069 191.5410 7.200589 
9.649521       8.844641 
1 1 1 5   36 5  f 154.7199 4.581666 244.5084       14.41521  236.4589       
17.92582  259.2408       24.25113  151.9435 5.801569 158.7041 7.514366 
-6.760681      9.493361 
1 1 1 5   36 6  o 43.52482 13.40564 20.17974       13.03389  19.94346       
20.79780  20.33256       16.72590  46.33898 16.93704 44.84320 15.29548 
1.495781       22.82137 
1 1 1 5   36 7  o 87.07425 8.239522 79.09094       14.41612  62.95885       
19.69400  97.71375       21.15977  76.05061 13.21397 95.97219 11.04347 
-19.92158      17.22113 
1 1 1 5   36 8  o 223.5692 4.573912 511.1954       20.79463  514.9210       
25.06662  502.9724       37.23994  224.0908 5.500729 220.2884 8.313156 
3.802460       9.968279 
1 1 1 5   36 9  o 153.0632 5.366102 240.2938       16.70248  256.2445       
20.33363  207.2056       29.28610  157.7922 6.336914 140.1494 10.34908 
17.64282       12.13507 
1 1 1 5   36 10 o 118.4968 7.260106 145.7160       17.41012  147.1818       
21.93902  143.2229       28.61246  118.3833 9.185206 115.2911 12.39906 
3.092133       15.43064 
1 1 1 5   36 11 o 29.86083 13.06847 -1.732973      15.10922  8.804198       
19.03825  -19.66230      24.83403  38.36715 15.59014 32.39628 15.15064 
5.970871       21.73924 
1 1 1 5   36 12 o 75.16145 11.51369 61.71687       17.03728  59.96823       
21.50717  64.66294       27.91607  72.38395 15.09988 73.31467 18.67332 
-0.9307251     24.01456 
1 1 1 5   36 13 o 95.57124 9.137365 97.60687       17.54181  87.31994       
21.51815  117.9876       30.28807  88.67413 12.26126 101.1750 15.19050 
-12.50089      19.52152 
1 1 1 5   36 14 o 81.35223 10.01351 72.65010       16.21589  67.95515       
19.06517  84.93118       30.83494  77.05975 12.60210 80.90115 19.05676 
-3.841408      22.84674 
1 1 1 5   36 15 o 99.25127 7.862073 106.2593       15.73824  94.27628       
17.40632  159.9437       36.84248  92.33331 9.401526 111.8265 16.71424 
-19.49316      19.17692 
1 1 1 5   37 0  o 200.8122 8.783947 415.8524       35.87000  415.8524       
35.87000  0.000000       0.000000  200.8122 8.783947 ?        ?        
0.000000       8.783947 
1 1 1 5   37 1  o 28.72973 8.872949 8.506597       5.705556  4.915410       
8.878499  11.03295       7.446758  27.72321 10.84785 32.67021 10.14460 
-4.947001      14.85223 
1 1 1 5   37 2  o 46.25832 7.911571 22.62759       7.174786  19.97723       
11.10469  24.52682       9.400318  43.08450 12.14949 47.78030 9.995974 
-4.695793      15.73308 
1 1 1 5   37 3  o 348.5228 4.619711 1240.662       32.74141  1216.474       
54.30888  1254.473       41.03775  343.6891 7.770584 350.0159 5.765598 
-6.326813      9.675955 
1 1 1 5   37 4  o 143.4551 4.542739 210.2204       13.25212  207.8696       
16.77279  214.1258       21.61908  142.4444 5.790400 144.0454 7.405560 
-1.601044      9.400588 
1 1 1 5   37 5  o 76.81808 7.101911 61.22857       10.96848  64.44210       
14.28361  56.61030       17.12323  78.32585 9.139574 72.49240 12.03785 
5.833450       15.11429 
1 1 1 5   37 6  o 131.5318 6.253173 177.7038       16.72563  198.3061       
25.24436  161.5838       22.33007  137.9093 9.051833 124.4912 8.878846 
13.41813       12.67949 
1 1 1 5   37 7  o 74.98423 8.142529 58.88824       12.21643  47.26820       
15.44139  78.33081       19.97373  65.95058 11.95392 85.38306 11.82075 
-19.43248      16.81149 
1 1 1 5   37 8  o 352.6618 4.633957 1272.922       33.23241  1275.485       
39.35452  1266.552       62.04076  352.5498 5.489372 348.8542 8.745440 
3.695587       10.32550 
1 1 1 5   37 9  f 45.67909 13.61058 22.93753       13.59060  25.17068       
17.05901  19.05744       22.48615  48.03490 15.41240 45.97649 17.45063 
2.058414       23.28233 
1 1 1 5   37 10 o 113.7917 7.500997 134.7998       17.25991  130.6947       
21.54982  142.1452       28.82623  111.2079 9.624079 114.5277 12.58482 
-3.319801      15.84300 
1 1 1 5   37 11 o 201.2083 5.327724 416.2343       21.79912  412.8502       
26.50463  423.3096       38.32366  199.8390 6.522139 200.5870 9.395349 
-0.7479248     11.43726 
1 1 1 5   37 12 o 95.87875 8.926397 97.71067       17.20406  100.5015       
21.33395  92.52071       29.09297  96.13382 11.11813 88.73604 16.73638 
7.397781       20.09277 
1 1 1 5   37 13 o 56.22623 14.12864 37.20531       16.13474  39.91504       
19.18032  30.64655       29.84030  57.43933 15.88646 51.91708 20.00558 
5.522247       25.54609 
1 1 1 5   37 14 o 94.38464 8.663900 96.57508       16.44338  90.47309       
18.87707  115.7689       33.47952  90.05242 10.50580 94.61451 18.05965 
-4.562088      20.89312 
1 1 1 5   37 15 o 78.26505 9.693645 69.01070       15.09781  58.44556       
16.67591  117.0395       35.55516  70.09647 12.13843 89.67560 20.00582 
-19.57912      23.40030 
1 1 1 5   38 0  o 112.0063 8.176219 129.9999       18.49420  122.0519       
26.18442  137.9120       26.12516  107.2711 12.22171 114.4043 11.38068 
-7.133156      16.70000 
1 1 1 5   38 1  o 203.6592 3.493514 422.8410       14.46832  444.1316       
20.99118  403.5723       19.96960  208.4460 4.952127 198.7024 4.942137 
9.743637       6.996305 
1 1 1 5   38 2  o 43.85914 8.206850 20.47452       7.050556  27.52745       
11.04054  15.61739       9.162111  50.40484 11.07382 38.24780 11.11656 
12.15704       15.69100 
1 1 1 5   38 3  o 40.28753 10.24866 17.55415       8.416312  11.37177       
13.98129  21.06760       10.53990  36.90760 13.81417 44.02805 11.60719 
-7.120445      18.04323 
1 1 1 5   38 4  o 214.2939 4.119710 468.9148       17.95262  480.5568       
22.35368  447.7626       30.13088  216.6998 5.072698 208.5301 7.105452 
8.169724       8.730391 
1 1 1 5   38 5  o 117.6895 5.235607 141.8712       12.53014  133.3288       
15.95880  155.6017       20.23281  113.5722 6.943334 122.3504 8.179158 
-8.778259      10.72886 
1 1 1 5   38 6  o 212.5753 5.222774 463.1055       22.57696  463.3843       
31.67419  462.8174       32.18932  211.8218 7.353320 211.6355 7.479488 
0.1863098      10.48876 
1 1 1 5   38 7  o 114.6089 5.919011 135.3727       13.74782  131.5811       
17.44871  141.5797       22.32497  112.4752 7.674610 115.9918 9.549669 
-3.516647      12.25136 
1 1 1 5   38 8  o 85.12367 7.975316 75.86498       13.64449  91.54789       
17.15753  48.88268       22.50509  93.16594 9.175274 65.08968 16.86558 
28.07626       19.19983 
1 1 1 5   38 9  o 123.5756 6.386706 157.9258       15.99464  167.0948       
19.96348  141.4893       26.72884  126.6093 7.791713 114.7392 11.61562 
11.87013       13.98690 
1 1 1 5   38 10 f 75.14445 10.88161 61.09043       16.14408  53.04158       
20.39914  74.58153       26.41000  68.14302 15.11660 80.25379 16.72513 
-12.11077      22.54421 
1 1 1 5   38 11 o 54.95016 19.50404 34.49868       27.34093  0.000000       
0.000000  34.49868       27.34093  ?        ?        54.95016 19.50404 
0.000000       19.50404 
1 1 1 5   38 12 o 29.90157 13.26708 -2.537705      16.07943  -19.94842      
20.06074  28.74767       26.89115  27.70392 13.15552 50.87548 19.13546 
-23.17156      23.22140 
1 1 1 5   38 13 o 77.50159 10.79070 66.92615       16.54497  78.44751       
19.49100  37.21900       31.29773  83.29497 11.84035 54.08865 20.57388 
29.20631       23.73771 
1 1 1 5   38 14 o 18.23046 9.108121 -33.62722      13.92035  -33.54347      
15.67596  -33.93956      30.27267  19.99160 9.935665 30.89609 15.03937 
-10.90449      18.02498 
1 1 1 5   38 15 o 53.00440 13.24989 35.54652       14.24277  30.09910       
15.73843  60.18979       33.47454  47.64409 14.74035 58.68235 21.48160 
-11.03826      26.05258 
1 1 1 5   39 0  o 134.3976 7.459216 186.6092       20.30612  204.3037       
28.16889  167.4667       29.29880  139.7940 9.974457 125.8877 11.57463 
13.90638       15.27946 
1 1 1 5   39 1  o 29.27122 8.802088 8.965670       5.664813  10.04483       
8.456080  8.087062       7.629970  32.04590 10.87586 29.43896 10.31683 
2.606941       14.99070 
1 1 1 5   39 2  o 56.65584 6.841448 33.48371       7.722559  24.58421       
12.65396  38.76558       9.748494  47.38995 12.82034 60.73805 8.094179 
-13.34810      15.16169 
1 1 1 5   39 3  o 86.00919 5.199466 76.02662       9.051254  95.56515       
13.64134  60.65907       12.09799  96.07238 7.031279 76.21679 7.921414 
19.85559       10.59187 
1 1 1 5   39 4  o 166.9488 4.331373 284.8894       14.70484  281.1229       
18.58574  291.1934       24.04438  165.5702 5.520090 168.0640 7.035379 
-2.493729      8.942480 
1 1 1 5   39 5  o 34.59962 11.80185 11.87512       9.957806  -0.8523267     
13.31988  28.00095       14.99307  28.60109 12.39660 50.22301 14.10139 
-21.62191      18.77564 
1 1 1 5   39 6  o 76.86313 9.115270 62.46918       13.96986  75.25245       
22.64496  54.61511       17.74999  82.52257 13.99422 70.48874 12.85676 
12.03383       19.00353 
1 1 1 5   39 7  o 92.37419 7.069821 88.74756       13.17956  90.02273       
17.18082  86.92424       20.54435  92.30791 9.278447 89.79555 11.51625 
2.512360       14.78897 
1 1 1 5   39 8  o 62.05873 10.85397 41.87885       13.19873  50.88680       
16.76262  27.18268       21.41070  67.87383 12.60890 50.15772 17.29883 
17.71611       21.40640 
1 1 1 5   39 9  o 125.0782 6.446941 162.0466       16.34207  174.3914       
20.44076  140.1787       27.20564  129.2180 7.815749 113.7891 11.93498 
15.42891       14.26639 
1 1 1 5   39 10 o 88.99710 9.113422 84.19430       16.26072  74.78472       
19.89026  103.1560       28.23543  82.41340 12.24022 95.32491 15.06659 
-12.91151      19.41198 
1 1 1 5   39 11 o 39.82812 15.64885 13.40102       18.54075  -9.444214      
24.87718  41.94643       27.80811  34.62478 15.82274 58.45002 19.72318 
-23.82524      25.28562 
1 1 1 5   39 12 o 109.2643 8.056329 126.9647       17.77431  134.6755       
21.23131  108.8989       32.49796  111.6539 9.439301 93.82779 17.68085 
17.82607       20.04278 
1 1 1 5   39 13 o 43.28460 14.68628 22.34883       15.41930  20.75056       
17.85259  27.04246       30.59354  42.50591 15.66835 48.26052 19.70374 
-5.754612      25.17408 
1 1 1 5   39 14 o 42.12974 14.01743 22.20258       14.04841  30.32673       
15.67176  -11.03040      31.69665  48.35264 14.66297 35.36130 16.71634 
12.99134       22.23597 
1 1 1 5   40 0  o 105.5148 8.163814 115.8404       17.38061  139.6402       
23.57889  87.52136       25.72026  115.2184 10.16782 89.30409 14.67263 
25.91434       17.85135 
1 1 1 5   40 1  o 155.0255 3.834403 245.3370       12.08794  256.9586       
19.04454  237.4962       15.64291  158.2192 5.919156 152.3051 5.050701 
5.914078       7.781130 
1 1 1 5   40 2  o 45.96358 8.402848 22.55711       7.564591  28.79189       
12.70711  19.13474       9.414543  51.14294 12.35640 41.90902 10.93240 
9.233917       16.49842 
1 1 1 5   40 3  o 128.1608 4.207687 167.8858       10.96604  183.0482       
16.35379  155.4984       14.78175  133.4559 6.026001 123.0291 5.908358 
10.42683       8.439276 
1 1 1 5   40 4  o 54.19107 8.936595 31.35212       9.504738  50.07572       
12.88262  8.984373       14.08059  68.62023 9.485759 35.07458 13.67858 
33.54565       16.64581 
1 1 1 5   40 5  o 50.10744 10.51064 27.38380       10.36800  30.69701       
13.74903  23.01598       15.78630  52.49222 12.95835 46.08466 14.83050 
6.407558       19.69423 
1 1 1 5   40 6  o 132.8490 6.403354 182.0814       17.29884  202.2592       
26.26375  166.6200       22.99027  138.5901 9.374207 125.8882 9.040858 
12.70193       13.02355 
1 1 1 5   40 7  o 35.41418 12.75813 11.86831       11.74008  5.138786       
15.73088  20.32873       17.63831  33.84484 14.00640 44.44567 15.67733 
-10.60083      21.02280 
1 1 1 5   40 8  o 51.45749 12.73546 29.71359       13.25455  14.68541       
17.19037  51.74721       20.81494  40.42111 15.27808 67.01310 15.57116 
-26.59199      21.81469 
1 1 1 5   40 9  o 132.4907 6.608980 181.8485       17.80620  177.6706       
22.94446  188.1748       28.23409  129.7987 8.743656 132.5239 10.56456 
-2.725204      13.71355 
1 1 1 5   40 10 o 54.15955 13.80968 33.79506       15.25605  33.23736       
19.02662  34.79921       25.53073  53.18728 16.16248 54.42796 18.88329 
-1.240677      24.85567 
1 1 1 5   40 11 o 144.7215 7.692078 220.9840       22.55619  190.5747       
29.64585  262.7886       34.75948  131.7446 11.17095 154.8787 11.11029 
-23.13406      15.75528 
1 1 1 5   40 12 o 64.24412 12.74490 48.17082       16.06243  41.76506       
18.80957  65.42265       30.86816  57.95101 15.61099 68.43414 20.53986 
-10.48312      25.79901 
1 1 1 5   40 13 o 44.39679 14.32866 24.58602       14.72795  20.81975       
16.94057  36.24504       29.80597  41.65981 15.27697 50.69431 19.86488 
-9.034500      25.05992 
1 1 1 5   40 14 o 31.97091 13.11564 8.883078       13.63679  8.577006       
15.24830  10.10584       30.47755  32.63540 13.67087 39.14383 17.74173 
-6.508438      22.39780 
1 1 1 5   41 0  o 104.1273 8.205305 113.0965       17.23367  107.6186       
23.18180  119.8642       25.76681  100.3219 11.57561 105.6537 12.21831 
-5.331749      16.83098 
1 1 1 5   41 1  o 31.03492 9.169986 10.21499       6.188931  -2.319646      
9.580623  19.19149       8.107586  23.39717 10.31774 42.04276 9.682866 
-18.64560      14.14969 
1 1 1 5   41 2  o 82.49113 4.967514 69.97895       8.294067  64.25455       
12.29638  74.75742       11.23457  78.36953 7.820182 84.92444 6.556133 
-6.554909      10.20481 
1 1 1 5   41 3  o 85.95394 5.239023 76.08213       9.113587  97.16412       
13.77230  59.65897       12.15567  96.71069 7.051531 75.38647 8.053933 
21.32422       10.70467 
1 1 1 5   41 4  o 86.27618 6.167695 77.07538       10.74960  100.2360       
14.32080  47.18312       16.26940  98.13590 7.226945 65.32075 12.70551 
32.81516       14.61707 
1 1 1 5   41 5  o 69.65494 8.011358 51.12519       11.14109  59.25625       
15.01695  41.17049       16.61584  74.29853 10.20896 60.43729 13.82025 
13.86124       17.18203 
1 1 1 5   41 6  o 43.60080 13.89704 20.75142       13.88700  11.54875       
23.50346  25.68719       17.21282  42.26842 17.26527 48.10011 15.48682 
-5.831680      23.19334 
1 1 1 5   41 7  o 30.87580 12.50368 5.376840       12.20069  -13.67186      
16.18390  30.45631       18.56991  26.14557 12.22842 51.66581 16.01594 
-25.52024      20.15055 
1 1 1 5   41 8  o 92.74286 7.812982 90.37750       14.59771  102.6517       
19.17053  73.43913       22.52021  98.03307 9.745514 80.55919 14.26923 
17.47388       17.27964 
1 1 1 5   41 9  o 37.76370 14.21339 13.12682       14.84120  11.72087       
19.94712  14.87023       22.21241  39.80312 16.03362 42.60418 17.00430 
-2.801064      23.37141 
1 1 1 5   41 10 o 57.37916 13.58431 38.25047       15.60499  40.80414       
19.24913  33.35447       26.65322  58.23837 15.83606 53.00836 19.20415 
5.230011       24.89137 
1 1 1 5   41 11 o 71.68694 11.19923 57.77539       15.79200  63.58913       
19.07755  45.12002       28.14701  74.00311 13.15935 58.21138 19.84201 
15.79173       23.80912 
1 1 1 5   41 12 o 27.97993 12.53264 -2.177794      14.70633  -2.274962      
17.10550  -1.902445      28.79490  29.92161 13.45088 37.25126 17.02303 
-7.329657      21.69585 
1 1 1 5   41 13 o 32.03073 13.22511 8.236844       13.97830  -0.7388450     
15.67118  43.17768       30.91963  28.75186 12.90366 51.94658 20.26658 
-23.19471      24.02579 
1 1 1 5   41 14 o 36.62891 13.56019 16.74113       13.39931  18.45052       
14.90408  9.535086       30.60088  37.96861 14.25266 37.89285 17.40201 
0.7575989E-01  22.49374 
1 1 1 5   42 0  o 62.16681 18.02963 44.83716       24.12385  0.000000       
0.000000  44.83716       24.12385  ?        ?        62.16681 18.02963 
0.000000       18.02963 
1 1 1 5   42 1  o 150.9455 3.961445 232.9195       12.15977  234.9642       
18.77216  231.4414       15.96087  151.0466 6.111559 150.1666 5.226751 
0.8799286      8.041771 
1 1 1 5   42 2  o 33.72062 9.749740 12.23356       7.064076  8.860323       
10.85757  14.70950       9.302064  32.42344 12.16614 37.02431 11.31205 
-4.600880      16.61257 
1 1 1 5   42 3  f 129.7425 4.256159 172.3170       11.22927  215.7629       
16.97348  138.5005       14.97482  144.7723 5.765460 115.6599 6.391688 
29.11240       8.607800 
1 1 1 5   42 4  o 79.14096 6.563292 65.18225       10.46737  67.80861       
14.10001  61.95786       15.62307  80.01274 8.811892 75.85137 10.40266 
4.161369       13.63323 
1 1 1 5   42 5  o 20.65751 9.718934 -10.43774      10.48413  -1.138541      
14.37775  -20.99673      15.32074  29.27412 12.78159 23.06792 11.09910 
6.206200       16.92805 
1 1 1 5   42 6  o 103.1616 7.889067 111.6976       16.42444  138.2352       
26.53397  95.21355       20.91236  112.8028 11.73924 93.72051 11.19431 
19.08234       16.22105 
1 1 1 5   42 7  o 36.21252 13.19200 12.51737       12.60222  17.25876       
16.88076  6.547935       18.94112  41.70106 15.25636 36.71257 15.29557 
4.988487       21.60350 
1 1 1 5   42 8  o 52.31635 13.02672 31.24131       13.80558  49.13567       
18.64299  9.513464       20.54310  65.19061 14.44320 39.01076 16.06164 
26.17984       21.60052 
1 1 1 5   42 9  o 64.46776 12.11177 46.87711       15.29521  42.03924       
19.96704  53.74730       23.79418  59.02670 16.16127 66.04267 17.45380 
-7.015972      23.78701 
1 1 1 5   42 10 o 75.65594 10.56536 63.44139       15.81115  55.46039       
19.21163  80.19449       27.83446  68.42195 14.26955 79.88853 17.60793 
-11.46658      22.66405 
1 1 1 5   42 11 o 85.66024 9.308358 80.65222       15.95353  77.06991       
18.51476  90.98007       31.43702  82.26296 11.37193 81.88450 19.21068 
0.3784637      22.32423 
1 1 1 5   42 12 o 32.44827 13.52288 7.683794       14.81129  7.182802       
17.09324  9.193385       29.67144  33.50574 14.27417 39.78870 17.81324 
-6.282959      22.82682 
1 1 1 5   42 13 o 76.57710 9.716086 67.77351       14.78967  61.80166       
16.64168  90.21342       32.25916  71.02194 11.94677 73.28685 20.72218 
-2.264908      23.91932 
1 1 1 5   43 0  o 131.7769 11.15408 185.9731       29.60933  0.000000       
0.000000  185.9731       29.60933  ?        ?        131.7769 11.15408 
0.000000       11.15408 
1 1 1 5   43 1  o 208.3213 3.608382 443.4883       15.28614  492.2344       
22.38876  400.9222       20.92147  218.9529 5.028377 197.5335 5.208349 
21.41942       7.239577 
1 1 1 5   43 2  o 28.90901 9.901581 8.222409       7.009551  12.51390       
10.75084  5.049081       9.244760  35.35968 12.25449 27.86671 11.01787 
7.492977       16.47926 
1 1 1 5   43 3  o 194.1834 3.820361 385.7342       15.08578  400.5068       
21.93660  372.4791       20.77945  197.2399 5.469190 190.2552 5.370888 
6.984756       7.665407 
1 1 1 5   43 4  o 63.53218 8.232124 42.88273       10.38542  59.24581       
14.30814  24.66297       15.09809  74.27916 9.704479 46.83394 14.42873 
27.44522       17.38865 
1 1 1 5   43 5  o 101.1442 6.154672 106.1683       12.59873  97.67185       
16.22403  119.0749       19.99614  96.16499 8.380171 105.7598 9.395510 
-9.594849      12.58979 
1 1 1 5   43 6  o 87.67883 11.86982 84.52797       20.61959  0.000000       
0.000000  84.52797       20.61959  ?        ?        87.67883 11.86982 
0.000000       11.86982 
1 1 1 5   43 7  o 90.57999 7.725340 86.50503       14.09386  84.02104       
18.38187  90.04821       21.95392  87.97552 10.48118 90.08266 12.30641 
-2.107140      16.16487 
1 1 1 5   43 8  o 33.49177 13.33827 8.239184       13.63985  6.198482       
17.69360  11.22824       21.41377  35.20961 14.73594 39.96510 16.41994 
-4.755489      22.06269 
1 1 1 5   43 9  o 90.51509 8.519663 87.91975       15.49724  77.50852       
19.29222  106.8586       26.02004  83.03430 11.75378 96.16761 13.69204 
-13.13331      18.04503 
1 1 1 5   43 10 o 55.14423 18.57237 40.56705       24.65724  40.56705       
24.65724  0.000000       0.000000  55.14423 18.57237 ?        ?        
0.000000       18.57237 
1 1 1 5   43 11 o 38.97406 14.28618 17.57901       14.81225  8.328201       
17.27479  43.26581       28.78577  34.41832 14.49111 53.97685 19.89594 
-19.55854      24.61383 
1 1 1 5   43 12 o 42.27336 14.16553 23.35877       14.34344  28.39370       
16.47139  7.561698       29.17576  45.66230 15.17750 37.90044 17.24794 
7.761864       22.97494 
1 1 1 5   43 13 o 27.27947 12.42284 -1.129106      15.16756  -1.129106      
15.16756  0.000000       0.000000  27.27947 12.42284 ?        ?        
0.000000       12.42284 
1 1 1 5   44 0  o 78.36995 16.98704 72.10232       26.29082  0.000000       
0.000000  72.10232       26.29082  ?        ?        78.36995 16.98704 
0.000000       16.98704 
1 1 1 5   44 1  o 88.96264 4.630261 81.43523       8.347597  100.2928       
11.99313  63.71448       11.62600  98.36677 6.024631 77.90184 7.428929 
20.46493       9.564787 
1 1 1 5   44 2  o 160.1200 3.884566 262.4466       12.64851  275.3195       
18.45615  251.0459       17.36873  163.4277 5.553463 156.0882 5.472007 
7.339523       7.796397 
1 1 1 5   44 3  o 137.1104 4.271217 192.7593       11.90895  190.1268       
17.47079  195.0440       16.27618  135.4894 6.340973 137.4268 5.824111 
-1.937408      8.609775 
1 1 1 5   44 4  o 119.1498 6.952130 148.1486       16.77153  148.1486       
16.77153  0.000000       0.000000  119.1498 6.952130 ?        ?        
0.000000       6.952130 
1 1 1 5   44 5  o 109.8979 5.899097 125.2600       13.13518  143.4755       
17.43194  101.3314       19.97945  117.0129 7.363447 96.85392 10.30229 
20.15902       12.66324 
1 1 1 5   44 6  o 76.14675 10.09892 63.00866       15.25208  65.48965       
23.70155  61.25515       19.92586  74.22237 16.16139 73.06936 13.91831 
1.153015       21.32862 
1 1 1 5   44 7  o 70.96501 10.03274 55.03907       14.07460  54.67552       
18.52304  55.53572       21.64967  68.76678 13.72674 67.96882 15.93963 
0.7979660      21.03557 
1 1 1 5   44 8  o 43.45444 14.16022 21.78893       14.36358  52.86397       
19.22402  -17.48300      21.61122  66.60481 14.59645 29.33249 13.84691 
37.27232       20.11947 
1 1 1 5   44 9  o 55.57362 13.06599 36.69802       14.51742  35.12555       
18.29947  39.36818       23.84602  52.90023 15.80053 54.66542 18.26503 
-1.765182      24.15094 
1 1 1 5   44 10 o 131.7208 10.42364 195.3687       27.69257  195.3687       
27.69257  0.000000       0.000000  131.7208 10.42364 ?        ?        
0.000000       10.42364 
1 1 1 5   44 11 o 35.15295 14.58574 11.39712       17.12312  11.39712       
17.12312  0.000000       0.000000  35.15295 14.58574 ?        ?        
0.000000       14.58574 
1 1 1 5   44 12 o 42.39259 14.02776 24.54343       14.07617  19.87232       
15.64416  44.40393       32.25799  38.69751 14.58724 48.69723 20.09723 
-9.999718      24.83317 
1 1 1 5   45 0  o 137.1139 7.542233 196.8494       20.94884  179.4946       
28.87986  216.1215       30.43342  128.7364 11.14154 141.7061 10.63879 
-12.96979      15.40512 
1 1 1 5   45 1  o 121.7580 4.041876 151.9272       10.00765  152.7259       
14.12290  151.1217       14.18320  121.6034 5.711191 120.9447 5.766813 
0.6587296      8.116270 
1 1 1 5   45 2  o 79.12227 5.430693 64.87272       8.684972  57.61294       
12.92764  70.84464       11.72505  73.40250 8.838445 82.17452 7.085864 
-8.772018      11.32818 
1 1 1 5   45 3  o 46.55874 9.508355 23.79676       8.698016  14.93568       
13.30653  30.40755       11.49339  38.26670 13.60403 52.18420 11.16807 
-13.91749      17.60101 
1 1 1 5   45 4  o 37.06218 13.73475 13.14157       13.75354  13.14157       
13.75354  0.000000       0.000000  37.06218 13.73475 ?        ?        
0.000000       13.73475 
1 1 1 5   45 5  o 84.99648 7.429365 76.22433       12.71213  81.43595       
16.91912  69.46836       19.26351  86.77265 9.757583 78.61929 12.46497 
8.153366       15.82991 
1 1 1 5   45 6  o 51.93102 13.87134 31.66466       14.92602  24.37686       
23.15945  36.84245       19.52100  47.22213 17.75880 55.04214 16.29194 
-7.820019      24.09984 
1 1 1 5   45 7  o 41.98641 13.49869 20.23667       13.08071  17.49779       
17.25440  23.93810       20.05848  40.96624 15.34367 45.79102 16.64899 
-4.824780      22.64105 
1 1 1 5   45 8  o 49.12595 14.07292 29.27387       14.77917  45.61562       
19.39932  6.669697       22.81559  60.34711 15.66934 37.59579 16.25978 
22.75132       22.58116 
1 1 1 5   45 9  o 22.52395 11.02956 -26.97190      17.00077  -26.97190      
17.00077  0.000000       0.000000  22.52395 11.02956 ?        ?        
0.000000       11.02956 
1 1 1 5   45 10 o 45.79816 17.78286 28.96034       23.71812  28.96034       
23.71812  0.000000       0.000000  45.79816 17.78286 ?        ?        
0.000000       17.78286 
1 1 1 5   45 11 o 42.95675 13.95909 24.92433       13.96206  32.44488       
16.18002  2.995167       27.62901  48.03038 14.95988 35.19864 16.29691 
12.83174       22.12210 
1 1 1 5   45 12 o 25.28027 11.62781 -2.612296      13.73505  -8.397265      
15.70356  16.22025       28.33361  24.78967 11.73320 37.43250 17.02038 
-12.64283      20.67272 
1 1 1 5   46 0  o 106.7513 9.139482 121.7018       19.64892  138.2843       
26.74279  102.2480       28.96568  112.0293 11.92199 93.53916 15.79004 
18.49009       19.78533 
1 1 1 5   46 1  o 47.93344 7.797626 24.67387       7.339406  14.84502       
10.11206  35.61585       10.66932  36.96231 11.86694 57.16547 9.512346 
-20.20316      15.20884 
1 1 1 5   46 2  o 31.77920 10.38452 10.64230       7.722953  -0.4669153     
11.70969  19.19497       10.27435  26.59371 11.57486 41.30211 11.70031 
-14.70840      16.45827 
1 1 1 5   46 3  o 61.66177 7.389097 40.35672       9.080745  44.32365       
13.83455  37.35388       12.03658  63.07940 11.19516 58.05656 10.58533 
5.022842       15.40717 
1 1 1 5   46 4  o 30.44168 13.00142 2.317146       14.24552  2.317146       
14.24552  0.000000       0.000000  30.44168 13.00142 ?        ?        
0.000000       13.00142 
1 1 1 5   46 5  o 88.64925 7.138761 82.96456       12.76007  84.37585       
16.94716  81.11720       19.38931  88.11928 9.613435 85.26040 11.47449 
2.858879       14.96937 
1 1 1 5   46 6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 5   46 7  o 53.62193 15.31624 35.93937       17.53132  35.93937       
17.53132  0.000000       0.000000  53.62193 15.31624 ?        ?        
0.000000       15.31624 
1 1 1 5   46 8  o 24.99553 11.60656 -8.182694      14.16453  -0.2446616     
18.57607  -19.20926      21.89361  31.65653 14.13905 28.31836 13.52995 
3.338171       19.56968 
1 1 1 5   46 9  o 50.24637 13.44818 31.98239       14.01242  20.37383       
17.03261  56.29203       24.64797  40.66459 15.24198 61.90811 18.30223 
-21.24352      23.81784 
1 1 1 5   46 10 o 37.40881 14.76443 17.08894       16.57364  17.08894       
16.57364  0.000000       0.000000  37.40881 14.76443 ?        ?        
0.000000       14.76443 
1 1 1 5   46 11 o 86.23251 10.01255 88.99828       17.23088  69.91872       
20.84824  130.1231       30.60817  70.03887 15.08366 93.23075 16.76076 
-23.19188      22.54861 
1 1 1 5   47 0  o 91.55605 10.10945 91.14774       18.50808  59.22868       
24.93606  130.3009       27.61762  69.08038 17.67768 107.6175 12.87541 
-38.53717      21.86953 
1 1 1 5   47 1  o 75.33643 5.012650 58.80992       7.635504  57.72599       
10.00667  60.32056       11.81326  74.08916 6.714720 75.31152 7.827976 
-1.222366      10.31332 
1 1 1 5   47 2  o 64.80898 6.712426 44.30479       8.718138  55.22438       
12.90391  35.13454       11.82521  71.43781 9.088408 56.06120 10.76410 
15.37661       14.08776 
1 1 1 5   47 3  o 36.29763 12.77516 13.82639       11.70617  7.537494       
13.26655  35.94241       24.87852  32.56258 13.09032 53.74793 18.64092 
-21.18536      22.77807 
1 1 1 5   47 4  o 94.12447 8.696760 95.37517       16.45785  95.37517       
16.45785  0.000000       0.000000  94.12447 8.696760 ?        ?        
0.000000       8.696760 
1 1 1 5   47 5  o 175.1924 5.151662 318.2103       18.35329  330.0732       
23.96814  301.3943       28.53640  177.2937 6.647979 167.8762 8.359083 
9.417480       10.68035 
1 1 1 5   47 6  o 77.55814 10.48158 67.58073       16.10777  40.16326       
24.46218  88.56908       21.40280  54.57064 18.49818 87.39155 12.39041 
-32.82091      22.26443 
1 1 1 5   47 7  o 32.29672 12.94557 8.812857       12.93348  6.087157       
16.58064  13.04855       20.66922  33.02080 14.06283 38.45657 15.99642 
-5.435776      21.29903 
1 1 1 5   47 8  o 33.05229 13.25800 10.18518       13.57601  2.740867       
17.22822  22.38074       22.05104  31.33853 13.82700 42.44682 16.94213 
-11.10829      21.86828 
1 1 1 5   47 9  o 70.29265 15.59169 68.17725       21.70368  101.3956       
41.22876  55.44289       25.52701  69.35456 24.00012 58.29214 18.86934 
11.06242       30.52962 
1 1 1 5   47 10 o 51.97572 14.80365 39.18135       16.40165  39.18135       
16.40165  0.000000       0.000000  51.97572 14.80365 ?        ?        
0.000000       14.80365 
1 1 1 5   47 11 o 25.32207 11.52296 -0.9925592E-01 13.01926  -8.117593      
15.00200  24.36331       26.20343  23.91034 11.36062 38.38721 16.98881 
-14.47687      20.43730 
1 1 1 5   48 0  o 29.44273 13.28815 -4.712843      16.88822  10.77995       
23.34822  -21.71270      24.45747  40.28104 16.89727 30.49550 14.49413 
9.785542       22.26202 
1 1 1 5   48 1  o 47.09484 7.798506 24.00796       7.207199  13.92970       
9.447718  38.03698       11.14674  35.57142 11.47576 58.72529 9.670787 
-23.15387      15.00724 
1 1 1 5   48 2  o 72.62635 6.294287 55.48614       9.203997  71.79154       
13.57393  41.60915       12.52240  81.73989 8.280464 61.00959 10.47048 
20.73030       13.34905 
1 1 1 5   48 3  o 104.5758 7.300317 116.0591       15.42734  116.0591       
15.42734  0.000000       0.000000  104.5758 7.300317 ?        ?        
0.000000       7.300317 
1 1 1 5   48 4  o 35.20407 13.67649 11.56768       14.03470  11.56768       
14.03470  0.000000       0.000000  35.20407 13.67649 ?        ?        
0.000000       13.67649 
1 1 1 5   48 5  o 69.23124 8.666273 52.59074       11.93341  61.89114       
15.75333  40.06785       18.27990  73.76053 10.82466 55.98913 15.51777 
17.77140       18.92021 
1 1 1 5   48 6  o 113.3554 7.715308 138.9340       17.67890  116.1920       
26.08336  158.2594       24.04440  97.99754 13.44295 118.6027 10.06437 
-20.60521      16.79299 
1 1 1 5   48 7  o 33.88455 14.12027 9.588235       16.14688  -16.77911      
25.29368  27.72457       20.97749  30.40764 14.53220 45.10973 16.91382 
-14.70209      22.29938 
1 1 1 5   48 8  o 59.62255 11.89235 44.03804       13.91323  17.02317       
17.54393  89.82567       22.84018  37.55895 15.06944 83.02453 14.02807 
-45.46558      20.58822 
1 1 1 5   48 9  o 27.04849 12.37557 -1.208947      15.27925  -0.3951717     
19.80324  -2.405952      24.01774  29.97794 13.85064 31.35465 14.73846 
-1.376715      20.22529 
1 1 1 5   48 10 o 29.01832 12.93498 5.209366       15.46422  5.209366       
15.46422  0.000000       0.000000  29.01832 12.93498 ?        ?        
0.000000       12.93498 
1 1 1 5   49 0  o 60.52533 14.75932 44.70776       18.00250  55.00275       
24.96263  33.55049       25.98701  64.59959 18.21563 51.43356 18.91220 
13.16603       26.25796 
1 1 1 5   49 1  o 26.75225 9.608969 6.926298       6.654962  7.455485       
9.030551  6.297328       9.845204  29.04177 11.05028 28.73573 11.36732 
0.3060360      15.85322 
1 1 1 5   49 2  o 20.03836 9.104102 -3.732024      8.086052  -2.573732      
12.06043  -4.677877      10.89846  25.41077 11.36792 23.14186 10.53544 
2.268913       15.49920 
1 1 1 5   49 3  o 59.37733 8.583251 38.77209       10.06313  36.71860       
14.14755  40.87500       14.31679  55.35396 12.82047 58.78087 12.36891 
-3.426910      17.81444 
1 1 1 5   49 4  o 37.30761 16.12752 8.671446       22.42465  8.671446       
22.42465  0.000000       0.000000  37.30761 16.12752 ?        ?        
0.000000       16.12752 
1 1 1 5   49 5  o 85.67655 7.243064 79.26704       12.50108  75.04877       
16.63575  84.73906       18.94736  80.99789 10.33549 85.34238 11.18716 
-4.344490      15.23073 
1 1 1 5   49 6  o 52.43046 13.89573 35.71775       15.05416  24.38080       
22.65178  44.68630       20.14723  42.97965 17.16598 56.16388 16.53096 
-13.18422      23.83156 
1 1 1 5   49 7  o 21.34180 10.30230 -15.15601      13.45821  -1.234294      
17.80153  -33.72804      20.56083  29.27597 13.38090 23.33776 11.56040 
5.938204       17.68307 
1 1 1 5   49 8  o 28.77369 12.28793 6.210063       12.72283  8.578029       
15.27984  0.8568954      22.97400  31.27244 13.41345 31.69814 14.73970 
-0.4257050     19.92936 
1 1 1 5   49 9  o 21.33356 10.40371 -16.60687      14.67771  -11.76409      
18.90638  -23.95326      23.28617  25.48604 12.27946 25.52750 12.58099 
-0.4145622E-01 17.58028 
1 1 1 5   50 0  o 28.88118 13.38026 -8.704677      18.66703  -4.440058      
28.02784  -12.10443      25.02497  36.17700 16.62890 32.39787 15.16960 
3.779133       22.50860 
1 1 1 5   50 1  o 40.90939 15.78075 18.70839       18.58311  31.10017       
26.47895  6.681268       26.08643  48.68994 18.82181 38.42422 16.98070 
10.26572       25.34965 
1 1 1 5   50 2  o 52.63588 8.481929 30.73454       8.770265  33.64721       
13.19120  28.42704       11.74111  52.77541 12.48637 48.73287 11.94126 
4.042538       17.27725 
1 1 1 5   50 3  o 44.29667 10.66491 23.09370       9.491602  22.11659       
13.27021  24.11719       13.58150  42.19530 13.59930 43.85175 13.71387 
-1.656448      19.31350 
1 1 1 5   50 4  o 44.15456 14.20506 25.22186       14.48372  25.22186       
14.48372  0.000000       0.000000  44.15456 14.20506 ?        ?        
0.000000       14.20506 
1 1 1 5   50 5  o 42.02864 12.51149 22.38699       11.48815  20.34721       
15.15330  25.14398       17.61703  39.75353 14.46821 42.92799 15.60369 
-3.174461      21.27920 
1 1 1 5   50 6  o 84.49809 8.897986 81.78947       15.05958  72.50894       
21.60986  90.55212       20.99824  72.35251 15.17211 84.52637 12.60140 
-12.17387      19.72279 
1 1 1 5   50 7  o 122.5033 6.754264 165.2285       16.76084  152.0105       
21.28414  186.8060       27.19416  113.7227 9.284606 122.8775 10.99945 
-9.154785      14.39416 
1 1 1 5   50 8  o 51.12200 12.59383 36.21205       13.00680  21.28878       
15.31498  74.83227       24.63722  37.41536 14.35366 64.89027 18.02600 
-27.47491      23.04267 
1 1 1 5   50 9  o 24.90356 11.30297 1.435914       12.42313  -0.3659803E-01 
14.70691  5.103796       23.21132  25.67780 11.88922 30.51828 14.38946 
-4.840488      18.66575 
1 1 1 5   51 0  o 29.28527 13.51539 -6.155834      18.77780  -18.51918      
28.44863  3.389184       24.99664  32.18605 15.39040 36.06882 16.23287 
-3.882763      22.36896 
1 1 1 5   51 1  o 42.13231 9.948339 20.70745       8.387065  21.90682       
8.891112  11.02011       25.26862  43.19707 10.27185 38.52131 16.87842 
4.675762       19.75834 
1 1 1 5   51 2  o 51.49735 8.566252 29.87711       8.655583  23.73497       
13.07433  34.66953       11.54881  43.14363 13.44933 54.04861 10.88402 
-10.90499      17.30163 
1 1 1 5   51 3  o 78.33228 6.565346 66.22762       10.36157  48.90985       
14.07290  86.73034       15.31240  63.81406 11.25606 87.88788 8.681129 
-24.07382      14.21481 
1 1 1 5   51 4  f 37.77478 13.61199 18.30743       13.36491  18.30743       
13.36491  0.000000       0.000000  37.77478 13.61199 ?        ?        
0.000000       13.61199 
1 1 1 5   51 5  o 88.63579 6.918896 86.46326       12.37207  67.82061       
15.91232  114.9611       19.67368  74.58061 10.80682 98.44247 9.964967 
-23.86186      14.69993 
1 1 1 5   51 6  o 20.29249 9.910187 -17.20725      13.45360  -9.801769      
24.01021  -20.59642      16.24300  28.96145 13.92465 21.88143 10.72869 
7.080027       17.57841 
1 1 1 5   51 7  o 47.71004 12.78926 32.42211       12.66118  26.55799       
15.32640  45.02448       22.46802  40.68365 14.58548 47.84681 17.58640 
-7.163151      22.84770 
1 1 1 5   51 8  o 21.31313 10.34192 -12.26188      14.01561  -21.21226      
18.19802  0.7877596      21.97367  22.26349 11.00043 28.80871 13.70585 
-6.545227      17.57441 
1 1 1 5   52 0  o 28.59118 13.24363 -5.209970      18.27621  -6.365153      
27.74142  -4.324104      24.29336  33.51306 15.78003 32.39200 15.09388 
1.121059       21.83654 
1 1 1 5   52 1  o 26.40064 10.15217 6.596192       7.672686  6.338598       
8.093573  8.881462       24.10688  26.46741 10.35702 36.04445 16.10233 
-9.577038      19.14558 
1 1 1 5   52 2  o 28.74431 10.43877 9.063972       7.882006  6.822393       
12.47588  10.55305       10.16839  29.51775 12.36538 30.97447 11.74008 
-1.456713      17.05087 
1 1 1 5   52 3  o 35.69097 11.06127 15.94939       8.858176  9.481753       
12.59582  22.27829       12.45999  30.89758 12.63207 40.62698 13.18611 
-9.729403      18.26041 
1 1 1 5   52 4  o 21.90841 10.45876 -10.31316      13.02614  -10.31316      
13.02614  0.000000       0.000000  21.90841 10.45876 ?        ?        
0.000000       10.45876 
1 1 1 5   52 5  o 73.96687 7.800466 62.86329       11.55607  49.47313       
14.70722  84.46996       18.68235  60.64074 12.34619 80.43528 11.77005 
-19.79454      17.05762 
1 1 1 5   52 6  o 31.20244 13.35593 11.88902       15.09324  9.612855       
26.22797  13.01600       18.45528  32.62516 15.35635 32.33040 14.28541 
0.2947540      20.97357 
1 1 1 5   52 7  o 27.68490 11.67947 8.606041       11.25788  10.43065       
14.20867  5.528711       18.45253  29.47849 12.79020 28.68595 13.29452 
0.7925358      18.44813 
1 1 1 5   53 0  o 27.34751 12.71999 -4.258128      17.12736  -22.79375      
27.25224  7.842693       22.01943  28.78784 14.06874 33.86567 15.23897 
-5.077826      20.74020 
1 1 1 5   53 1  o 25.93111 12.34449 -10.02316      17.88232  -1.604668      
27.96416  -15.84736      23.25962  32.93318 15.60773 27.79169 13.44662 
5.141485       20.60129 
1 1 1 5   53 2  o 59.16936 7.252789 39.42129       8.544045  48.97567       
13.17995  32.49572       11.22122  62.73838 10.71544 50.37064 11.24020 
12.36773       15.52942 
1 1 1 5   53 3  o 23.89223 10.12687 3.704333       8.527679  -11.25884      
12.16754  18.14979       11.95519  20.55720 9.891099 35.99715 12.88435 
-15.43996      16.24316 
1 1 1 5   53 4  o 32.16596 13.64736 13.24366       15.51202  13.24366       
15.51202  0.000000       0.000000  32.16596 13.64736 ?        ?        
0.000000       13.64736 
1 1 1 5   53 5  o 25.92969 11.05648 6.099937       10.27212  6.487121       
13.58265  5.582612       15.70031  27.62945 12.22942 28.06067 12.72464 
-0.4312172     17.64866 
1 1 1 5   53 6  o 34.25786 13.81532 20.01520       14.82745  53.93279       
27.14004  5.584221       17.70296  44.02109 18.32219 28.02477 12.99996 
15.99632       22.46557 
1 1 1 5   54 0  o 42.61735 15.72088 30.51065       17.97773  22.88862       
27.01967  36.56532       24.08187  37.62554 16.91052 43.35770 17.56382 
-5.732162      24.38142 
1 1 1 5   54 1  o 25.95330 12.25153 -4.499788      16.91710  -27.05787      
25.13572  14.17947       22.87284  25.65073 12.71964 33.97495 15.38696 
-8.324211      19.96366 
1 1 1 5   54 2  o 40.48013 9.415502 20.60198       7.604373  22.60605       
12.24159  19.34273       9.703678  38.74171 13.08603 37.28064 11.58096 
1.461071       17.47463 
1 1 1 5   54 3  o 17.86221 8.436906 -5.426777      8.043530  -11.47594      
11.72791  -0.5416056E-01 11.05264  19.58274 9.492584 23.12592 10.55970 
-3.543180      14.19917 
1 1 1 5   54 4  o 26.29096 11.72911 5.468203       12.74405  5.468203       
12.74405  0.000000       0.000000  26.29096 11.72911 ?        ?        
0.000000       11.72911 
1 1 1 5   54 5  o 29.50145 11.90363 12.66961       11.01433  5.696391       
15.57122  19.65249       15.58202  26.87547 12.36862 33.10907 13.84034 
-6.233601      18.56173 
1 1 1 5   55 0  o 31.39403 13.83668 13.24314       17.20708  40.41912       
27.27553  -4.722674      22.17706  40.29288 17.59826 27.37627 13.21765 
12.91661       22.00920 
1 1 1 5   55 1  o 18.49422 9.299136 -31.96488      15.66646  0.1718915      
24.23361  -55.03944      20.53448  28.68814 13.84247 18.95827 9.652271 
9.729864       16.87543 
1 1 1 5   55 2  o 25.47227 9.059005 8.069552       5.901064  2.293564       
7.981489  15.03366       8.764024  21.57268 9.468272 32.30959 11.07160 
-10.73691      14.56806 
1 1 1 5   55 3  o 16.42229 7.899301 -7.260098      7.747147  7.384284       
11.46593  -19.56157      10.50878  26.18732 11.42453 16.01294 7.986660 
10.17438       13.93939 
1 1 1 5   55 4  o 22.21932 10.03242 2.194624       9.638608  25.93394       
14.35691  -17.28500      13.00521  36.50901 13.92315 18.50316 9.170676 
18.00585       16.67199 
1 1 1 5   56 0  o 40.68016 15.31539 35.17743       17.23411  44.84330       
27.86588  29.19005       21.93162  37.80363 17.06463 34.95071 15.50150 
2.852921       23.05424 
1 1 1 5   56 1  o 28.27666 12.93945 10.72571       16.71203  17.76244       
27.99854  6.831140       20.82953  30.62237 14.80091 27.74021 13.23799 
2.882156       19.85727 
1 1 1 5   56 2  o 26.71323 8.851377 9.539455       5.603712  10.36364       
7.589386  8.551542       8.309122  27.10035 10.17106 25.51081 10.32299 
1.589540       14.49188 
1 1 1 5   57 0  o 26.11605 12.21624 8.206485       16.16084  5.700871       
24.69095  10.08440       21.37563  26.65459 13.10095 27.19357 13.09069 
-0.5389805     18.52028 
1 1 1 6   0  0  o 148.1588 6.628510 224.7125       19.87977  224.7125       
19.87977  224.7125       19.87977  148.1588 6.628510 148.1588 6.628510 
0.000000       0.000000 
1 1 1 6   0  1  o 101.4132 5.499254 105.5487       11.26475  105.5487       
11.26475  105.5487       11.26475  101.4132 5.499254 101.4132 5.499254 
0.000000       0.000000 
1 1 1 6   0  2  o 23.30349 14.81405 1.573817       15.34584  1.573817       
15.34584  1.573817       15.34584  23.30349 14.81405 23.30349 14.81405 
0.000000       0.000000 
1 1 1 6   0  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 6   0  4  o 91.31053 8.384292 86.96750       15.26644  86.96750       
15.26644  86.96750       15.26644  91.31053 8.384292 91.31053 8.384292 
0.000000       0.000000 
1 1 1 6   0  5  o 26.39147 15.75581 7.426287       14.95261  7.426287       
14.95261  7.426287       14.95261  26.39147 15.75581 26.39147 15.75581 
0.000000       0.000000 
1 1 1 6   0  6  o 113.3306 8.727125 132.9974       19.83840  132.9974       
19.83840  132.9974       19.83840  113.3306 8.727125 113.3306 8.727125 
0.000000       0.000000 
1 1 1 6   0  7  o 384.8180 6.598242 1507.762       51.59968  1507.762       
51.59968  1507.762       51.59968  384.8180 6.598242 384.8180 6.598242 
0.000000       0.000000 
1 1 1 6   0  8  o 541.6813 11.08785 2992.672       122.0202  2992.672       
122.0202  2992.672       122.0202  541.6813 11.08785 541.6813 11.08785 
0.000000       0.000000 
1 1 1 6   0  9  o 255.5860 6.949658 666.3369       36.05996  666.3369       
36.05996  666.3369       36.05996  255.5860 6.949658 255.5860 6.949658 
0.000000       0.000000 
1 1 1 6   0  10 o 140.1751 9.740598 203.2270       27.45775  203.2270       
27.45775  203.2270       27.45775  140.1751 9.740598 140.1751 9.740598 
0.000000       0.000000 
1 1 1 6   0  11 o 274.9135 6.841340 771.4041       38.19272  771.4041       
38.19272  771.4041       38.19272  274.9135 6.841340 274.9135 6.841340 
0.000000       0.000000 
1 1 1 6   0  12 o 393.0063 6.983537 1576.280       55.77211  1576.280       
55.77211  1576.280       55.77211  393.0063 6.983537 393.0063 6.983537 
0.000000       0.000000 
1 1 1 6   0  13 o 349.3351 6.929761 1246.560       49.18426  1246.560       
49.18426  1246.560       49.18426  349.3351 6.929761 349.3351 6.929761 
0.000000       0.000000 
1 1 1 6   0  14 o 343.9128 10.32563 1217.273       72.06580  1217.273       
72.06580  1217.273       72.06580  343.9128 10.32563 343.9128 10.32563 
0.000000       0.000000 
1 1 1 6   0  15 f 88.57159 15.23082 88.21919       24.99825  88.21919       
24.99825  88.21919       24.99825  88.57159 15.23082 88.57159 15.23082 
0.000000       0.000000 
1 1 1 6   0  16 o 21.18887 14.96348 -29.69188      26.00633  -29.69188      
26.00633  -29.69188      26.00633  21.18887 14.96348 21.18887 14.96348 
0.000000       0.000000 
1 1 1 6   0  17 o 21.96211 15.49189 -30.03680      27.61223  -30.03680      
27.61223  -30.03680      27.61223  21.96211 15.49189 21.96211 15.49189 
0.000000       0.000000 
1 1 1 6   0  18 o 22.85553 15.92303 -21.18689      26.62512  -21.18689      
26.62512  -21.18689      26.62512  22.85553 15.92303 22.85553 15.92303 
0.000000       0.000000 
1 1 1 6   0  19 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 6   0  20 o 96.70738 14.15761 110.4918       26.09614  110.4918       
26.09614  110.4918       26.09614  96.70738 14.15761 96.70738 14.15761 
0.000000       0.000000 
1 1 1 6   1  0  o 289.6294 4.109593 853.4623       24.20432  870.9609       
42.53518  845.0827       29.43461  292.3938 7.153666 288.1585 5.023141 
4.235291       8.741103 
1 1 1 6   1  1  o 317.0519 3.707809 1022.591       23.90557  996.9064       
33.28901  1049.940       34.35117  312.9665 5.230600 321.1815 5.259440 
-8.214996      7.417607 
1 1 1 6   1  2  o 341.7514 5.590686 1188.713       38.85321  1155.850       
54.19209  1223.473       55.73382  336.8253 7.911880 346.5385 7.908897 
-9.713135      11.18698 
1 1 1 6   1  3  o 407.8256 4.321033 1691.953       35.83551  1682.075       
50.52359  1701.953       50.83597  406.5314 6.111512 408.9264 6.113284 
-2.394958      8.644237 
1 1 1 6   1  4  o 263.6176 4.453480 706.9070       23.87401  673.1765       
28.78682  781.2185       42.72774  257.2214 5.503452 277.0110 7.585104 
-19.78955      9.371327 
1 1 1 6   1  5  f 524.8764 5.155636 2802.535       55.02889  2765.164       
76.88041  2841.795       78.80032  521.2386 7.253167 528.4061 7.333458 
-7.167480      10.31446 
1 1 1 6   1  6  o 558.9780 5.429502 3178.625       61.71720  3141.806       
86.50695  3216.793       88.07682  555.5867 7.656807 562.1743 7.704407 
-6.587585      10.86207 
1 1 1 6   1  7  o 424.9413 4.842330 1836.889       41.84415  1801.362       
58.37118  1874.446       60.01622  420.7147 6.822749 429.1612 6.876964 
-8.446564      9.687236 
1 1 1 6   1  8  o 408.2978 7.093873 1697.177       58.89954  1712.420       
81.98287  1680.917       84.67542  409.8872 9.835748 406.0563 10.25462 
3.830872       14.20912 
1 1 1 6   1  9  o 281.0005 4.807192 803.4752       27.46945  848.5289       
39.71214  762.1417       38.03730  288.6616 6.765234 273.5687 6.837414 
15.09293       9.618660 
1 1 1 6   1  10 o 183.2913 5.598247 342.0880       20.86629  381.1292       
29.80180  304.5422       29.22544  193.3508 7.579582 172.7887 8.317527 
20.56204       11.25306 
1 1 1 6   1  11 o 153.7135 6.097762 240.7968       19.06048  224.7571       
26.80608  257.1995       27.10764  148.0423 8.946246 158.4728 8.442169 
-10.43042      12.30063 
1 1 1 6   1  12 o 251.1861 4.881389 642.7297       24.93391  653.8110       
35.74958  632.2330       34.79360  253.0990 6.945910 248.8970 6.874295 
4.201920       9.772492 
1 1 1 6   1  13 o 84.79588 9.658594 74.67950       16.35765  93.08176       
23.50171  57.38779       22.78152  94.18428 12.58551 72.92699 15.81710 
21.25729       20.21325 
1 1 1 6   1  14 o 238.1554 7.879062 580.6395       38.15807  524.2276       
52.31328  644.7776       55.78080  225.1587 11.46332 250.1687 10.96479 
-25.00999      15.86298 
1 1 1 6   1  15 o 170.0734 6.221197 295.5675       21.51601  310.1781       
30.45421  281.0066       30.40234  173.8306 8.615288 165.1246 9.089064 
8.705917       12.52335 
1 1 1 6   1  16 o 157.2027 7.193972 253.1453       22.99747  255.4482       
33.00563  250.9724       32.06158  156.9566 10.39979 155.6312 10.18685 
1.325409       14.55773 
1 1 1 6   1  17 o 267.3694 5.878842 731.0186       31.96355  699.4200       
45.23708  762.5229       45.16956  260.7056 8.532823 272.3529 8.155723 
-11.64728      11.80360 
1 1 1 6   1  18 o 88.06593 12.06258 82.69659       21.03452  61.32010       
29.76735  104.0156       29.72730  73.34097 19.58873 97.61909 15.49257 
-24.27811      24.97474 
1 1 1 6   1  19 o 68.28063 14.53068 52.14003       19.55644  97.65538       
28.13988  9.620210       27.19813  93.70938 15.29452 44.11943 18.35067 
49.58995       23.88869 
1 1 1 6   1  20 o 33.79604 14.15960 4.533701       16.36280  2.849035       
23.08144  6.235722       23.20002  37.94654 16.38292 39.41236 16.70418 
-1.465820      23.39721 
1 1 1 6   2  0  o 245.8925 3.927849 615.1291       19.64046  571.0478       
33.34741  638.5412       24.30273  236.7722 6.925961 250.4934 4.770977 
-13.72124      8.410181 
1 1 1 6   2  1  o 159.0246 3.397258 257.2372       10.98612  250.7247       
15.42151  263.9480       15.65454  156.9647 4.831406 161.0522 4.779939 
-4.087448      6.796345 
1 1 1 6   2  2  o 290.9712 4.292693 861.3440       25.39985  913.9120       
45.95890  838.2269       30.47725  299.5348 7.545203 286.9995 5.222075 
12.53528       9.176064 
1 1 1 6   2  3  o 426.0253 6.260068 1847.339       54.23328  1847.339       
54.23328  0.000000       0.000000  426.0253 6.260068 ?        ?        
0.000000       6.260068 
1 1 1 6   2  4  o 552.2540 5.247723 3102.875       58.93335  3063.435       
67.36667  3231.479       121.6481  548.6788 6.037755 563.0504 10.62445 
-14.37158      12.22021 
1 1 1 6   2  5  o 62.70717 9.134712 40.88235       11.30613  39.12021       
15.75404  42.75382       16.23538  60.76788 13.13194 63.59524 12.99311 
-2.827362      18.47346 
1 1 1 6   2  6  o 368.4874 4.450331 1381.086       33.34774  1349.634       
46.56361  1414.204       47.78163  364.2032 6.287116 372.8129 6.302584 
-8.609680      8.902268 
1 1 1 6   2  7  o 881.4764 7.706187 7909.739       138.1343  8040.914       
198.2716  7786.018       192.5567  888.2094 10.97725 874.0455 10.83361 
14.16388       15.42294 
1 1 1 6   2  8  o 492.3990 7.497220 2468.749       75.07043  2373.215       
102.0006  2581.654       110.8864  482.4596 10.39658 503.1411 10.83770 
-20.68152      15.01814 
1 1 1 6   2  9  o 226.0360 5.110382 519.9489       23.48997  514.0094       
33.08737  525.9844       33.35389  224.6412 7.243050 227.2443 7.217755 
-2.603104      10.22535 
1 1 1 6   2  10 o 226.7403 5.758484 523.5446       26.55145  529.9119       
44.66484  520.0648       33.01905  227.7962 9.642015 225.8877 7.188208 
1.908554       12.02659 
1 1 1 6   2  11 o 263.3907 4.817235 706.4055       25.80178  695.7819       
36.15282  717.4340       36.83521  261.2135 6.806048 265.2441 6.829139 
-4.030609      9.641547 
1 1 1 6   2  12 o 160.9881 5.793310 264.2188       18.96583  259.4045       
27.04881  268.8748       26.60029  159.0650 8.391927 162.1985 8.064698 
-3.133423      11.63889 
1 1 1 6   2  13 o 88.37296 9.412748 80.95544       16.65525  83.96629       
22.87232  77.55682       24.30067  89.28030 12.97807 85.37234 14.51720 
3.907959       19.47253 
1 1 1 6   2  14 o 248.0817 6.112238 628.3548       30.83518  633.3249       
54.47857  626.0121       37.40311  247.9777 10.80343 247.3743 7.435356 
0.6033478      13.11483 
1 1 1 6   2  15 o 92.88886 9.979889 89.84028       18.55569  93.33655       
26.70378  86.57596       25.80281  93.53584 14.50925 89.98677 14.60099 
3.549065       20.58415 
1 1 1 6   2  16 o 168.1511 6.913020 289.4760       23.63845  226.8868       
33.11945  354.4676       33.74907  147.6725 11.11031 185.6443 8.939818 
-37.97185      14.26041 
1 1 1 6   2  17 o 213.4568 6.330789 466.3732       27.48017  489.0907       
39.42494  444.9067       38.32408  217.8898 8.897803 207.7617 9.070994 
10.12808       12.70645 
1 1 1 6   2  18 o 75.84747 13.85585 62.61326       20.58352  63.36986       
29.34972  61.88094       28.87508  74.60953 19.22486 73.76556 19.09919 
0.8439636      27.09934 
1 1 1 6   2  19 o 70.28564 14.79880 55.35982       20.48302  48.59510       
29.80075  61.41741       28.20020  64.58393 20.33326 72.43543 18.93321 
-7.851501      27.78323 
1 1 1 6   2  20 o 39.29004 15.01227 13.66099       16.71073  21.73179       
23.00309  4.642107       24.31666  46.81728 17.67872 39.44934 16.92101 
7.367943       24.47157 
1 1 1 6   3  0  o 515.4554 4.890528 2703.949       51.26233  2855.283       
75.88931  2576.950       69.52041  529.4244 7.048962 502.9921 6.796726 
26.43234       9.792004 
1 1 1 6   3  1  o 80.70055 6.299288 66.71525       10.25569  0.000000       
0.000000  66.71525       10.25569  ?        ?        80.70055 6.299288 
0.000000       6.299288 
1 1 1 6   3  2  o 487.2992 5.470295 2416.700       54.20731  2373.687       
92.84096  2438.948       66.77051  482.4899 9.462370 489.4206 6.708895 
-6.930695      11.59938 
1 1 1 6   3  3  o 75.78889 11.62427 59.95739       17.34349  0.000000       
0.000000  59.95739       17.34349  ?        ?        75.78889 11.62427 
0.000000       11.62427 
1 1 1 6   3  4  o 217.9388 4.437338 483.1460       19.66566  506.9689       
24.87173  443.4106       32.12160  223.2219 5.479208 208.6985 7.568790 
14.52341       9.343891 
1 1 1 6   3  5  o 413.7718 4.564065 1741.449       38.40291  1714.192       
53.81566  1769.732       54.81803  410.4420 6.447711 417.0373 6.463938 
-6.595306      9.129921 
1 1 1 6   3  6  o 92.89661 7.154681 88.34587       13.41178  110.1739       
19.30177  67.96865       18.64929  103.6038 9.259128 80.83179 11.68476 
22.77203       14.90856 
1 1 1 6   3  7  o 311.1626 4.475142 984.8579       28.31690  1001.909       
40.18644  968.0430       39.90730  313.7819 6.297964 308.4306 6.362730 
5.351318       8.952579 
1 1 1 6   3  8  o 454.1711 5.098048 2098.704       47.08416  2027.051       
65.15083  2177.043       68.12264  446.2037 7.180179 462.4122 7.244539 
-16.20850      10.19992 
1 1 1 6   3  9  o 169.0211 6.458828 290.8877       22.19964  323.6923       
28.55089  240.7312       35.30335  178.2349 7.877263 153.1078 11.42099 
25.12717       13.87409 
1 1 1 6   3  10 o 146.8854 7.212276 219.9131       21.54281  210.8795       
36.20789  224.8633       26.80308  142.9367 12.58520 148.1650 8.937696 
-5.228271      15.43599 
1 1 1 6   3  11 o 140.1693 6.275916 200.2680       17.88881  217.7460       
25.39937  183.0646       25.19903  145.7471 8.608016 133.4906 9.341744 
12.25652       12.70300 
1 1 1 6   3  12 f 149.0490 6.091679 226.5519       18.46365  227.4619       
25.94810  225.6185       26.27810  148.8843 8.607197 148.2540 8.755222 
0.6303711      12.27753 
1 1 1 6   3  13 o 271.4887 4.929946 751.1565       27.21732  681.8230       
37.30886  830.0317       39.79336  258.3348 7.101950 285.0775 6.864300 
-26.74265      9.877060 
1 1 1 6   3  14 o 205.2082 6.504024 430.1861       27.14116  466.7150       
50.03065  414.9526       32.30852  212.3465 11.63038 201.3189 7.891892 
11.02760       14.05517 
1 1 1 6   3  15 o 178.1465 6.310264 324.3570       22.85999  337.3296       
31.81957  310.5192       32.86353  181.2669 8.632260 173.5280 9.347552 
7.738907       12.72370 
1 1 1 6   3  16 o 197.4659 6.272339 398.7323       25.18680  378.4155       
35.68892  418.8917       35.55052  191.7549 9.152409 201.8769 8.659800 
-10.12199      12.59995 
1 1 1 6   3  17 o 89.33212 12.18052 84.56491       21.55033  44.06926       
31.43906  120.4560       29.59775  64.07499 20.95289 106.2729 14.03942 
-42.19792      25.22160 
1 1 1 6   3  18 o 94.00512 11.42690 93.66376       21.39474  65.11302       
31.28857  118.7361       29.32068  75.38285 20.05884 104.9812 14.09008 
-29.59833      24.51300 
1 1 1 6   3  19 o 193.8112 7.696626 389.0751       30.33407  214.8447       
53.84608  470.0753       36.71429  136.0697 20.06185 212.6085 8.491866 
-76.53874      21.78508 
1 1 1 6   3  20 o 118.1903 8.009541 146.7658       19.13680  126.0597       
26.58752  169.0242       27.56606  107.0908 12.44065 125.1846 10.93844 
-18.09383      16.56561 
1 1 1 6   4  0  o 323.3586 3.712162 1063.698       24.40971  1101.890       
35.23945  1028.471       33.84392  329.0248 5.266826 317.8765 5.235653 
11.14835       7.426407 
1 1 1 6   4  1  o 272.5215 4.972545 755.7966       27.55694  0.000000       
0.000000  755.7966       27.55694  ?        ?        272.5215 4.972545 
0.000000       4.972545 
1 1 1 6   4  2  o 251.2310 4.079896 642.0872       20.84365  586.9890       
35.04625  672.2439       25.92773  240.0790 7.178536 257.0310 4.960525 
-16.95197      8.725719 
1 1 1 6   4  3  o 83.74989 10.71255 72.68848       17.82628  0.000000       
0.000000  72.68848       17.82628  ?        ?        83.74989 10.71255 
0.000000       10.71255 
1 1 1 6   4  4  o 166.5638 4.091957 282.1890       13.85999  283.9469       
16.27772  277.5545       26.43006  167.0706 4.791175 165.1096 7.871805 
1.960938       9.215241 
1 1 1 6   4  5  o 193.6407 4.322241 381.3859       17.01990  405.9337       
24.43987  358.2706       23.71600  199.7431 6.016942 187.6463 6.215127 
12.09679       8.650514 
1 1 1 6   4  6  o 257.7820 4.289487 675.8827       22.48585  678.2596       
31.80628  673.5078       31.79332  258.1921 6.057851 257.2855 6.076719 
0.9065857      8.580447 
1 1 1 6   4  7  o 781.9595 6.993354 6223.436       111.2042  6335.627       
159.8219  6118.144       154.8299  788.5645 9.966617 774.9341 9.825134 
13.63037       13.99524 
1 1 1 6   4  8  o 464.4420 5.123855 2194.743       48.39268  2116.439       
66.68572  2281.852       70.33520  455.9292 7.192569 473.4006 7.306215 
-17.47137      10.25250 
1 1 1 6   4  9  f 207.3352 5.898677 437.6202       24.87018  427.5415       
31.32058  454.8195       40.91507  204.8557 7.518484 211.1631 9.528265 
-6.307404      12.13736 
1 1 1 6   4  10 o 183.2284 6.320955 342.0163       23.55195  337.2184       
39.73697  344.6145       29.24161  181.2821 10.82874 183.8287 7.822335 
-2.546600      13.35854 
1 1 1 6   4  11 o 61.55315 13.02692 40.38921       15.79739  51.77458       
22.70626  29.70830       21.99258  69.40222 16.35646 54.22777 17.51028 
15.17445       23.96130 
1 1 1 6   4  12 o 203.7225 5.229268 422.9228       21.66364  447.4815       
30.88223  399.1290       30.39754  209.3401 7.254453 197.6704 7.562151 
11.66971       10.47918 
1 1 1 6   4  13 o 86.68954 13.87389 79.65462       23.63295  0.000000       
0.000000  79.65462       23.63295  ?        ?        86.68954 13.87389 
0.000000       13.87389 
1 1 1 6   4  14 o 70.00504 14.77250 52.87550       20.36885  19.07215       
37.24337  67.30154       24.33003  55.25576 22.02952 78.97031 15.70338 
-23.71455      27.05358 
1 1 1 6   4  15 o 134.7590 8.452650 187.0900       23.04612  186.7238       
29.39276  187.6745       37.13123  134.0564 10.87580 133.5158 13.87869 
0.5405884      17.63239 
1 1 1 6   4  16 o 230.1525 6.671371 542.0905       31.22355  487.3919       
50.60067  575.7239       39.67829  216.5553 11.53197 236.7825 8.240470 
-20.22717      14.17363 
1 1 1 6   4  17 o 304.7443 5.655942 949.3917       35.05032  976.6067       
50.84419  924.7461       48.38451  308.2022 8.112491 299.9804 7.931621 
8.221741       11.34562 
1 1 1 6   4  18 o 177.0130 6.969681 322.0520       25.08821  282.6418       
35.51212  361.3203       35.44813  164.3211 10.68559 186.4631 9.378584 
-22.14198      14.21758 
1 1 1 6   4  19 o 34.55094 15.55136 -7.757374      22.94879  -36.41413      
46.56907  1.433684       26.37344  43.13900 20.35288 40.33222 17.46240 
2.806778       26.81744 
1 1 1 6   4  20 o 69.66585 12.68919 54.27649       17.31419  31.96861       
23.50948  80.71819       25.59520  52.81411 18.13189 83.56850 15.63614 
-30.75439      23.94273 
1 1 1 6   5  0  o 114.9459 3.597123 134.4072       8.408146  118.5660       
12.00102  149.6801       11.78378  107.7847 5.493546 121.2781 4.778051 
-13.49344      7.280716 
1 1 1 6   5  1  o 178.5399 4.769949 324.3680       17.31811  0.000000       
0.000000  324.3680       17.31811  ?        ?        178.5399 4.769949 
0.000000       4.769949 
1 1 1 6   5  2  o 324.9770 4.402264 1074.445       29.09244  1013.409       
49.00196  1107.670       36.15374  315.4235 7.639553 329.9146 5.388902 
-14.49103      9.348959 
1 1 1 6   5  3  o 158.8585 7.514921 256.9619       24.27652  0.000000       
0.000000  256.9619       24.27652  ?        ?        158.8585 7.514921 
0.000000       7.514921 
1 1 1 6   5  4  o 293.1773 3.944646 874.2311       23.51743  891.6925       
27.60685  828.0391       44.90163  296.0734 4.585281 285.1919 7.742363 
10.88156       8.998278 
1 1 1 6   5  5  o 442.7717 4.766944 1994.173       42.92115  1981.079       
60.05647  2007.843       61.36400  441.2260 6.693407 444.1909 6.793485 
-2.964844      9.536935 
1 1 1 6   5  6  o 354.9252 4.425795 1281.301       31.94328  1314.247       
45.53832  1249.386       44.81951  359.3960 6.230922 350.4130 6.289779 
8.982971       8.853571 
1 1 1 6   5  7  o 509.2634 5.256958 2638.523       54.44130  2536.328       
74.83801  2753.391       79.34254  499.1623 7.372742 520.0729 7.502232 
-20.91058      10.51859 
1 1 1 6   5  8  o 249.8563 4.835161 635.1483       24.56703  669.4563       
35.17773  602.4852       34.32405  256.4394 6.745771 243.2660 6.938503 
13.17342       9.677203 
1 1 1 6   5  9  o 353.6755 5.410726 1273.178       38.91455  1266.013       
48.07582  1286.792       66.27125  352.5795 6.705300 355.2108 9.174609 
-2.631287      11.36374 
1 1 1 6   5  10 o 123.7523 8.203604 156.9132       20.52767  214.3112       
35.11251  127.1085       25.30210  144.1643 12.08874 110.8819 11.38281 
33.28238       16.60440 
1 1 1 6   5  11 o 166.5666 5.769652 282.7133       19.54290  283.8468       
27.73763  281.5959       27.53910  166.7164 8.181626 166.0564 8.155353 
0.6600037      11.55200 
1 1 1 6   5  12 o 289.4714 4.829645 853.6236       28.42970  861.0829       
40.49123  846.3710       39.92607  290.4510 6.855463 287.9651 6.818131 
2.485901       9.668727 
1 1 1 6   5  13 o 266.7390 4.980295 725.1785       27.01425  711.5309       
38.04324  739.0591       38.36665  263.8901 7.089292 268.9602 7.014788 
-5.070038      9.973229 
1 1 1 6   5  14 o 32.95703 14.15167 -0.6489906     17.04174  8.707603       
24.80667  -9.011363      23.45170  43.62027 17.76832 35.47794 15.86327 
8.142334       23.81925 
1 1 1 6   5  15 o 66.41573 15.23062 47.98243       20.13195  56.75655       
25.95896  34.74165       31.88913  71.83752 17.84894 59.70796 21.07770 
12.12956       27.61981 
1 1 1 6   5  16 o 303.8439 6.193889 944.0106       38.27060  932.9890       
63.29776  950.3611       48.04727  300.5478 10.35675 304.3750 7.762619 
-3.827240      12.94297 
1 1 1 6   5  17 o 221.2182 6.339797 501.0246       28.51987  457.1845       
40.54500  543.9604       40.12467  210.4279 9.475074 229.8445 8.584714 
-19.41667      12.78571 
1 1 1 6   5  18 o 66.01079 18.59568 49.25988       26.02811  59.12818       
31.16478  26.50346       47.32547  71.79370 20.39132 60.46061 24.57527 
11.33310       31.93352 
1 1 1 6   5  19 o 84.65051 18.76941 83.70950       31.46227  66.37897       
46.61699  98.20750       42.63758  73.45452 25.51451 89.04470 23.28355 
-15.59018      34.54148 
1 1 1 6   5  20 f 53.45100 15.22375 33.18988       17.34579  32.52878       
24.62661  33.84077       24.43581  53.24229 18.54172 53.99431 18.48730 
-0.7520180     26.18350 
1 1 1 6   6  0  o 26.19889 9.285983 6.035235       6.195463  9.308798       
10.16098  4.098015       7.816545  32.99153 11.87085 26.04972 10.18248 
6.941813       15.63969 
1 1 1 6   6  1  o 142.6884 4.054973 207.1297       11.76598  195.7211       
21.15892  212.2367       14.15658  138.4027 7.546408 144.4200 4.820362 
-6.017319      8.954560 
1 1 1 6   6  2  o 314.0348 3.770915 1003.141       24.08108  974.8605       
47.90932  1012.701       27.85560  309.3737 7.615267 315.5058 4.341640 
-6.132050      8.765965 
1 1 1 6   6  3  o 64.17409 8.061302 42.60023       10.28787  42.76099       
13.11030  42.34261       16.59721  63.94083 10.44343 63.21140 13.33144 
0.7294312      16.93496 
1 1 1 6   6  4  o 195.4282 3.969309 388.4532       15.77442  385.7909       
18.51503  395.5026       30.12828  194.7449 4.675272 197.1096 7.516491 
-2.364670      8.851882 
1 1 1 6   6  5  o 274.2429 4.044160 764.9318       22.55356  777.1128       
26.52614  733.1530       42.84518  276.4028 4.719327 268.3741 7.850727 
8.028656       9.160020 
1 1 1 6   6  6  o 347.2421 4.396862 1226.428       31.04750  1293.076       
44.80280  1164.852       43.06436  356.4899 6.180257 338.3503 6.258929 
18.13959       8.796008 
1 1 1 6   6  7  o 453.3287 5.742096 2091.027       52.93406  2126.239       
91.21033  2073.144       65.00031  456.8145 9.818672 451.3017 7.082671 
5.512756       12.10663 
1 1 1 6   6  8  o 451.4707 5.076419 2073.914       46.60564  2117.893       
66.33779  2031.049       65.49103  456.0723 7.152798 446.6186 7.210968 
9.453644       10.15680 
1 1 1 6   6  9  o 290.5442 5.409233 859.2478       31.95945  893.0703       
40.20041  801.1541       52.68574  296.1231 6.675853 280.2579 9.244507 
15.86520       11.40298 
1 1 1 6   6  10 o 340.7297 5.513945 1182.267       38.20533  1194.032       
64.61001  1175.942       47.37555  341.9333 9.291951 339.6729 6.858702 
2.260406       11.54912 
1 1 1 6   6  11 o 299.5941 4.788832 914.0247       29.17523  936.2397       
41.42170  892.1533       41.10019  302.9864 6.722849 295.7518 6.833845 
7.234589       9.586351 
1 1 1 6   6  12 o 82.63624 9.918045 70.98385       16.33368  72.22063       
22.86627  69.69534       23.33964  82.48498 14.14124 80.86205 14.73674 
1.622932       20.42416 
1 1 1 6   6  13 o 251.0750 4.982960 642.5351       25.44147  648.7037       
36.13252  636.4698       35.82875  251.9670 7.051850 249.5785 7.059487 
2.388565       9.978224 
1 1 1 6   6  14 o 129.5188 7.385959 172.1905       19.37260  171.3251       
27.24094  173.0760       27.55575  128.5736 10.51073 129.2176 10.57944 
-0.6439667     14.91309 
1 1 1 6   6  15 o 47.41206 18.44339 16.01020       25.54910  16.01020       
25.54910  0.000000       0.000000  47.41206 18.44339 ?        ?        
0.000000       18.44339 
1 1 1 6   6  16 o 150.6924 11.38250 236.6128       34.62301  202.5246       
43.24656  297.4654       57.78157  137.8233 15.71119 166.5802 17.31027 
-28.75682      23.37706 
1 1 1 6   6  17 o 65.88799 15.70827 47.78077       20.74986  39.97750       
30.36691  54.61518       28.41928  61.52431 20.61138 69.88792 19.34096 
-8.363602      28.26485 
1 1 1 6   6  18 o 102.4883 10.29371 110.4378       21.16354  65.10337       
30.54308  152.3053       29.35197  75.30486 19.71406 119.7717 12.22251 
-44.46681      23.19556 
1 1 1 6   6  19 o 120.6061 10.29210 154.1289       25.00042  109.2858       
46.94738  171.8789       29.53674  93.00275 24.48684 126.7387 11.58871 
-33.73596      27.09066 
1 1 1 6   6  20 o 30.44787 13.93609 -9.420709      19.40047  -14.82584      
24.03996  0.6733497      32.85212  32.59530 15.13036 42.83711 18.98712 
-10.24181      24.27835 
1 1 1 6   7  0  o 398.4321 4.736045 1615.444       38.37263  1572.089       
64.70938  1638.959       47.65585  392.7340 8.102468 401.2344 5.840724 
-8.500336      9.988194 
1 1 1 6   7  1  o 157.5068 3.456736 252.3438       11.07177  253.6250       
22.79333  251.9482       12.66648  157.8052 7.102889 157.3736 3.957971 
0.4316254      8.131209 
1 1 1 6   7  2  o 292.8801 3.682506 872.5137       21.93233  891.0745       
44.94563  866.7127       25.12703  295.7974 7.472084 291.8864 4.233270 
3.911041       8.587934 
1 1 1 6   7  3  o 275.8374 4.361742 773.9841       24.46609  762.2228       
30.16389  796.6017       41.82949  273.6986 5.419552 279.7175 7.353795 
-6.018921      9.135089 
1 1 1 6   7  4  o 251.0196 4.523064 640.9423       23.08829  594.7750       
28.11132  736.6365       40.47221  241.7798 5.717548 269.0123 7.398322 
-27.23251      9.350162 
1 1 1 6   7  5  o 597.0034 5.608981 3625.984       68.09452  3623.808       
78.76094  3632.424       135.5091  596.7658 6.490161 597.0233 11.16159 
-0.2574463     12.91136 
1 1 1 6   7  6  o 472.2032 4.953846 2268.199       47.56887  2327.416       
68.15507  2211.954       66.42342  478.2161 7.008460 466.2033 7.006393 
12.01276       9.909998 
1 1 1 6   7  7  o 256.4767 5.338109 669.2612       27.84113  632.5806       
46.30681  690.0268       34.84171  249.1952 9.138057 260.3819 6.580172 
-11.18674      11.26067 
1 1 1 6   7  8  o 434.8596 4.994898 1924.113       44.16997  1942.317       
62.42867  1905.865       62.50294  436.7586 7.028962 432.6342 7.104412 
4.124420       9.993947 
1 1 1 6   7  9  o 109.3353 9.016338 122.7505       19.86786  91.80163       
24.57930  181.0882       33.74598  93.79419 13.25608 132.4479 12.68439 
-38.65375      18.34714 
1 1 1 6   7  10 o 124.4354 8.156795 158.6620       20.52604  158.7972       
33.24819  158.5787       26.09191  123.6757 13.43617 124.0973 10.43622 
-0.4215469     17.01310 
1 1 1 6   7  11 o 256.4016 4.917181 669.5588       25.63825  662.9269       
35.85636  676.4963       36.67338  254.9205 6.916877 257.5056 7.003465 
-2.585083      9.843359 
1 1 1 6   7  12 o 211.7591 6.136627 457.4123       26.42550  443.6281       
31.47235  490.3539       48.65315  208.3880 7.426858 218.2063 10.99997 
-9.818329      13.27244 
1 1 1 6   7  13 o 189.7636 6.627593 367.7661       25.57527  362.2148       
30.29697  381.5300       47.70589  188.1482 7.918587 191.8754 12.29110 
-3.727219      14.62105 
1 1 1 6   7  14 o 33.50809 14.21294 0.9624719      16.81711  36.64779       
23.54818  -36.18254      24.02496  58.73277 18.00721 28.63176 13.80701 
30.10100       22.69126 
1 1 1 6   7  15 o 58.06551 16.48767 36.52171       20.37761  46.57754       
25.95975  20.37845       32.89178  65.25828 18.63707 53.31805 20.87481 
11.94023       27.98389 
1 1 1 6   7  16 o 67.80214 15.97844 50.38496       21.66983  50.88581       
35.90928  50.09810       27.17585  68.68697 22.38971 67.37125 19.00909 
1.315712       29.37081 
1 1 1 6   7  17 o 133.6857 8.551755 184.8123       23.12650  158.9114       
33.15360  209.3597       32.27569  122.3489 13.55304 141.4621 11.31446 
-19.11314      17.65508 
1 1 1 6   7  18 o 100.6967 10.60970 106.9309       21.39855  62.32607       
31.02957  147.3805       29.54894  73.52457 20.15348 117.6166 12.54812 
-44.09206      23.74064 
1 1 1 6   7  19 o 102.7093 11.47814 113.3073       23.56362  -6.178202      
44.26869  160.5447       27.83440  48.03323 21.61137 122.5400 11.29720 
-74.50673      24.38602 
1 1 1 6   7  20 o 165.0036 9.474791 289.7107       31.65843  288.6763       
44.21892  290.7984       45.34590  160.9628 13.63744 161.2130 13.97016 
-0.2501831     19.52294 
1 1 1 6   8  0  o 411.3783 4.212020 1721.791       35.23573  1762.354       
50.82127  1684.242       48.89615  416.0592 6.006742 406.7425 5.911581 
9.316681       8.427795 
1 1 1 6   8  1  o 206.6157 3.391487 434.2205       14.24967  447.7537       
29.82896  430.2188       16.22016  209.6834 6.995564 205.6496 3.878607 
4.033768       7.998844 
1 1 1 6   8  2  o 477.5138 5.402826 2320.318       52.46363  2277.571       
90.24529  2342.141       64.47878  472.7055 9.388203 479.6568 6.610507 
-6.951294      11.48204 
1 1 1 6   8  3  o 310.5049 4.515462 980.7775       28.51163  1076.084       
37.07907  842.9069       44.59684  325.1985 5.606977 287.7244 7.622123 
37.47412       9.462291 
1 1 1 6   8  4  o 545.2332 5.234487 3024.301       58.03738  3035.959       
67.39397  2990.840       114.1740  546.2316 6.067263 541.7737 10.36329 
4.457886       12.00873 
1 1 1 6   8  5  o 68.64369 9.526685 48.90598       12.93972  40.89611       
17.27628  59.14109       19.52917  62.08459 14.01609 75.03934 13.28419 
-12.95474      19.31115 
1 1 1 6   8  6  o 518.1520 7.359728 2732.705       77.54797  2732.705       
77.54797  0.000000       0.000000  518.1520 7.359728 ?        ?        
0.000000       7.359728 
1 1 1 6   8  7  o 214.1666 5.694300 466.7175       24.79953  465.0630       
41.24971  467.6539       31.03453  213.6426 9.494707 214.3356 7.120320 
-0.6929779     11.86796 
1 1 1 6   8  8  o 335.6762 4.723714 1146.443       32.24450  1145.753       
44.88515  1147.180       46.35139  335.4699 6.579573 335.6646 6.790565 
-0.1947021     9.455292 
1 1 1 6   8  9  o 275.7728 5.706656 774.2761       32.00254  812.6057       
38.72467  691.7087       56.83624  282.4427 6.742268 260.2196 10.74073 
22.22305       12.68154 
1 1 1 6   8  10 o 381.5802 6.949970 1484.377       53.92873  1466.268       
73.33090  1505.708       79.58599  378.8063 9.519594 383.7267 10.19913 
-4.920380      13.95152 
1 1 1 6   8  11 o 264.9398 4.872966 714.9104       26.25380  758.1351       
37.53354  673.5026       36.73624  272.6171 6.770411 256.9175 7.031527 
15.69958       9.761190 
1 1 1 6   8  12 o 198.4278 5.380025 401.3584       21.70892  418.7682       
31.12720  384.8705       30.29193  202.4348 7.561422 194.0539 7.676322 
8.380936       10.77502 
1 1 1 6   8  13 o 238.5578 5.108760 580.2005       24.78338  565.1835       
34.93895  595.4081       35.16008  235.1199 7.307504 241.3506 7.163911 
-6.230698      10.23334 
1 1 1 6   8  14 o 112.1900 8.155716 129.6685       18.47935  146.1620       
26.42676  113.8867       25.85026  118.5235 11.09353 104.1654 12.45037 
14.35801       16.67567 
1 1 1 6   8  15 o 154.8023 7.872515 246.3795       24.70067  234.1991       
31.18123  266.9003       40.47250  150.3342 10.26092 159.8104 12.55491 
-9.476242      16.21457 
1 1 1 6   8  16 o 140.1482 8.824313 202.8734       25.02053  202.7784       
39.84003  202.9353       32.15208  138.3650 14.36885 139.4366 11.43995 
-1.071594      18.36672 
1 1 1 6   8  17 o 195.0268 6.768687 389.9820       26.84418  373.6118       
39.52208  404.0024       36.57571  189.5946 10.28944 197.8399 9.091330 
-8.245331      13.73044 
1 1 1 6   8  18 o 111.4731 10.42578 130.7488       23.35913  156.7303       
39.84758  117.1458       28.83282  119.1070 16.92816 104.0803 13.97597 
15.02673       21.95200 
1 1 1 6   8  19 f 172.3854 7.941998 308.9353       27.84080  221.9104       
57.12613  336.0439       31.88354  136.2642 21.31429 179.3739 8.740891 
-43.10979      23.03697 
1 1 1 6   8  20 o 34.09109 15.56489 -9.313572      24.00516  -9.313572      
24.00516  0.000000       0.000000  34.09109 15.56489 ?        ?        
0.000000       15.56489 
1 1 1 6   9  0  o 314.8679 3.661580 1008.507       23.44490  1014.557       
33.29950  1002.561       33.01452  315.7374 5.186332 313.8660 5.172605 
1.871429       7.324881 
1 1 1 6   9  1  o 239.0941 3.999257 581.5360       19.44463  551.5505       
33.53687  596.7207       23.86547  232.7239 7.086472 242.1672 4.846221 
-9.443298      8.585100 
1 1 1 6   9  2  o 510.7346 5.654168 2654.536       58.72397  2682.259       
103.1966  2641.260       71.41399  512.9366 9.893511 509.3484 6.894725 
3.588165       12.05897 
1 1 1 6   9  3  o 290.2449 4.433449 856.9358       26.16722  839.7747       
32.17562  890.4567       44.96882  287.2884 5.507537 295.7430 7.477312 
-8.454651      9.286719 
1 1 1 6   9  4  o 244.1432 7.480767 606.7236       37.14002  0.000000       
0.000000  606.7236       37.14002  ?        ?        244.1432 7.480767 
0.000000       7.480767 
1 1 1 6   9  5  o 717.5029 7.449628 5239.845       108.6950  5239.845       
108.6950  0.000000       0.000000  717.5029 7.449628 ?        ?        
0.000000       7.449628 
1 1 1 6   9  6  o 388.2022 6.502837 1533.577       51.33485  1533.577       
51.33485  0.000000       0.000000  388.2022 6.502837 ?        ?        
0.000000       6.502837 
1 1 1 6   9  7  o 257.2382 7.096980 673.6359       37.12448  738.2640       
48.05449  577.9630       58.46796  269.2077 8.777988 237.6844 12.13713 
31.52328       14.97875 
1 1 1 6   9  8  o 213.2702 5.112556 462.8464       22.17275  522.4098       
31.66475  405.5435       31.05807  226.5030 6.874650 199.5309 7.654429 
26.97211       10.28840 
1 1 1 6   9  9  o 287.3229 5.716336 840.5492       33.39946  829.3180       
39.67342  867.8771       61.88566  285.3119 6.837988 291.4857 10.44050 
-6.173828      12.48047 
1 1 1 6   9  10 f 199.8138 5.341469 406.6146       21.70389  375.4030       
29.88015  441.4742       31.57806  191.8262 7.659905 208.0408 7.464238 
-16.21460      10.69528 
1 1 1 6   9  11 o 113.1648 7.589743 131.3446       17.36469  125.1450       
24.22114  137.9008       24.90803  109.9206 10.98289 115.4846 10.72893 
-5.564003      15.35363 
1 1 1 6   9  12 o 305.8411 4.859180 953.1061       30.22110  933.3304       
42.18703  973.9520       43.31340  302.3309 6.861909 308.8334 6.896784 
-6.502441      9.728896 
1 1 1 6   9  13 o 133.2713 7.071500 182.0490       19.09601  165.7178       
27.71279  196.8140       26.35038  126.4248 10.88558 138.1666 9.434880 
-11.74174      14.40531 
1 1 1 6   9  14 o 94.35229 9.550731 92.43959       18.07243  86.33573       
25.98924  98.15472       25.14805  89.87153 14.73122 96.39042 13.17473 
-6.518890      19.76315 
1 1 1 6   9  15 o 173.6309 7.425462 308.9386       26.21814  334.5720       
44.01267  294.8394       32.64168  179.1375 12.15394 168.9367 9.540627 
10.20078       15.45127 
1 1 1 6   9  16 o 90.47411 12.58522 86.79564       22.52748  74.23470       
38.90834  93.12981       27.62970  80.92587 22.71432 92.97874 15.13359 
-12.05288      27.29407 
1 1 1 6   9  17 o 146.9255 7.771500 222.5897       23.13696  214.6316       
33.30652  230.0115       32.16455  143.0714 11.54622 148.4408 10.72771 
-5.369339      15.76068 
1 1 1 6   9  18 o 33.07941 14.54880 -3.244229      18.93137  -17.40048      
27.51997  9.472993       26.08374  35.55977 16.39383 43.80051 18.07369 
-8.240738      24.40114 
1 1 1 6   9  19 o 37.65992 15.27651 8.627671       18.24469  -9.162242      
27.08882  23.39739       24.68251  36.99869 16.75176 48.93532 18.34706 
-11.93663      24.84423 
1 1 1 6   9  20 o 74.59604 18.16837 68.24483       27.30449  68.24483       
27.30449  0.000000       0.000000  74.59604 18.16837 ?        ?        
0.000000       18.16837 
1 1 1 6   10 0  o 111.1710 4.302637 125.7396       9.726969  128.2514       
18.05746  124.7128       11.54511  111.9087 7.987360 110.7018 5.128521 
1.206909       9.492084 
1 1 1 6   10 1  o 317.5605 5.405077 1026.254       34.90437  963.7887       
47.77415  1097.776       51.12000  307.6100 7.637321 328.2951 7.657288 
-20.68509      10.81493 
1 1 1 6   10 2  o 557.3839 7.417552 3163.392       84.07492  3060.591       
115.6709  3278.530       122.4154  547.8762 10.38222 567.0110 10.61679 
-19.13483      14.84946 
1 1 1 6   10 3  o 313.8224 5.618697 1002.065       35.85675  1002.065       
35.85675  0.000000       0.000000  313.8224 5.618697 ?        ?        
0.000000       5.618697 
1 1 1 6   10 4  o 311.8807 7.832791 990.1912       49.67713  0.000000       
0.000000  990.1912       49.67713  ?        ?        311.8807 7.832791 
0.000000       7.832791 
1 1 1 6   10 5  o 368.5684 4.353531 1381.699       32.62955  1382.811       
38.03651  1378.602       63.49358  368.6928 5.073230 367.9700 8.485276 
0.7228699      9.886231 
1 1 1 6   10 6  o 696.2067 6.352798 4932.455       89.94037  5047.821       
106.1263  4638.386       169.4366  704.1947 7.411034 674.3458 12.35586 
29.84894       14.40801 
1 1 1 6   10 7  o 134.0400 6.499867 182.8774       17.71701  158.9664       
24.67365  208.3287       25.45592  124.4992 9.825615 142.7281 8.813700 
-18.22897      13.19939 
1 1 1 6   10 8  o 175.6777 6.087090 314.1852       21.74592  287.1976       
27.29977  361.0367       35.96989  167.8888 7.996241 188.1622 9.400597 
-20.27336      12.34144 
1 1 1 6   10 9  o 377.5277 5.689400 1451.271       43.67841  1479.525       
53.14660  1392.475       76.66813  381.0598 6.858528 369.2077 10.21157 
11.85214       12.30104 
1 1 1 6   10 10 o 387.6421 4.873038 1530.040       38.41335  1544.137       
54.26332  1515.878       54.38624  389.1522 6.857021 385.5623 6.936543 
3.589966       9.753684 
1 1 1 6   10 11 o 207.5244 7.476725 439.7643       31.55236  439.7643       
31.55236  0.000000       0.000000  207.5244 7.476725 ?        ?        
0.000000       7.476725 
1 1 1 6   10 12 o 144.4703 9.157105 214.7158       26.76312  0.000000       
0.000000  214.7158       26.76312  ?        ?        144.4703 9.157105 
0.000000       9.157105 
1 1 1 6   10 13 o 80.96380 15.09804 70.35225       23.94337  0.000000       
0.000000  70.35225       23.94337  ?        ?        80.96380 15.09804 
0.000000       15.09804 
1 1 1 6   10 14 o 184.6927 5.956855 348.3984       22.37269  389.6225       
32.78043  312.4516       30.61045  194.9085 8.270513 174.4757 8.627466 
20.43275       11.95134 
1 1 1 6   10 15 o 146.4855 8.636593 221.2873       25.61315  225.3638       
29.67277  209.3717       50.73076  147.4979 9.951013 139.0960 18.38578 
8.401886       20.90597 
1 1 1 6   10 16 o 62.45230 16.93458 42.87640       22.04851  14.34456       
36.88705  58.73700       27.50229  52.67001 21.58489 72.66303 18.54911 
-19.99302      28.46009 
1 1 1 6   10 17 o 51.61903 16.81871 28.00288       20.26342  40.33425       
29.46856  16.94248       27.90864  61.29692 20.29735 48.65574 19.17322 
12.64118       27.92123 
1 1 1 6   10 18 o 121.7707 8.823437 154.6159       21.70084  204.5483       
31.87232  111.4637       29.62951  139.0672 11.36980 100.9063 14.88673 
38.16088       18.73198 
1 1 1 6   10 19 o 156.6767 6.757341 253.9654       21.52938  248.4222       
31.74506  258.6865       29.29642  152.9434 10.26643 156.7163 9.233627 
-3.772842      13.80795 
1 1 1 6   10 20 o 46.50496 17.97759 21.46144       24.15734  21.46144       
24.15734  0.000000       0.000000  46.50496 17.97759 ?        ?        
0.000000       17.97759 
1 1 1 6   11 0  o 96.51820 4.638444 94.78480       9.104014  95.96742       
17.40667  94.33947       10.68144  96.61656 8.961576 96.12167 5.487335 
0.4948883      10.50812 
1 1 1 6   11 1  f 358.2417 4.573414 1305.668       33.31717  1310.234       
59.04333  1303.535       40.35601  358.6393 8.095833 357.8988 5.544937 
0.7405701      9.812688 
1 1 1 6   11 2  o 611.7744 7.956250 3811.510       98.98084  3726.031       
137.3926  3903.744       142.7195  604.4065 11.17848 618.6230 11.34503 
-14.21655      15.92696 
1 1 1 6   11 3  o 330.5334 4.017004 1111.229       27.00033  1135.240       
31.92457  1050.902       50.60286  334.0639 4.699418 321.2839 7.745236 
12.77997       9.059426 
1 1 1 6   11 4  o 509.3997 5.854710 2640.145       60.64786  2654.599       
75.56624  2613.982       101.6650  510.6996 7.276304 506.5592 9.869376 
4.140411       12.26170 
1 1 1 6   11 5  o 345.9357 4.935705 1217.355       34.72130  1305.204       
44.97353  1087.733       54.62970  358.1525 6.175008 326.8632 8.218855 
31.28928       10.28009 
1 1 1 6   11 6  o 439.1072 4.826423 1961.480       43.09703  1958.128       
50.24846  1970.806       83.81603  438.6914 5.632643 439.8397 9.370899 
-1.148285      10.93345 
1 1 1 6   11 7  o 270.5823 6.505143 745.2762       35.79380  745.2762       
35.79380  0.000000       0.000000  270.5823 6.505143 ?        ?        
0.000000       6.505143 
1 1 1 6   11 8  f 501.6454 6.062415 2561.968       61.84347  2535.573       
75.83138  2614.388       106.8659  498.8877 7.474717 506.1228 10.38321 
-7.235077      12.79385 
1 1 1 6   11 9  o 85.04063 12.95871 75.77010       21.70152  70.36727       
24.88558  92.92361       44.34186  81.39868 15.60201 92.63404 23.50188 
-11.23536      28.20923 
1 1 1 6   11 10 o 233.6522 5.695035 556.2240       27.05937  565.1107       
46.24024  551.5959       33.36974  235.0589 9.673685 232.5509 7.056400 
2.507965       11.97385 
1 1 1 6   11 11 f 204.4827 5.984103 426.3606       24.88325  408.1758       
41.94469  436.2359       30.90988  199.2383 10.38866 206.6867 7.354166 
-7.448441      12.72824 
1 1 1 6   11 12 f 119.8007 7.366663 147.2377       17.85958  104.7110       
24.28299  197.3470       26.35907  100.0602 12.18575 138.4128 9.420936 
-38.35264      15.40281 
1 1 1 6   11 13 o 55.36407 15.84158 32.84517       18.73772  55.64288       
33.36629  22.34367       22.64582  71.53454 21.32873 49.48991 17.73082 
22.04462       27.73619 
1 1 1 6   11 14 f 163.4848 6.347998 273.1889       21.10404  288.1353       
29.56561  257.6626       30.13372  167.2876 8.721240 158.0019 9.421459 
9.285660       12.83838 
1 1 1 6   11 15 o 82.89858 14.07726 73.74675       22.88228  84.63189       
26.12057  37.83017       47.44748  88.64878 15.02638 66.03217 25.28049 
22.61662       29.40910 
1 1 1 6   11 16 o 63.64753 17.12470 44.66073       22.65044  52.79179       
38.09903  40.21576       28.16922  69.76607 23.07791 61.32921 19.81866 
8.436855       30.41988 
1 1 1 6   11 17 o 91.34715 11.68336 88.46680       21.20549  57.68753       
29.61576  120.8485       30.37691  71.36676 19.74149 105.9483 14.47827 
-34.58154      24.48156 
1 1 1 6   11 18 o 85.40337 11.51373 78.07687       19.48635  115.9647       
29.39367  48.36892       26.02797  103.0664 14.41921 64.93673 18.69731 
38.12964       23.61150 
1 1 1 6   11 19 o 50.58007 15.53577 28.98399       17.51884  18.08897       
26.50332  37.43822       23.34660  46.76968 18.60334 56.74041 18.01197 
-9.970734      25.89431 
1 1 1 6   11 20 o 61.42924 18.46875 47.00164       24.94131  47.00164       
24.94131  0.000000       0.000000  61.42924 18.46875 ?        ?        
0.000000       18.46875 
1 1 1 6   12 0  o 174.2868 3.330881 308.9561       11.80525  310.3937       
25.89648  308.5789       13.26358  174.5804 7.294470 174.1727 3.744805 
0.4077301      8.199565 
1 1 1 6   12 1  o 215.3846 3.428834 471.8345       15.01801  444.1362       
31.03526  480.3035       17.16104  208.8485 7.307562 217.2991 3.883599 
-8.450531      8.275434 
1 1 1 6   12 2  o 238.0959 7.495551 577.1820       36.29166  577.1820       
36.29166  0.000000       0.000000  238.0959 7.495551 ?        ?        
0.000000       7.495551 
1 1 1 6   12 3  o 293.0092 4.703676 873.3432       28.02658  836.5152       
35.47561  934.4978       45.71469  286.7201 6.084437 302.9901 7.419522 
-16.27005      9.595294 
1 1 1 6   12 4  o 366.8428 5.084958 1368.988       37.93314  1471.107       
50.15257  1232.470       57.98743  380.2191 6.486460 347.9319 8.195739 
32.28717       10.45200 
1 1 1 6   12 5  f 542.6789 5.312952 2996.075       58.63140  3002.767       
68.24304  2977.210       114.5784  543.2307 6.177641 540.5330 10.42387 
2.697754       12.11695 
1 1 1 6   12 6  o 267.6571 8.047754 729.5073       43.80310  0.000000       
0.000000  729.5073       43.80310  ?        ?        267.6571 8.047754 
0.000000       8.047754 
1 1 1 6   12 7  o 424.9563 5.751688 1837.905       49.70397  1793.077       
84.62666  1861.513       61.41251  419.3480 9.923874 427.5737 7.063086 
-8.225677      12.18074 
1 1 1 6   12 8  o 289.9057 6.482355 855.8877       38.21563  856.8353       
57.47065  855.1366       51.16703  289.7791 9.752764 289.5976 8.688481 
0.1814880      13.06163 
1 1 1 6   12 9  o 217.9582 6.247266 483.9749       27.68947  462.8440       
32.31270  542.3776       53.71946  213.0579 7.458031 230.1977 11.47570 
-17.13985      13.68627 
1 1 1 6   12 10 o 52.34933 14.29365 29.14966       15.64405  30.07287       
22.55079  28.29318       21.72061  54.62619 17.73987 53.18927 17.41697 
1.436924       24.86069 
1 1 1 6   12 11 o 74.45393 10.79716 58.05966       15.87048  50.32139       
22.28720  66.01995       22.60466  68.26652 16.28274 78.66785 14.66989 
-10.40134      21.91651 
1 1 1 6   12 12 o 189.1208 5.455330 364.7458       20.98031  399.3287       
29.85340  330.9970       29.49118  197.6333 7.428179 179.8433 8.063925 
17.78995       10.96379 
1 1 1 6   12 13 o 149.8487 7.442932 229.7781       22.68028  275.3932       
39.05541  206.5676       27.85922  162.8373 11.87629 141.4329 9.745993 
21.40442       15.36329 
1 1 1 6   12 14 o 33.11561 14.28425 -1.124983      17.51460  0.1349374      
24.73994  -2.390921      24.79895  39.79855 17.06913 38.87124 16.88144 
0.9273033      24.00705 
1 1 1 6   12 15 o 30.38730 14.34547 -24.87809      23.19997  -15.35463      
25.70315  -66.75166      53.89630  35.18217 16.07972 43.92862 21.05248 
-8.746441      26.49083 
1 1 1 6   12 16 o 218.0592 6.858828 487.3384       30.41415  534.5773       
52.45258  463.4113       37.33036  226.5262 11.42347 212.1412 8.653379 
14.38495       14.33097 
1 1 1 6   12 17 o 118.0047 9.191489 144.9275       21.88251  166.4106       
31.96115  125.9710       30.02281  125.2339 12.72700 108.3285 13.95315 
16.90542       18.88563 
1 1 1 6   12 18 o 163.6582 6.908804 276.0828       22.99282  266.4452       
33.28007  284.8842       31.80366  159.1383 10.33998 164.9904 9.519531 
-5.852081      14.05477 
1 1 1 6   12 19 o 85.43092 11.05196 79.07844       18.75011  72.07187       
27.70921  84.99644       25.46591  77.87605 17.87549 86.51086 15.02048 
-8.634811      23.34841 
1 1 1 6   13 0  o 32.59169 8.603902 11.21107       5.786156  6.484544       
14.25277  12.14377       6.331364  34.51125 13.66918 33.92825 9.020918 
0.5830078      16.37753 
1 1 1 6   13 1  o 445.0442 4.448677 2014.898       40.26108  1988.913       
81.78053  2023.210       46.25467  441.8001 9.102752 445.9248 5.100849 
-4.124756      10.43450 
1 1 1 6   13 2  o 476.1617 6.672722 2307.676       64.61137  0.000000       
0.000000  2307.676       64.61137  ?        ?        476.1617 6.672722 
0.000000       6.672722 
1 1 1 6   13 3  o 241.9872 8.628233 596.3073       42.45860  596.3073       
42.45860  0.000000       0.000000  241.9872 8.628233 ?        ?        
0.000000       8.628233 
1 1 1 6   13 4  f 214.7135 5.009689 468.9804       21.87366  433.6909       
28.99584  515.5840       33.32130  206.4312 6.907308 225.0673 7.280450 
-18.63603      10.03573 
1 1 1 6   13 5  o 208.6892 5.189702 443.0628       22.02388  458.4407       
29.57392  423.9156       32.99988  212.2356 6.852345 204.0528 7.952768 
8.182785       10.49767 
1 1 1 6   13 6  o 475.2191 9.702460 2301.528       93.76206  0.000000       
0.000000  2301.528       93.76206  ?        ?        475.2191 9.702460 
0.000000       9.702460 
1 1 1 6   13 7  o 596.2664 5.748322 3618.616       69.70000  3619.937       
80.96466  3614.834       136.9821  596.2696 6.677308 595.0873 11.31961 
1.182251       13.14230 
1 1 1 6   13 8  o 343.1763 5.386915 1198.845       37.59316  1177.650       
46.87182  1237.065       62.94188  340.0135 6.778979 348.2540 8.887757 
-8.240570      11.17796 
1 1 1 6   13 9  o 192.2558 6.739816 376.7417       26.34990  402.5284       
31.03181  310.0984       49.88703  198.6539 7.681722 173.1146 14.29906 
25.53937       16.23182 
1 1 1 6   13 10 o 337.1810 6.782486 1159.714       46.50541  0.000000       
0.000000  1159.714       46.50541  ?        ?        337.1810 6.782486 
0.000000       6.782486 
1 1 1 6   13 11 o 181.6032 5.408640 336.1854       19.97391  303.0835       
27.71508  371.9583       28.81156  172.1802 7.915558 190.8056 7.425474 
-18.62547      10.85328 
1 1 1 6   13 12 o 134.8609 6.673794 185.7783       18.30250  223.5310       
26.41434  150.9142       25.38369  147.4148 8.852462 120.7132 10.44354 
26.70152       13.69064 
1 1 1 6   13 13 o 234.3533 5.983528 560.8277       28.51543  591.2659       
48.48354  544.7303       35.25845  239.7248 9.945576 230.6799 7.516264 
9.044891       12.46630 
1 1 1 6   13 14 o 427.8377 7.506214 1875.825       65.30575  1875.825       
65.30575  0.000000       0.000000  427.8377 7.506214 ?        ?        
0.000000       7.506214 
1 1 1 6   13 15 o 178.2504 8.031372 326.3370       29.11199  355.3138       
33.57334  238.5233       58.44537  185.7869 8.886445 147.5135 19.99911 
38.27332       21.88455 
1 1 1 6   13 16 o 76.61880 15.73956 64.32477       23.70286  64.04187       
38.89207  64.49194       29.89679  75.29471 23.15133 75.77539 19.33766 
-0.4806824     30.16503 
1 1 1 6   13 17 o 31.12108 14.13338 -9.985815      19.46112  -45.33461      
28.65626  20.27289       26.51291  30.40883 14.76292 49.32508 18.89444 
-18.91626      23.97799 
1 1 1 6   13 18 o 204.0592 8.978862 433.7603       37.25880  433.7603       
37.25880  0.000000       0.000000  204.0592 8.978862 ?        ?        
0.000000       8.978862 
1 1 1 6   13 19 o 99.72584 9.397896 105.8671       18.83378  91.14458       
28.23958  117.6617       25.27610  88.68052 16.25869 103.6382 12.22884 
-14.95763      20.34428 
1 1 1 6   14 0  o 340.2326 4.454163 1177.627       30.81722  1093.474       
52.74366  1221.248       37.97329  327.6599 7.915812 346.4331 5.390230 
-18.77319      9.576777 
1 1 1 6   14 1  o 197.2804 3.436398 395.8374       13.78602  387.7184       
29.97036  398.0163       15.52611  195.1373 7.552668 197.8151 3.859684 
-2.677856      8.481743 
1 1 1 6   14 2  o 284.7592 3.817106 824.7394       22.10363  836.4449       
31.49199  813.3737       31.03159  286.7267 5.401079 282.7449 5.397067 
3.981842       7.635443 
1 1 1 6   14 3  o 648.2380 6.896353 4276.714       90.90869  4289.004       
110.9599  4251.620       158.5501  649.0164 8.407350 645.6894 12.07512 
3.327026       14.71367 
1 1 1 6   14 4  o 181.5143 4.901081 335.1613       18.09065  368.0478       
24.44703  295.3558       26.89604  190.1806 6.321329 170.3327 7.764956 
19.84799       10.01268 
1 1 1 6   14 5  o 252.1050 4.344818 646.4941       22.27432  683.0334       
27.51676  577.0424       37.93666  259.1075 5.222349 238.0674 7.836239 
21.04008       9.416984 
1 1 1 6   14 6  o 317.7018 8.298059 1028.133       53.61023  0.000000       
0.000000  1028.133       53.61023  ?        ?        317.7018 8.298059 
0.000000       8.298059 
1 1 1 6   14 7  o 424.8869 4.840853 1836.981       41.82603  1873.217       
49.55247  1747.194       78.00100  428.9944 5.680182 413.9462 9.266269 
15.04828       10.86868 
1 1 1 6   14 8  o 207.3586 7.415167 438.2335       31.26759  438.2335       
31.26759  0.000000       0.000000  207.3586 7.415167 ?        ?        
0.000000       7.415167 
1 1 1 6   14 9  o 315.6445 5.637176 1014.886       36.18356  984.8616       
42.27975  1097.065       69.94890  310.8239 6.689083 327.4317 10.50531 
-16.60782      12.45413 
1 1 1 6   14 10 o 95.75428 8.681679 94.50688       16.72113  83.48930       
24.24923  104.4945       23.08799  88.97279 13.85348 100.2381 11.53713 
-11.26531      18.02843 
1 1 1 6   14 11 o 197.3586 5.295860 397.0551       21.25416  392.2825       
29.25625  402.3892       30.92932  195.9368 7.342625 198.4008 7.666121 
-2.463989      10.61525 
1 1 1 6   14 12 o 173.4100 5.721436 306.8318       20.17579  312.2995       
28.64706  301.4505       28.42006  174.6451 8.066262 171.5729 8.145633 
3.072159       11.46368 
1 1 1 6   14 13 o 197.4895 8.105763 399.8185       32.55288  0.000000       
0.000000  399.8185       32.55288  ?        ?        197.4895 8.105763 
0.000000       8.105763 
1 1 1 6   14 14 o 99.57611 10.46953 103.4882       20.88240  69.63094       
26.97504  154.1238       32.98867  79.66776 17.15756 120.7852 13.67147 
-41.11742      21.93834 
1 1 1 6   14 15 o 116.3293 11.17062 141.5781       26.10022  146.9367       
29.44195  121.9108       56.40454  118.1385 12.44237 101.8376 26.85312 
16.30083       29.59565 
1 1 1 6   14 16 o 100.9640 10.68962 106.9092       21.61345  112.1755       
30.72208  101.7485       30.41235  101.9015 15.29827 96.68671 16.02941 
5.214760       22.15805 
1 1 1 6   14 17 o 156.7776 7.508221 253.1834       23.93714  204.4529       
33.63365  303.2015       34.07513  139.0274 12.01465 170.5019 9.870028 
-31.47458      15.54893 
1 1 1 6   14 18 o 112.1302 8.917742 131.8689       20.16629  160.9822       
31.31273  111.2352       26.36110  122.0882 12.80287 101.1284 13.12827 
20.95984       18.33753 
1 1 1 6   14 19 o 87.80634 10.09377 83.00905       17.69534  69.09572       
26.40323  94.35425       23.84226  76.01908 17.44909 92.02998 13.11056 
-16.01090      21.82562 
1 1 1 6   15 0  o 313.3798 3.692587 998.8895       23.53169  1037.751       
50.61774  988.1750       26.57842  319.2220 7.797557 311.6786 4.193443 
7.543396       8.853636 
1 1 1 6   15 1  o 252.6030 3.543091 648.9731       18.20004  643.2621       
39.08011  650.5548       20.56648  251.3533 7.645744 252.9004 3.999070 
-1.547043      8.628439 
1 1 1 6   15 2  o 242.5367 5.344133 598.4704       26.35762  598.4704       
26.35762  0.000000       0.000000  242.5367 5.344133 ?        ?        
0.000000       5.344133 
1 1 1 6   15 3  o 66.88934 10.71853 46.73717       14.08721  58.42607       
15.82994  2.246228       30.88363  74.96822 10.68611 45.96992 19.36635 
28.99830       22.11896 
1 1 1 6   15 4  o 308.3509 4.746663 967.2003       29.76357  1042.557       
39.13365  863.7936       45.84192  320.0922 6.012067 291.2879 7.739074 
28.80435       9.799909 
1 1 1 6   15 5  o 262.7815 4.449897 702.4462       23.77913  686.2932       
28.66668  738.0787       42.57676  259.7130 5.427906 269.2353 7.776590 
-9.522247      9.483540 
1 1 1 6   15 6  o 382.2026 4.701729 1486.214       36.54287  1511.620       
43.78054  1427.859       66.35338  385.4056 5.586139 374.3375 8.716622 
11.06805       10.35299 
1 1 1 6   15 7  o 254.3014 4.641729 658.0429       24.00380  652.0857       
28.79013  671.6266       43.47409  253.1036 5.593632 256.6931 8.328463 
-3.589493      10.03255 
1 1 1 6   15 8  o 124.8193 6.187340 158.6980       15.70497  146.3495       
20.16820  177.7205       25.03194  119.4869 8.352877 131.5994 9.416033 
-12.11255      12.58699 
1 1 1 6   15 9  o 546.1380 5.592000 3038.601       62.10420  3034.347       
87.09418  3043.001       88.58192  545.2386 7.855090 545.9824 7.978386 
-0.7437744     11.19630 
1 1 1 6   15 10 o 168.7646 5.799809 290.3629       19.90428  262.9385       
27.35234  321.2321       29.01936  160.1422 8.428858 177.2907 8.049160 
-17.14844      11.65481 
1 1 1 6   15 11 o 57.38407 13.87697 35.44027       16.01582  36.53754       
22.74473  34.36114       22.55602  58.70665 17.63370 57.21091 17.63763 
1.495747       24.94060 
1 1 1 6   15 12 o 213.2628 5.262729 463.8772       22.82325  454.2755       
31.94675  473.8863       32.61761  210.7148 7.455560 215.2154 7.452937 
-4.500610      10.54190 
1 1 1 6   15 13 o 233.8755 5.206325 558.1140       24.76096  549.2448       
34.18788  567.8992       35.91013  231.6253 7.258297 235.4717 7.499406 
-3.846359      10.43667 
1 1 1 6   15 14 o 274.6164 5.884593 770.7864       32.86202  750.9731       
41.41290  804.4759       54.00121  270.6180 7.525363 279.3897 9.504770 
-8.771667      12.12319 
1 1 1 6   15 15 o 242.5784 6.904953 603.0710       34.06154  626.6093       
39.36992  533.0126       67.92142  246.9857 7.838649 224.3554 14.97340 
22.63031       16.90110 
1 1 1 6   15 16 o 101.3952 10.64875 107.8808       21.62878  129.0949       
30.82450  87.30618       30.35630  109.8121 14.13159 88.80270 17.43246 
21.00941       22.44087 
1 1 1 6   15 17 o 144.5814 11.02776 220.0281       32.17830  220.0281       
32.17830  0.000000       0.000000  144.5814 11.02776 ?        ?        
0.000000       11.02776 
1 1 1 6   15 18 o 43.46065 16.35703 17.13890       19.65511  7.635993       
42.40615  19.73897       22.18163  50.85524 22.08065 46.12687 17.37341 
4.728374       28.09609 
1 1 1 6   15 19 o 81.72387 11.18498 73.13287       18.10027  78.82356       
25.98374  67.76828       25.22827  81.94026 16.16803 75.38417 16.87752 
6.556091       23.37211 
1 1 1 6   16 0  o 212.6704 3.363427 459.9978       14.54589  443.3148       
31.44585  464.5392       16.40669  208.6669 7.410686 213.7099 3.775243 
-5.043015      8.316894 
1 1 1 6   16 1  o 126.4257 3.854769 162.5687       9.910260  111.4051       
22.08776  175.4646       11.08910  104.0088 10.59088 131.3409 4.151880 
-27.33202      11.37562 
1 1 1 6   16 2  o 393.2770 6.127460 1573.849       49.00388  0.000000       
0.000000  1573.849       49.00388  ?        ?        393.2770 6.127460 
0.000000       6.127460 
1 1 1 6   16 3  o 309.6205 8.568446 976.2108       53.94898  0.000000       
0.000000  976.2108       53.94898  ?        ?        309.6205 8.568446 
0.000000       8.568446 
1 1 1 6   16 4  o 34.53308 12.41075 10.18729       11.10315  30.79151       
14.73073  -16.91726      16.89535  53.87469 13.47910 26.70549 12.49157 
27.16920       18.37731 
1 1 1 6   16 5  o 413.4438 4.772426 1739.023       40.12426  1731.125       
47.37172  1759.076       75.48125  412.4561 5.647940 415.5202 8.932962 
-3.064148      10.56868 
1 1 1 6   16 6  o 405.6670 8.958616 1677.396       73.90300  0.000000       
0.000000  1677.396       73.90300  ?        ?        405.6670 8.958616 
0.000000       8.958616 
1 1 1 6   16 7  o 263.4671 5.290325 706.5610       28.34394  699.4368       
36.31293  717.6689       45.34324  262.0410 6.814602 265.3091 8.404446 
-3.268005      10.82005 
1 1 1 6   16 8  o 201.1129 4.901906 411.7553       20.04732  408.8423       
23.83230  418.8044       37.07310  200.3477 5.849655 202.5299 9.001573 
-2.182251      10.73531 
1 1 1 6   16 9  o 208.2969 5.185061 441.9494       21.96283  455.0828       
30.76633  428.3021       31.36250  211.1959 7.163722 204.8506 7.528735 
6.345291       10.39234 
1 1 1 6   16 10 o 212.8691 5.199583 461.7820       22.50777  486.2468       
31.94987  437.6786       31.71303  218.2071 7.200270 206.9799 7.534564 
11.22716       10.42178 
1 1 1 6   16 11 o 143.8296 7.512409 212.1124       21.89622  206.7280       
37.28006  214.9480       27.05451  140.7694 13.17647 144.4802 9.257006 
-3.710800      16.10315 
1 1 1 6   16 12 o 79.02609 10.46659 65.39092       16.40618  82.21366       
23.79472  50.14629       22.65118  87.96831 13.75180 67.83242 16.56445 
20.13589       21.52888 
1 1 1 6   16 13 o 333.1610 5.003377 1132.425       33.89759  1086.988       
46.61546  1183.413       49.38085  325.8680 7.034559 339.9794 7.142571 
-14.11142      10.02504 
1 1 1 6   16 14 o 62.17167 15.00491 42.24014       18.75363  44.35324       
24.75556  39.39424       28.72912  63.55841 18.21543 61.06720 20.03244 
2.491207       27.07582 
1 1 1 6   16 15 o 89.60507 14.49958 86.48941       25.51786  87.89240       
28.34245  80.48438       58.63666  89.79259 16.11404 84.08306 28.63887 
5.709534       32.86103 
1 1 1 6   16 16 o 31.10492 14.12489 -10.14890      19.43273  -6.439152      
27.11121  -14.06880      27.86850  38.84540 17.23168 37.05547 16.86097 
1.789928       24.10857 
1 1 1 6   16 17 o 38.59315 15.82897 7.249144       19.85745  14.91795       
28.98417  0.4653878      27.26038  47.74056 19.29344 40.96756 17.74554 
6.773003       26.21338 
1 1 1 6   16 18 o 91.48525 23.48395 105.7073       43.91101  105.7073       
43.91101  0.000000       0.000000  91.48525 23.48395 ?        ?        
0.000000       23.48395 
1 1 1 6   16 19 f 166.7128 9.561085 296.8499       32.27819  296.8499       
32.27819  0.000000       0.000000  166.7128 9.561085 ?        ?        
0.000000       9.561085 
1 1 1 6   17 0  o 209.4796 4.020087 446.3422       17.12492  459.6171       
32.42274  441.2060       20.16750  212.4729 7.504032 208.2551 4.762170 
4.217819       8.887562 
1 1 1 6   17 1  o 502.7834 4.844070 2571.618       49.52709  2531.307       
100.2278  2584.642       56.96833  498.4216 9.888715 504.0139 5.558270 
-5.592255      11.34377 
1 1 1 6   17 2  o 65.13236 7.131247 43.69567       9.290914  46.71638       
13.30783  40.82325       12.97709  66.96967 10.08463 62.42970 10.60112 
4.539970       14.63160 
1 1 1 6   17 3  o 80.30950 17.15535 68.49146       27.16584  0.000000       
0.000000  68.49146       27.16584  ?        ?        80.30950 17.15535 
0.000000       17.15535 
1 1 1 6   17 4  o 310.5204 4.917904 980.9529       31.05429  971.0339       
39.72318  996.5430       49.80081  308.8892 6.323970 312.8421 7.828162 
-3.952881      10.06343 
1 1 1 6   17 5  o 715.4153 12.82336 5227.607       186.5571  0.000000       
0.000000  5227.607       186.5571  ?        ?        715.4153 12.82336 
0.000000       12.82336 
1 1 1 6   17 6  o 308.1391 5.019531 966.2379       31.45295  1001.789       
40.47374  912.0329       49.97670  313.6770 6.345112 299.1581 8.215149 
14.51892       10.38023 
1 1 1 6   17 7  o 96.97755 9.180799 96.81991       17.88966  107.8765       
24.07110  83.17747       26.73817  102.0266 11.82095 88.76226 15.36993 
13.26430       19.38993 
1 1 1 6   17 8  o 274.4771 4.419270 766.8528       24.66653  780.5753       
29.10127  731.8375       46.48630  276.8660 5.168814 267.7350 8.538241 
9.131012       9.980892 
1 1 1 6   17 9  o 185.2971 5.423526 349.8544       20.43627  327.0302       
28.10773  375.4512       29.76602  178.9544 7.723816 191.7552 7.633474 
-12.80077      10.85943 
1 1 1 6   17 10 o 87.91956 9.217725 80.04227       16.23500  63.33868       
22.62419  97.77502       23.31073  76.89402 15.00736 96.70004 12.12064 
-19.80602      19.29069 
1 1 1 6   17 11 o 306.1618 5.699603 956.3851       35.48518  827.0838       
58.41218  1032.016       44.67352  283.6551 10.12655 317.7774 6.913146 
-34.12231      12.26126 
1 1 1 6   17 12 o 155.7706 6.213638 247.8889       19.68261  232.8864       
27.86680  262.8239       27.80413  150.2953 9.161550 159.8260 8.586272 
-9.530685      12.55620 
1 1 1 6   17 13 o 169.9077 6.013036 295.0434       20.77583  306.5836       
29.20615  283.2220       29.55995  172.7947 8.311752 165.7575 8.801122 
7.037140       12.10558 
1 1 1 6   17 14 f 130.9804 8.359377 177.1107       22.14930  186.7041       
28.37769  162.1555       35.43135  133.9205 10.50451 123.4766 14.38015 
10.44392       17.80824 
1 1 1 6   17 15 o 59.66154 18.52907 38.62866       24.84181  41.64359       
27.42660  24.85719       58.61696  61.89372 19.50917 65.10371 26.99762 
-3.209984      33.30885 
1 1 1 6   17 16 o 184.5901 6.709523 349.7375       25.18555  390.4355       
35.83469  310.0103       35.40469  194.2801 9.070348 172.4743 10.13910 
21.80579       13.60414 
1 1 1 6   17 17 o 177.1315 10.04972 328.9176       36.05030  328.9176       
36.05030  0.000000       0.000000  177.1315 10.04972 ?        ?        
0.000000       10.04972 
1 1 1 6   17 18 o 44.91961 16.46694 20.00510       19.68014  99.12904       
41.93319  -2.346050      22.28712  88.25493 23.09689 35.62860 15.72287 
52.62632       27.94056 
1 1 1 6   17 19 o 27.68504 12.77030 -9.783916      16.73253  -8.699779      
24.47314  -10.73556      22.92900  34.38098 15.70448 32.63224 15.01467 
1.748734       21.72720 
1 1 1 6   18 0  o 163.3154 4.114748 271.2945       13.66538  309.0385       
27.60379  259.0412       15.72791  174.2205 7.791447 159.5728 4.846862 
14.64764       9.175985 
1 1 1 6   18 1  o 427.8084 4.387524 1861.665       38.16983  1771.277       
76.18719  1891.956       44.10419  417.0156 8.984177 431.2464 5.029246 
-14.23083      10.29605 
1 1 1 6   18 2  o 127.3065 6.215019 164.9248       16.08957  164.9248       
16.08957  0.000000       0.000000  127.3065 6.215019 ?        ?        
0.000000       6.215019 
1 1 1 6   18 3  f 373.5509 8.913304 1421.359       67.70800  0.000000       
0.000000  1421.359       67.70800  ?        ?        373.5509 8.913304 
0.000000       8.913304 
1 1 1 6   18 4  o 507.0078 5.129135 2615.425       52.88229  2654.110       
62.64701  2519.527       98.63581  510.6780 6.032561 497.1895 9.755763 
13.48853       11.47025 
1 1 1 6   18 5  o 662.5295 8.627854 4473.079       116.2410  4585.653       
170.2421  4374.755       159.1020  669.9910 12.49530 654.5332 11.95343 
15.45776       17.29211 
1 1 1 6   18 6  o 250.7851 5.371018 640.1609       27.39112  584.5405       
35.38070  723.3690       43.27450  239.5368 7.263445 266.4135 7.987749 
-26.87666      10.79638 
1 1 1 6   18 7  o 113.9411 7.924943 133.0333       18.24806  114.5978       
24.13562  157.6345       27.88098  105.2228 11.46526 123.6438 11.21068 
-18.42103      16.03532 
1 1 1 6   18 8  o 85.08569 8.482831 74.66212       14.48173  74.00487       
17.28329  76.21104       26.53215  84.42678 10.27902 84.56969 16.01423 
-0.1429138     19.02929 
1 1 1 6   18 9  o 201.7239 5.750784 414.8236       23.59043  385.6178       
29.68117  464.9164       38.87174  194.3154 7.511426 213.1615 8.967550 
-18.84613      11.69780 
1 1 1 6   18 10 o 262.5084 4.876331 702.2618       26.03082  672.0361       
36.29485  734.2779       37.35430  256.4942 6.958505 268.1281 6.850886 
-11.63391      9.765011 
1 1 1 6   18 11 o 81.11649 12.31800 69.50462       19.68012  61.58992       
35.71619  72.95535       23.58323  74.96589 21.99455 82.58295 14.57592 
-7.617065      26.38594 
1 1 1 6   18 12 o 130.9676 8.144323 176.5631       21.58312  180.4543       
36.39743  174.4528       26.80421  130.9148 13.88385 129.7184 10.24469 
1.196396       17.25442 
1 1 1 6   18 13 o 263.2204 5.116170 707.2366       27.38520  782.8753       
39.58666  637.8185       37.92389  276.4550 7.041628 249.4147 7.477207 
27.04030       10.27099 
1 1 1 6   18 14 o 49.28630 15.71291 25.44132       17.75241  -14.24594      
24.57230  68.77192       25.67542  34.48928 15.74708 79.10780 16.49480 
-44.61853      22.80458 
1 1 1 6   18 15 o 56.42636 18.97554 33.18602       25.73899  42.24887       
28.60306  -5.391021      59.01257  62.34394 19.95232 57.43287 25.45257 
4.911076       32.34082 
1 1 1 6   18 16 o 138.0133 11.78375 200.9873       32.75470  200.9873       
32.75470  0.000000       0.000000  138.0133 11.78375 ?        ?        
0.000000       11.78375 
1 1 1 6   18 17 f 61.52998 15.39305 42.71034       19.21227  56.38934       
28.91911  31.90333       25.70459  69.43222 19.61585 54.60958 18.94741 
14.82264       27.27244 
1 1 1 6   18 18 o 63.54162 15.62097 46.88897       20.04242  50.50206       
40.17335  45.69167       23.12603  64.38346 23.53844 62.02439 17.54790 
2.359066       29.35961 
1 1 1 6   18 19 o 140.5481 8.532589 210.0747       24.27152  196.5512       
29.78156  236.8237       41.88485  133.9880 11.02818 143.5080 14.55389 
-9.520004      18.26024 
1 1 1 6   19 0  o 249.6886 4.112224 634.1354       20.87983  625.0771       
38.04299  638.0403       24.97821  247.7886 7.549911 250.4363 4.904701 
-2.647720      9.003180 
1 1 1 6   19 1  o 630.1146 5.703093 4039.915       73.07713  4043.141       
148.5711  4038.885       83.93199  629.6575 11.60322 629.9620 6.551816 
-0.3045044     13.32520 
1 1 1 6   19 2  o 192.1889 3.838492 375.6839       15.00169  356.6669       
21.09739  395.1331       21.33581  187.2276 5.541245 197.0706 5.323974 
-9.842957      7.684406 
1 1 1 6   19 3  o 543.0302 5.217305 3000.250       57.61315  2944.545       
79.94509  3060.440       83.10113  537.7936 7.310123 548.2609 7.453636 
-10.46729      10.44005 
1 1 1 6   19 4  f 410.5996 4.648026 1715.225       38.80953  1747.837       
46.46387  1639.969       70.58186  414.4337 5.513266 401.1924 8.651452 
13.24130       10.25884 
1 1 1 6   19 5  o 90.99230 9.970680 85.46488       18.14724  119.6239       
34.19680  72.07442       21.41070  106.8156 16.25630 82.95818 13.12873 
23.85740       20.89571 
1 1 1 6   19 6  o 287.4581 4.508447 840.8788       26.35439  795.1279       
30.94070  961.8063       50.30285  279.4752 5.444218 307.1530 8.053534 
-27.67776      9.721055 
1 1 1 6   19 7  o 270.6428 4.495391 745.5551       24.74089  751.8561       
29.44417  730.4210       45.63255  271.7252 5.328660 267.5266 8.387959 
4.198547       9.937428 
1 1 1 6   19 8  o 215.2730 5.345141 472.1123       23.39915  490.2564       
30.16348  444.6934       37.07988  219.2424 6.765587 208.5891 8.741688 
10.65329       11.05397 
1 1 1 6   19 9  o 176.3376 5.089382 316.8595       18.24994  347.0745       
21.99753  250.1397       32.68814  184.4875 5.863482 155.8010 10.37671 
28.68642       11.91875 
1 1 1 6   19 10 o 173.1490 5.646064 305.8308       19.88004  296.8615       
28.48750  314.3453       27.75603  170.2794 8.226989 175.2850 7.786837 
-5.005630      11.32776 
1 1 1 6   19 11 o 194.6345 6.453269 387.0906       25.54178  393.9722       
45.33557  383.8905       30.91519  194.9937 11.48388 193.5985 7.852691 
1.395126       13.91202 
1 1 1 6   19 12 o 42.81289 16.06375 14.84456       18.92825  26.37651       
31.23680  8.153194       23.79429  55.27924 20.65660 42.51472 17.36949 
12.76452       26.98878 
1 1 1 6   19 13 o 196.5354 5.712380 394.7633       22.83017  361.0080       
31.55173  431.8580       33.07564  187.4167 8.278726 205.0744 7.931317 
-17.65778      11.46486 
1 1 1 6   19 14 o 194.8523 6.035293 388.5250       23.91416  334.3657       
32.75278  450.3651       34.99825  180.0743 8.944273 209.2137 8.226306 
-29.13942      12.15204 
1 1 1 6   19 15 o 205.6179 7.834035 435.0294       32.75652  445.5075       
37.53101  401.5273       67.10976  207.7275 8.884742 192.5154 17.32796 
15.21213       19.47298 
1 1 1 6   19 16 o 47.41454 16.40190 22.68009       19.25499  58.10416       
28.24043  -8.094620      26.32201  71.27537 19.09803 37.48439 16.77995 
33.79098       25.42245 
1 1 1 6   19 17 o 40.79846 15.65539 13.77223       18.22154  9.914276       
27.62706  16.74265       24.24183  44.40999 18.48510 45.66193 17.90884 
-1.251945      25.73763 
1 1 1 6   19 18 o 40.34916 15.24444 15.07341       17.11019  -6.389226      
27.01917  29.44272       22.10795  37.30779 16.82554 51.04925 17.57984 
-13.74146      24.33412 
1 1 1 6   19 19 o 81.04372 12.92679 74.94018       20.58823  74.14849       
24.91740  76.64361       36.54994  78.29222 16.18540 74.12997 22.37320 
4.162247       27.61390 
1 1 1 6   20 0  o 191.9260 3.373472 374.6283       13.16626  431.6351       
31.61902  362.6704       14.48147  205.9058 7.551415 188.8320 3.771250 
17.07376       8.440747 
1 1 1 6   20 1  o 434.1554 4.419389 1917.371       39.01744  2037.560       
84.00391  1884.310       44.05824  447.2191 9.236931 430.3674 5.034269 
16.85172       10.51973 
1 1 1 6   20 2  o 194.5914 3.839956 385.1440       15.19502  412.6954       
21.80914  359.1529       21.18257  201.3983 5.325144 187.8746 5.544458 
13.52367       7.687534 
1 1 1 6   20 3  o 415.9782 4.484301 1760.337       37.93296  1807.986       
54.41298  1715.286       52.90922  421.4567 6.348894 410.5107 6.338046 
10.94598       8.971025 
1 1 1 6   20 4  o 350.0225 5.131120 1246.713       36.52242  1255.160       
47.33449  1234.285       57.41341  351.1107 6.629520 348.0615 8.111588 
3.049255       10.47609 
1 1 1 6   20 5  o 170.6491 8.229935 296.8361       28.55958  0.000000       
0.000000  296.8361       28.55958  ?        ?        170.6491 8.229935 
0.000000       8.229935 
1 1 1 6   20 6  o 127.1446 6.167153 164.6560       15.94535  171.6108       
20.40702  153.7535       25.55044  129.5029 7.785218 122.2343 10.37714 
7.268639       12.97284 
1 1 1 6   20 7  o 274.5658 5.198315 767.7252       29.02422  721.8602       
36.72637  844.0193       47.36774  266.0889 6.787344 287.5589 8.100361 
-21.47006      10.56806 
1 1 1 6   20 8  o 110.8854 6.669511 125.8828       14.96908  111.7643       
17.72107  161.0479       27.96746  104.2305 8.432979 124.7937 11.13775 
-20.56316      13.97013 
1 1 1 6   20 9  o 190.2299 4.767235 368.7120       18.44152  346.0985       
21.36080  434.8997       36.54451  184.2213 5.701990 206.0954 8.719720 
-21.87408      10.41855 
1 1 1 6   20 10 o 162.9119 5.829254 270.8595       19.31156  229.5228       
26.76867  315.7221       27.88697  149.3490 8.853494 175.6278 7.808303 
-26.27885      11.80483 
1 1 1 6   20 11 o 164.4446 7.162220 276.7349       23.95073  316.1464       
43.74223  259.8601       28.62257  174.2262 12.42778 158.8336 8.897455 
15.39259       15.28445 
1 1 1 6   20 12 o 199.0931 6.397280 405.4166       25.90020  404.1825       
42.72122  406.1338       32.56797  197.4794 10.67793 198.9272 8.050912 
-1.447784      13.37294 
1 1 1 6   20 13 o 103.9124 8.837728 111.9837       18.49763  106.7396       
26.67291  116.8426       25.67484  100.1581 13.43444 105.2458 12.22410 
-5.087700      18.16350 
1 1 1 6   20 14 o 97.11579 10.04811 98.66001       19.55682  83.30754       
28.10078  113.0806       27.23460  87.11657 16.46563 103.0219 13.31123 
-15.90530      21.17323 
1 1 1 6   20 15 o 59.96362 18.90492 39.33801       25.75288  55.62797       
29.09845  -19.53464      55.31802  70.10326 19.63149 52.30442 23.78243 
17.79885       30.83828 
1 1 1 6   20 16 o 132.8428 8.361262 183.3271       22.47190  173.2147       
32.71246  192.3633       30.92311  127.3105 12.80958 134.8935 11.37927 
-7.583023      17.13397 
1 1 1 6   20 17 o 122.6216 12.32768 162.2748       30.32322  162.2748       
30.32322  0.000000       0.000000  122.6216 12.32768 ?        ?        
0.000000       12.32768 
1 1 1 6   20 18 o 47.46834 15.51378 25.58334       17.23612  15.90037       
24.77674  34.66361       23.99326  44.25721 17.85487 54.19140 18.32027 
-9.934189      25.58180 
1 1 1 6   21 0  o 396.9302 4.162810 1602.604       33.60100  1599.911       
70.46767  1603.396       38.22655  396.3220 8.743602 397.0046 4.734979 
-0.6826477     9.943370 
1 1 1 6   21 1  o 345.2458 8.343862 1213.985       58.57966  1213.985       
58.57966  0.000000       0.000000  345.2458 8.343862 ?        ?        
0.000000       8.343862 
1 1 1 6   21 2  o 339.2851 5.748601 1171.460       39.66234  1171.460       
39.66234  0.000000       0.000000  339.2851 5.748601 ?        ?        
0.000000       5.748601 
1 1 1 6   21 3  o 158.1054 4.461436 254.3145       14.34409  253.3685       
20.64241  255.1979       19.94668  157.7609 6.434423 158.3365 6.194955 
-0.5756073     8.931924 
1 1 1 6   21 4  o 255.1519 7.520579 663.2292       39.02129  0.000000       
0.000000  663.2292       39.02129  ?        ?        255.1519 7.520579 
0.000000       7.520579 
1 1 1 6   21 5  o 406.8026 5.456757 1684.708       45.14086  1667.273       
57.05590  1713.883       73.80811  404.5388 6.935679 409.8976 8.854771 
-5.358826      11.24769 
1 1 1 6   21 6  o 160.4700 5.940852 262.3042       19.38626  266.4394       
26.10511  257.2196       28.94727  161.6134 7.943223 158.4640 9.020394 
3.149368       12.01925 
1 1 1 6   21 7  o 81.75798 8.658720 69.05393       14.17670  65.72799       
17.43608  75.54131       24.35147  79.32732 11.11379 84.42080 14.72007 
-5.093483      18.44442 
1 1 1 6   21 8  o 235.7390 4.488756 565.9820       21.51834  584.7335       
25.54650  520.1836       39.92443  239.5401 5.244472 225.4859 8.706986 
14.05415       10.16445 
1 1 1 6   21 9  o 154.6661 5.308684 243.9107       16.69680  254.9226       
20.02577  218.7982       30.24137  158.0353 6.231372 145.5764 10.28160 
12.45888       12.02254 
1 1 1 6   21 10 o 118.2677 6.879567 143.4830       16.47397  139.5061       
19.98830  151.9058       29.08916  116.3388 8.507898 120.6457 12.01671 
-4.306885      14.72364 
1 1 1 6   21 11 o 248.1703 6.091424 629.3232       30.74114  614.2415       
55.11136  636.1353       37.03864  243.7777 11.11721 249.2392 7.307808 
-5.461578      13.30400 
1 1 1 6   21 12 o 168.6475 6.784021 291.2344       23.26583  246.9393       
37.52126  318.9039       29.65515  153.6768 12.10453 176.1750 8.277601 
-22.49821      14.66418 
1 1 1 6   21 13 o 204.7569 5.919320 428.9015       24.64688  448.6237       
34.39121  408.0760       35.34005  208.8571 8.097424 199.0109 8.732507 
9.846222       11.90903 
1 1 1 6   21 14 o 137.1242 7.710711 193.9581       21.41380  138.3291       
30.50558  247.9977       30.06658  113.9820 13.41805 154.5247 9.615962 
-40.54272      16.50790 
1 1 1 6   21 15 f 125.6890 10.87610 165.9035       27.52458  178.9367       
31.33098  121.8291       57.61604  130.1382 11.97337 99.64610 27.52352 
30.49207       30.01509 
1 1 1 6   21 16 o 56.78085 16.04332 36.16724       19.34349  30.53712       
28.48378  40.98618       26.35206  54.81450 19.85356 60.31979 19.13497 
-5.505287      27.57374 
1 1 1 6   21 17 o 32.36441 14.14340 -1.211672      17.63953  5.970790       
27.59837  -6.172295      22.93585  42.41336 18.10498 34.82623 15.62153 
7.587135       23.91281 
1 1 1 6   21 18 o 25.89585 12.22996 -15.92348      16.89233  -24.71994      
24.25182  -7.633916      23.54270  30.01945 14.31417 34.10209 15.50944 
-4.082638      21.10540 
1 1 1 6   22 0  f 199.2096 3.401784 403.6152       13.78061  383.1678       
31.49797  408.4557       15.32516  193.9715 7.985338 200.3941 3.760699 
-6.422668      8.826578 
1 1 1 6   22 1  o 446.5968 9.365442 2032.638       85.05412  2032.638       
85.05412  0.000000       0.000000  446.5968 9.365442 ?        ?        
0.000000       9.365442 
1 1 1 6   22 2  o 580.4386 5.430662 3428.525       64.10036  3435.309       
90.70884  3421.758       90.59449  580.7630 7.680672 579.6157 7.686174 
1.147278       10.86600 
1 1 1 6   22 3  o 299.4053 5.797391 912.4776       35.29746  0.000000       
0.000000  912.4776       35.29746  ?        ?        299.4053 5.797391 
0.000000       5.797391 
1 1 1 6   22 4  o 239.7720 4.590742 585.0219       22.38375  589.0764       
28.37212  578.3383       36.42733  240.5431 5.800259 238.2354 7.519165 
2.307724       9.496360 
1 1 1 6   22 5  o 332.3344 5.184915 1124.393       35.04035  1138.565       
45.49924  1103.737       54.93195  334.2821 6.693288 328.9559 8.211754 
5.326233       10.59401 
1 1 1 6   22 6  o 127.8337 6.733074 167.0556       17.44120  153.9400       
23.56462  182.9447       25.93683  122.3530 9.546517 133.4342 9.623277 
-11.08120      13.55520 
1 1 1 6   22 7  o 344.5756 4.497929 1209.027       31.51726  1237.690       
37.59953  1141.301       57.79715  348.5348 5.304994 334.1465 8.505857 
14.38824       10.02460 
1 1 1 6   22 8  o 232.1340 4.483683 548.8912       21.16533  549.1006       
24.96826  548.3564       39.89745  232.0958 5.290169 231.4819 8.475722 
0.6139221      9.991184 
1 1 1 6   22 9  o 199.0121 4.665658 403.6454       18.88181  413.2040       
22.33331  379.6892       35.35612  201.2678 5.456666 192.3963 9.036840 
8.871567       10.55650 
1 1 1 6   22 10 o 190.7500 4.861208 371.0509       18.85646  368.4398       
22.02985  378.2062       36.46878  189.9724 5.702559 191.8185 9.349308 
-1.846100      10.95120 
1 1 1 6   22 11 o 69.29953 11.00275 50.82730       14.98722  42.52447       
19.60749  62.49516       23.24366  62.41352 15.51543 75.81229 15.59732 
-13.39877      22.00011 
1 1 1 6   22 12 o 60.60423 14.11765 40.02646       17.07532  20.97530       
23.75372  60.39771       24.56290  48.83816 18.05974 74.04212 16.71023 
-25.20396      24.60459 
1 1 1 6   22 13 o 250.6765 5.910672 643.0442       30.13019  643.9825       
38.64448  641.5895       48.11727  250.3389 7.591154 249.1330 9.497696 
1.205856       12.15861 
1 1 1 6   22 14 o 90.79977 10.57084 86.78422       19.15313  82.24532       
27.67572  90.95622       26.53358  86.41481 16.34803 91.59473 14.74587 
-5.179916      22.01588 
1 1 1 6   22 15 o 164.0076 7.262739 276.8660       24.22233  258.8096       
34.12799  295.1949       34.38455  157.0998 10.74731 168.1143 10.10483 
-11.01443      14.75168 
1 1 1 6   22 16 o 130.0849 12.40054 181.3878       32.40625  181.3878       
32.40625  0.000000       0.000000  130.0849 12.40054 ?        ?        
0.000000       12.40054 
1 1 1 6   22 17 o 74.04556 12.60228 60.72762       18.29601  48.49877       
27.78136  70.09370       24.31306  63.36477 19.58081 77.95952 15.87565 
-14.59475      25.20802 
1 1 1 6   22 18 o 39.12734 15.13521 13.99998       17.13080  38.08543       
25.05830  -7.133618      23.47259  55.50417 18.72267 34.01395 15.47591 
21.49022       24.29078 
1 1 1 6   23 0  o 246.9890 3.503526 620.4727       17.59683  665.5277       
41.19571  610.4172       19.46165  255.6226 7.925037 244.9695 3.906755 
10.65312       8.835664 
1 1 1 6   23 1  o 311.0558 4.573376 984.3877       28.92854  928.8380       
50.76369  1011.103       35.20414  301.9405 8.267617 315.2054 5.492229 
-13.26492      9.925627 
1 1 1 6   23 2  o 230.1149 3.883370 538.6726       18.17209  545.0090       
25.92995  532.5568       25.47454  231.4066 5.510292 228.7491 5.476404 
2.657455       7.768804 
1 1 1 6   23 3  o 438.7697 5.257112 1959.480       46.90674  2027.271       
59.62455  1849.388       75.98286  446.1663 6.571688 425.8754 8.773678 
20.29086       10.96196 
1 1 1 6   23 4  o 239.5800 4.616529 584.1545       22.49146  596.6653       
28.81792  564.6576       35.97505  242.0634 5.854396 235.3670 7.516304 
6.696442       9.527266 
1 1 1 6   23 5  o 312.2534 5.129183 992.7643       32.56918  977.9264       
42.21166  1014.592       51.19760  309.7574 6.701304 315.3525 7.983657 
-5.595093      10.42335 
1 1 1 6   23 6  o 145.8599 6.120081 216.8557       18.15284  208.1368       
24.44187  227.5810       27.10872  142.4874 8.473619 148.9425 8.992496 
-6.455139      12.35586 
1 1 1 6   23 7  o 164.3311 5.885818 275.3545       19.66880  263.6443       
26.14848  290.6140       29.84921  160.6055 8.006350 168.3116 8.751207 
-7.706085      11.86108 
1 1 1 6   23 8  o 149.5625 5.227012 228.0554       15.89745  211.9721       
18.61564  271.3833       30.55441  144.0995 6.352786 162.4218 9.289341 
-18.32231      11.25388 
1 1 1 6   23 9  o 209.4013 5.519516 447.4286       23.50346  470.0830       
30.28300  413.1089       37.27297  214.4153 6.945311 200.5917 9.137548 
13.82367       11.47746 
1 1 1 6   23 10 o 188.0151 4.904659 360.5796       18.75223  357.9937       
21.85740  367.7909       36.50011  187.2287 5.740830 188.8140 9.537110 
-1.585297      11.13165 
1 1 1 6   23 11 o 155.9151 6.434183 248.7277       20.40014  231.9979       
25.30538  279.7824       34.47714  150.0404 8.326492 164.2311 10.37680 
-14.19066      13.30445 
1 1 1 6   23 12 o 37.59645 14.77651 9.238694       16.53598  -8.891769      
22.47784  30.62462       24.41261  34.40372 15.44610 54.63567 18.47963 
-20.23195      24.08482 
1 1 1 6   23 13 o 116.2232 8.791578 140.1633       20.62467  125.0581       
27.40973  159.8781       31.31401  108.5628 12.65311 122.8857 12.71492 
-14.32293      17.93796 
1 1 1 6   23 14 o 48.21809 16.47135 23.56056       19.39672  33.94322       
29.61485  15.76056       25.66863  57.63887 20.31595 46.74449 18.39799 
10.89438       27.40847 
1 1 1 6   23 15 o 135.4037 8.111698 190.1436       22.23253  197.0086       
32.62661  184.1926       30.37688  136.3329 11.88740 131.9968 11.42973 
4.336075       16.49088 
1 1 1 6   23 16 o 109.0758 9.442645 125.3484       20.73806  148.2440       
31.63699  108.0988       27.46055  116.6217 13.59544 99.18658 14.00417 
17.43510       19.51801 
1 1 1 6   23 17 f 95.85538 10.24764 98.84919       19.66572  69.78905       
30.58954  119.3212       25.67466  74.99738 19.77517 104.1717 12.36124 
-29.17436      23.32075 
1 1 1 6   23 18 o 28.89362 12.95636 -3.682622      15.76424  1.160349       
22.95574  -8.004814      21.68639  36.27418 15.98496 32.22537 14.74401 
4.048805       21.74637 
1 1 1 6   24 0  o 118.6862 3.712268 143.2866       8.959648  108.0475       
24.80503  148.5740       9.608333  102.1382 12.18304 120.8534 3.909650 
-18.71513      12.79499 
1 1 1 6   24 1  o 390.8750 4.970166 1554.726       39.50575  1525.169       
69.33339  1568.935       48.07295  386.8014 8.814607 392.5818 6.021700 
-5.780426      10.67512 
1 1 1 6   24 2  o 209.9539 5.542875 448.7057       23.66522  0.000000       
0.000000  448.7057       23.66522  ?        ?        209.9539 5.542875 
0.000000       5.542875 
1 1 1 6   24 3  o 353.7743 4.750176 1273.760       34.17334  1297.995       
43.14723  1232.971       55.97607  357.0279 5.942912 347.7698 7.915149 
9.258118       9.897868 
1 1 1 6   24 4  o 328.8563 4.798045 1100.865       32.08647  1112.185       
40.31559  1081.302       52.99597  330.4357 5.999770 325.5874 8.004308 
4.848297       10.00331 
1 1 1 6   24 5  o 362.1498 5.310267 1335.812       39.10714  1305.419       
49.80165  1384.697       63.16074  357.8029 6.844605 368.2350 8.434722 
-10.43210      10.86247 
1 1 1 6   24 6  o 198.2189 4.624614 400.1360       18.64112  401.0159       
22.81231  398.3676       32.33932  198.3580 5.655461 197.4592 8.053824 
0.8988342      9.841155 
1 1 1 6   24 7  o 94.02444 7.302510 90.86145       13.85300  93.63824       
17.26123  85.83639       23.22050  95.19558 9.024499 90.30219 13.02144 
4.893387       15.84297 
1 1 1 6   24 8  o 198.0399 5.453476 400.0616       21.96228  398.9671       
28.11311  401.7755       35.18094  197.5634 6.997632 197.9648 8.739130 
-0.4013824     11.19550 
1 1 1 6   24 9  o 127.0824 5.812404 164.9078       15.02079  179.7021       
18.15001  132.7500       26.75922  132.3910 6.764240 112.6792 11.85613 
19.71177       13.65001 
1 1 1 6   24 10 o 162.3951 6.463290 269.7466       21.34411  254.7470       
27.12746  294.1229       34.58229  157.2493 8.515112 168.5541 10.13648 
-11.30481      13.23840 
1 1 1 6   24 11 o 210.8140 6.390119 454.8802       27.39427  434.4214       
36.97337  479.7807       40.78990  205.3965 8.852065 215.7129 9.298761 
-10.31638      12.83846 
1 1 1 6   24 12 o 215.0112 4.740723 472.0074       20.72798  480.1554       
25.88008  457.4288       34.61785  216.6183 5.875149 210.8349 8.074323 
5.783417       9.985593 
1 1 1 6   24 13 o 54.98714 16.32130 33.04226       19.57100  14.08858       
26.47978  55.86044       29.05415  46.46613 18.55936 70.26078 19.59569 
-23.79465      26.98965 
1 1 1 6   24 14 o 71.28351 14.02231 55.60844       19.60222  28.09685       
28.99185  78.77676       26.60513  54.25903 19.97199 84.39539 16.08957 
-30.13636      25.64672 
1 1 1 6   24 15 o 98.73300 10.36839 103.0337       20.50646  103.7583       
29.51054  102.3571       28.51605  96.92306 15.49455 96.47681 15.02408 
0.4462509      21.58249 
1 1 1 6   24 16 o 249.1522 8.247400 646.6517       41.78623  646.6517       
41.78623  0.000000       0.000000  249.1522 8.247400 ?        ?        
0.000000       8.247400 
1 1 1 6   24 17 o 42.68895 16.22699 17.52986       19.46145  -25.17139      
37.85204  32.87386       22.69020  38.98657 18.38021 52.90112 17.81617 
-13.91455      25.59782 
1 1 1 6   24 18 o 38.85976 14.77156 15.01138       16.12706  39.42448       
24.30301  -4.196969      21.55727  55.42083 18.43664 33.18927 14.99292 
22.23156       23.76336 
1 1 1 6   25 0  o 360.4295 4.005716 1321.613       29.35972  1293.439       
62.32713  1329.647       33.28381  356.2085 8.604417 361.4955 4.527712 
-5.286987      9.722971 
1 1 1 6   25 1  o 333.4933 4.668121 1131.755       31.65779  1157.328       
58.12359  1120.969       37.74829  336.9216 8.483444 331.8408 5.593918 
5.080750       10.16173 
1 1 1 6   25 2  o 371.0136 5.981055 1401.702       45.12519  1401.702       
45.12519  0.000000       0.000000  371.0136 5.981055 ?        ?        
0.000000       5.981055 
1 1 1 6   25 3  o 311.8766 7.587938 991.7355       48.12358  0.000000       
0.000000  991.7355       48.12358  ?        ?        311.8766 7.587938 
0.000000       7.587938 
1 1 1 6   25 4  o 153.6863 6.230929 240.6943       19.47330  240.6943       
19.47330  0.000000       0.000000  153.6863 6.230929 ?        ?        
0.000000       6.230929 
1 1 1 6   25 5  o 113.1654 8.968180 131.7483       20.46908  207.8895       
44.83867  111.7034       23.00618  140.8990 15.92899 103.7984 11.07019 
37.10061       19.39799 
1 1 1 6   25 6  o 201.7433 4.562966 414.5575       18.71966  414.8377       
22.84052  413.9840       32.67165  201.7247 5.567952 201.2390 7.983759 
0.4856873      9.733576 
1 1 1 6   25 7  o 234.7568 4.445193 561.4687       21.22073  567.3922       
25.43245  547.8932       38.50152  235.8924 5.301792 231.3504 8.183825 
4.542084       9.751101 
1 1 1 6   25 8  o 68.50279 9.496068 49.11145       12.87250  49.49625       
15.21798  48.14367       24.13370  68.38314 11.34089 66.41506 17.59017 
1.968079       20.92916 
1 1 1 6   25 9  o 172.1792 4.958393 302.4365       17.36093  309.0851       
20.45047  285.2827       32.84867  173.9572 5.781087 166.1532 9.764970 
7.803940       11.34793 
1 1 1 6   25 10 o 166.5870 6.063993 283.7594       20.54240  283.7594       
20.54240  0.000000       0.000000  166.5870 6.063993 ?        ?        
0.000000       6.063993 
1 1 1 6   25 11 o 217.5110 6.417808 484.5029       28.38699  483.7248       
39.40612  485.3423       40.92762  216.6079 8.946183 216.8558 9.280983 
-0.2478943     12.89073 
1 1 1 6   25 12 o 94.86037 8.293280 93.41061       15.83709  97.11646       
18.87221  84.58760       29.11974  96.36389 9.765547 87.47017 16.98335 
8.893723       19.59082 
1 1 1 6   25 13 o 178.9922 6.306977 328.5489       22.95656  306.0145       
32.41528  351.2235       32.51590  171.6438 9.321847 184.3683 8.672775 
-12.72450      12.73239 
1 1 1 6   25 14 o 135.2411 8.073292 189.5326       22.10166  167.2014       
32.19140  209.4456       30.39854  125.1992 12.82508 141.2300 10.66321 
-16.03085      16.67893 
1 1 1 6   25 15 o 43.94583 16.26347 17.83470       19.27105  6.441023       
28.38531  27.57635       26.24688  43.64355 18.48601 52.32845 19.04197 
-8.684898      26.53920 
1 1 1 6   25 16 o 63.78136 13.92964 46.00471       17.56098  46.68686       
27.60274  45.54087       22.76151  62.47885 19.55258 62.21290 17.34189 
0.2659492      26.13512 
1 1 1 6   25 17 o 59.22884 15.92195 42.16584       19.59059  51.84669       
35.05036  37.76751       23.62542  62.78339 22.10480 55.56142 18.16321 
7.221970       28.60987 
1 1 1 6   25 18 o 50.37381 15.09560 31.12134       16.68273  18.39682       
24.03629  42.94851       23.17326  43.42572 17.56265 57.36078 17.90937 
-13.93507      25.08371 
1 1 1 6   26 0  o 424.8346 4.366557 1836.497       37.72337  1790.362       
78.62641  1850.293       42.99504  418.9146 9.229784 426.3805 4.958720 
-7.465912      10.47749 
1 1 1 6   26 1  o 216.0503 4.467521 475.0141       19.62786  510.8025       
38.42623  462.3803       22.83096  223.7928 8.443651 213.1219 5.267987 
10.67091       9.952232 
1 1 1 6   26 2  o 519.0887 9.810951 2752.506       103.5629  0.000000       
0.000000  2752.506       103.5629  ?        ?        519.0887 9.810951 
0.000000       9.810951 
1 1 1 6   26 3  o 444.6519 4.658454 2012.756       42.12243  2038.066       
59.93957  1988.060       59.20740  447.1661 6.591637 441.6461 6.592501 
5.520081       9.322594 
1 1 1 6   26 4  o 215.5832 5.909238 473.6534       25.90585  473.6534       
25.90585  0.000000       0.000000  215.5832 5.909238 ?        ?        
0.000000       5.909238 
1 1 1 6   26 5  o 93.34601 8.102304 89.72024       15.22742  119.0888       
21.79544  61.71551       21.28333  107.3240 10.10559 76.10641 14.27646 
31.21760       17.49115 
1 1 1 6   26 6  o 153.9422 5.082036 241.5476       15.90914  242.3057       
19.58810  240.0781       27.26962  154.0867 6.251380 152.8494 8.810653 
1.237259       10.80312 
1 1 1 6   26 7  o 49.89990 11.78204 26.72441       11.76418  18.72537       
14.49932  42.13533       20.12534  43.27616 14.23306 62.32199 15.84495 
-19.04583      21.29888 
1 1 1 6   26 8  o 179.2064 4.797041 327.5096       17.48149  325.5468       
20.94703  332.0137       31.73133  178.5499 5.769144 179.8270 8.677245 
-1.277084      10.42006 
1 1 1 6   26 9  o 27.11914 11.90977 -2.921179      12.64515  -9.869014      
15.22029  12.56090       22.72024  27.01936 12.35836 43.87322 17.29600 
-16.85386      21.25748 
1 1 1 6   26 10 o 130.8314 7.145042 176.0167       18.93747  176.0167       
18.93747  0.000000       0.000000  130.8314 7.145042 ?        ?        
0.000000       7.145042 
1 1 1 6   26 11 o 163.8818 6.945411 275.5495       23.14622  292.4439       
32.51239  258.1870       32.95959  167.8999 9.561980 157.4556 10.35141 
10.44437       14.09196 
1 1 1 6   26 12 o 135.6881 6.388257 188.8024       17.62689  183.2131       
20.93769  202.4041       32.66208  133.1777 7.764859 138.6664 11.69207 
-5.488739      14.03558 
1 1 1 6   26 13 o 195.9645 5.456763 393.1059       21.74522  375.2708       
26.01352  434.4769       39.61954  191.1433 6.692502 204.6149 9.521839 
-13.47153      11.63851 
1 1 1 6   26 14 o 153.4926 7.436305 243.0041       23.21111  247.3249       
34.26021  239.3383       31.55710  153.1730 11.07370 151.0104 10.33856 
2.162613       15.14967 
1 1 1 6   26 15 f 83.00565 12.17160 74.76292       19.93470  63.91043       
29.26966  84.15222       27.22509  73.53996 19.32127 86.28133 16.10922 
-12.74137      25.15589 
1 1 1 6   26 16 o 115.6407 13.50648 148.4149       31.16335  148.4149       
31.16335  0.000000       0.000000  115.6407 13.50648 ?        ?        
0.000000       13.50648 
1 1 1 6   26 17 o 32.63361 14.25127 0.8276679      17.88230  -15.78778      
31.57793  8.671364       21.69642  36.72025 17.14351 38.63823 16.25250 
-1.917984      23.62295 
1 1 1 6   27 0  o 288.0520 5.188691 844.6931       30.39346  823.9355       
49.02882  857.6486       38.73391  284.1976 8.483588 290.1451 6.564847 
-5.947510      10.72700 
1 1 1 6   27 1  o 129.3842 5.679441 170.4847       14.94302  165.9653       
28.70640  172.1646       17.50109  126.8709 11.24313 129.8118 6.652132 
-2.940903      13.06365 
1 1 1 6   27 2  o 278.8741 4.391761 791.6102       24.90568  776.8957       
31.36199  816.7347       40.98081  276.1774 5.584240 283.0141 7.120672 
-6.836731      9.049183 
1 1 1 6   27 3  o 205.0845 4.086723 428.1171       17.04353  424.9474       
24.07576  431.3014       24.13071  204.2108 5.797623 205.7342 5.767827 
-1.523361      8.178036 
1 1 1 6   27 4  o 90.36585 8.794137 84.29845       15.95554  84.29845       
15.95554  0.000000       0.000000  90.36585 8.794137 ?        ?        
0.000000       8.794137 
1 1 1 6   27 5  o 89.62067 8.163946 82.82756       14.71533  86.04183       
21.28989  79.88726       20.36233  90.68017 11.82702 87.33585 11.76456 
3.344315       16.68182 
1 1 1 6   27 6  o 295.2772 5.034236 888.9033       30.22838  884.0965       
38.99421  896.1417       47.85142  294.2095 6.517663 295.8806 7.952925 
-1.671112      10.28246 
1 1 1 6   27 7  o 177.7576 4.696417 322.1537       16.97643  321.4529       
20.51159  323.6777       30.24788  177.4518 5.684175 177.6509 8.372901 
-0.1991425     10.12004 
1 1 1 6   27 8  o 240.2873 4.414902 588.6789       21.57264  605.5850       
25.90089  550.3890       38.97946  243.5784 5.229070 231.5420 8.278558 
12.03645       9.791716 
1 1 1 6   27 9  o 60.75752 10.97937 39.36152       13.06602  25.56297       
15.73900  69.95704       23.43631  48.96873 14.65967 80.38815 14.88477 
-31.41942      20.89168 
1 1 1 6   27 10 o 71.68621 12.17959 54.99854       17.11971  54.99854       
17.11971  0.000000       0.000000  71.68621 12.17959 ?        ?        
0.000000       12.17959 
1 1 1 6   27 11 o 70.26355 13.66653 53.69092       18.82419  42.94177       
26.24633  65.07730       27.01309  62.29928 18.99431 76.21861 17.75806 
-13.91933      26.00255 
1 1 1 6   27 12 o 126.5688 8.290030 166.0487       21.21916  149.7433       
27.97446  188.1407       32.56216  119.0321 11.70853 133.3609 12.13988 
-14.32887      16.86613 
1 1 1 6   27 13 o 150.3812 7.791059 233.9114       23.74376  281.7609       
32.96413  182.3192       34.22909  164.2454 9.916038 130.6693 13.05640 
33.57616       16.39504 
1 1 1 6   27 14 o 104.0573 9.966364 114.1385       20.83125  130.0363       
30.89884  100.8920       28.20482  109.2262 14.25075 95.68154 14.98798 
13.54465       20.68148 
1 1 1 6   27 15 o 129.7670 8.359014 176.2412       21.94088  127.0105       
31.61044  222.0098       30.47867  106.7134 14.97924 144.5949 10.43565 
-37.88158      18.25597 
1 1 1 6   27 16 o 22.62202 11.06118 -29.16357      16.91090  -2.979326      
27.00025  -46.06547      21.69279  38.15160 17.04265 23.87905 11.83672 
14.27255       20.74994 
1 1 1 6   27 17 o 39.39113 14.90503 15.66766       16.37242  12.92359       
24.00029  18.05619       22.39153  41.30938 17.21471 43.06866 17.10947 
-1.759281      24.27098 
1 1 1 6   28 0  o 193.3923 6.543108 381.1464       25.73207  400.4890       
36.36412  361.7472       36.41724  198.0345 9.029855 187.9236 9.561145 
10.11092       13.15119 
1 1 1 6   28 1  o 492.1697 6.855105 2469.727       68.60889  2411.130       
99.80399  2522.229       94.47079  485.5115 10.10874 496.7849 9.351423 
-11.27344      13.77083 
1 1 1 6   28 2  o 104.9683 5.633018 112.5880       11.98012  95.85725       
16.05206  133.6249       17.99961  96.52941 8.256938 114.1456 7.801209 
-17.61622      11.35940 
1 1 1 6   28 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 6   28 4  o 88.17984 10.92633 81.07661       19.17312  81.07661       
19.17312  0.000000       0.000000  88.17984 10.92633 ?        ?        
0.000000       10.92633 
1 1 1 6   28 5  o 192.3118 4.465875 376.8127       17.46481  396.6221       
21.77538  341.0907       29.24131  197.2053 5.429948 182.5743 7.875999 
14.63098       9.566384 
1 1 1 6   28 6  o 135.9058 5.378638 188.4497       14.86489  189.5293       
18.65251  186.5706       24.60824  136.1612 6.736469 134.5084 9.049257 
1.652847       11.28136 
1 1 1 6   28 7  o 113.5759 6.053756 132.1832       13.93133  131.9803       
17.40530  132.5448       23.23993  113.2359 7.602784 112.9273 10.23118 
0.3086319      12.74674 
1 1 1 6   28 8  o 32.65321 12.64395 7.310523       11.96507  1.691922       
14.34103  20.18003       21.70437  31.37724 13.20667 47.45642 17.30881 
-16.07919      21.77179 
1 1 1 6   28 9  o 201.2164 5.141990 413.5363       21.04002  432.5917       
26.39813  380.3491       34.83770  205.5644 6.315007 192.1047 8.917847 
13.45969       10.92737 
1 1 1 6   28 10 o 44.70176 15.04506 20.14829       16.18060  20.14829       
16.18060  0.000000       0.000000  44.70176 15.04506 ?        ?        
0.000000       15.04506 
1 1 1 6   28 11 o 151.8533 6.713346 236.7522       20.73073  197.9088       
25.83707  306.9543       34.73444  137.9436 9.264409 171.6284 9.995490 
-33.68475      13.62861 
1 1 1 6   28 12 o 45.17850 16.33949 19.22161       19.28268  57.20608       
26.46885  -23.73575      28.14822  70.95263 18.24322 34.49363 16.13100 
36.45900       24.35209 
1 1 1 6   28 13 o 103.9220 8.406590 112.5136       17.61338  121.0096       
21.60246  95.66478       30.42138  107.2715 10.01901 92.51711 16.78811 
14.75437       19.55047 
1 1 1 6   28 14 o 60.10872 14.25958 40.48808       17.16691  41.46675       
20.70369  38.33474       30.71035  60.31337 16.43316 59.02762 20.69728 
1.285751       26.42776 
1 1 1 6   28 15 o 82.28378 13.64570 75.53129       22.03290  35.51259       
29.28340  127.7448       33.44886  56.21843 20.16031 105.8811 16.03710 
-49.66269      25.76095 
1 1 1 6   28 16 o 148.4224 10.52605 238.8471       31.56388  238.8471       
31.56388  0.000000       0.000000  148.4224 10.52605 ?        ?        
0.000000       10.52605 
1 1 1 6   28 17 o 29.68295 13.33292 -3.085204      16.76911  -12.74914      
24.18340  5.864822       23.27300  32.16133 15.01090 37.62980 16.34806 
-5.468464      22.19429 
1 1 1 6   29 0  o 172.6082 6.862073 303.8320       24.08619  360.0030       
34.63256  251.2099       33.52068  187.6792 9.074380 156.2762 10.61083 
31.40300       13.96188 
1 1 1 6   29 1  f 241.2585 5.170113 592.9131       25.36495  559.3752       
42.10744  612.0142       31.77750  233.9180 8.852049 244.9955 6.378378 
-11.07745      10.91066 
1 1 1 6   29 2  o 369.4786 5.950678 1391.850       44.71025  0.000000       
0.000000  1391.850       44.71025  ?        ?        369.4786 5.950678 
0.000000       5.950678 
1 1 1 6   29 3  o 167.9486 4.182987 287.2412       14.28612  267.4774       
20.29571  306.6504       20.11278  161.9210 6.163815 173.4148 5.703410 
-11.49377      8.397708 
1 1 1 6   29 4  o 65.07043 14.32301 45.59962       18.43904  45.59962       
18.43904  0.000000       0.000000  65.07043 14.32301 ?        ?        
0.000000       14.32301 
1 1 1 6   29 5  f 101.8972 6.410928 106.4902       13.21645  109.6680       
17.05508  101.7134       20.91046  103.1340 8.199756 98.83650 10.56764 
4.297478       13.37576 
1 1 1 6   29 6  o 39.57091 12.76587 15.86829       11.69138  -0.3103030     
14.75358  43.17666       19.16792  30.79166 13.19310 62.99322 15.14907 
-32.20156      20.08861 
1 1 1 6   29 7  o 118.1759 5.851557 142.7268       14.06215  144.7132       
17.54643  139.1604       23.51157  118.6060 7.310589 115.6882 10.09518 
2.917747       12.46424 
1 1 1 6   29 8  o 81.10645 8.214710 68.30570       13.36187  56.92059       
16.48357  90.12303       22.81831  73.20863 11.44720 92.18272 12.49456 
-18.97408      16.94557 
1 1 1 6   29 9  o 112.9225 6.572051 131.1276       15.02625  110.7387       
18.03353  177.4319       27.17657  103.2931 8.665427 130.4266 10.33106 
-27.13358      13.48408 
1 1 1 6   29 10 o 63.92165 13.93869 44.76982       17.60785  44.76982       
17.60785  0.000000       0.000000  63.92165 13.93869 ?        ?        
0.000000       13.93869 
1 1 1 6   29 11 o 127.9863 6.648865 168.7004       17.24503  159.2960       
20.58059  190.8672       31.59687  123.9410 8.212189 134.4413 11.67327 
-10.50024      14.27253 
1 1 1 6   29 12 o 58.52708 15.88352 38.28253       19.38695  57.87396       
26.83321  16.88736       28.04125  71.16783 18.40416 48.20747 19.14802 
22.96037       26.55861 
1 1 1 6   29 13 o 179.6143 5.850074 331.1913       21.36750  357.3840       
26.14699  278.5312       37.07419  186.2320 6.904240 162.2573 11.30678 
23.97470       13.24808 
1 1 1 6   29 14 o 69.20648 12.64047 52.73846       17.13388  42.25125       
20.56420  76.54618       30.98422  60.63407 16.31832 80.38226 19.21591 
-19.74820      25.20990 
1 1 1 6   29 15 o 70.18871 10.83712 53.78168       14.96982  40.74385       
19.45791  72.69066       23.43299  58.93376 15.87861 79.58565 15.02999 
-20.65189      21.86392 
1 1 1 6   29 16 o 93.12407 9.659134 94.16866       18.02554  81.29019       
26.89281  104.6744       24.28945  81.51639 16.78251 96.08260 12.74604 
-14.56622      21.07401 
1 1 1 6   29 17 o 46.48811 15.07968 26.65133       16.29673  30.33680       
24.19876  23.59256       22.04554  48.88561 18.19815 44.93818 17.22562 
3.947437       25.05782 
1 1 1 6   30 0  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 6   30 1  o 43.66253 10.86724 20.33631       9.610745  0.000000       
0.000000  20.33631       9.610745  ?        ?        43.66253 10.86724 
0.000000       10.86724 
1 1 1 6   30 2  o 234.7125 5.564849 561.7103       26.56079  561.7103       
26.56079  0.000000       0.000000  234.7125 5.564849 ?        ?        
0.000000       5.564849 
1 1 1 6   30 3  o 83.79031 8.491029 72.63237       14.26811  0.000000       
0.000000  72.63237       14.26811  ?        ?        83.79031 8.491029 
0.000000       8.491029 
1 1 1 6   30 4  o 101.6452 9.988857 107.2472       20.38019  107.2472       
20.38019  0.000000       0.000000  101.6452 9.988857 ?        ?        
0.000000       9.988857 
1 1 1 6   30 5  o 92.06641 6.716942 87.14600       12.48870  94.52101       
16.48090  77.20015       19.13906  95.58542 8.569880 85.73238 11.24956 
9.853035       14.14197 
1 1 1 6   30 6  o 93.82359 7.614225 90.84863       14.40213  87.06078       
19.85539  95.05428       20.92179  91.11623 10.93435 95.24230 11.00496 
-4.126068      15.51351 
1 1 1 6   30 7  o 123.7648 5.906783 156.6375       14.86619  197.9605       
19.53753  99.81174       22.91110  138.9896 6.912512 97.30517 11.82147 
41.68443       13.69416 
1 1 1 6   30 8  o 70.29447 9.407377 51.90707       13.11024  51.21534       
16.28324  53.18186       22.10503  69.14965 12.01583 69.43650 15.98578 
-0.2868500     19.99813 
1 1 1 6   30 9  o 94.95057 7.430031 93.23994       14.23189  96.81786       
17.28302  85.70325       25.08383  96.41606 8.915884 88.98728 14.34972 
7.428780       16.89401 
1 1 1 6   30 10 o 97.46725 10.17101 99.84569       19.86228  99.84569       
19.86228  0.000000       0.000000  97.46725 10.17101 ?        ?        
0.000000       10.17101 
1 1 1 6   30 11 o 56.55074 13.27025 35.20687       14.99800  31.86938       
18.10513  42.50580       26.77448  53.71060 15.63158 61.58057 19.25464 
-7.869968      24.80095 
1 1 1 6   30 12 o 44.16059 15.26348 19.64291       16.67318  14.29049       
20.30595  30.71913       29.21084  42.58360 16.47655 55.22132 20.08934 
-12.63771      25.98189 
1 1 1 6   30 13 o 81.57641 10.82925 71.19115       17.52048  68.01494       
21.52600  77.42508       30.15705  78.45901 14.00558 81.64709 18.58115 
-3.188080      23.26834 
1 1 1 6   30 14 o 78.51424 11.06337 66.73442       17.17418  55.29392       
20.55236  93.21128       31.26601  69.67107 14.95364 89.24242 17.85206 
-19.57136      23.28750 
1 1 1 6   30 15 o 197.5331 6.251784 404.7425       25.11280  391.3799       
29.89507  436.7773       46.28769  193.3303 7.604106 200.3785 11.40678 
-7.048264      13.70901 
1 1 1 6   30 16 o 63.05368 13.64400 47.04327       16.98656  17.94497       
24.77310  72.86451       23.33647  43.70057 17.77359 77.57224 15.33723 
-33.87166      23.47618 
1 1 1 6   31 0  o 170.6025 9.878838 299.4467       34.12559  299.4467       
34.12559  0.000000       0.000000  170.6025 9.878838 ?        ?        
0.000000       9.878838 
1 1 1 6   31 1  o 112.4661 5.033469 128.9190       11.51172  118.6289       
28.45982  130.9319       12.58742  106.2948 13.46859 113.3163 5.462517 
-7.021523      14.53416 
1 1 1 6   31 2  o 213.5465 3.820668 464.3816       16.59141  450.8150       
23.75566  477.3013       23.18243  210.2238 5.556914 216.3467 5.269353 
-6.122833      7.658027 
1 1 1 6   31 3  o 116.1437 5.342649 137.6146       12.61838  161.9906       
21.44909  124.7133       15.60432  125.4184 8.459432 110.2158 6.998539 
15.20263       10.97914 
1 1 1 6   31 4  o 95.86380 10.40653 95.82954       19.96091  95.82954       
19.96091  0.000000       0.000000  95.86380 10.40653 ?        ?        
0.000000       10.40653 
1 1 1 6   31 5  o 221.8415 5.016848 502.2362       22.63212  526.2797       
30.99114  474.7611       33.12900  226.7583 6.720833 215.1831 7.570923 
11.57518       10.12366 
1 1 1 6   31 6  f 147.2119 6.109227 221.6880       18.28860  203.8431       
26.22478  238.5836       25.51769  140.3260 9.241876 152.1164 8.280421 
-11.79045      12.40877 
1 1 1 6   31 7  o 161.8866 6.123790 268.2594       20.15964  269.3659       
29.55537  267.2967       27.56830  161.3427 9.044608 160.8961 8.455486 
0.4466095      12.38144 
1 1 1 6   31 8  o 65.17627 12.42238 45.86892       15.86333  26.64640       
23.25514  62.59778       21.69437  51.64906 18.01627 75.72807 14.61709 
-24.07901      23.20011 
1 1 1 6   31 9  o 111.6097 8.552568 129.4201       19.26339  123.4193       
28.33966  134.5740       26.26373  107.3918 13.25842 112.8327 11.61223 
-5.440994      17.62469 
1 1 1 6   31 10 o 132.9741 12.48193 188.0831       33.35705  188.0831       
33.35705  0.000000       0.000000  132.9741 12.48193 ?        ?        
0.000000       12.48193 
1 1 1 6   31 11 o 40.64033 16.12285 11.23195       19.85860  15.14067       
30.04486  8.199549       26.46342  48.33337 19.60463 43.41802 18.08355 
4.915344       26.67126 
1 1 1 6   31 12 o 76.62451 15.11980 65.48309       22.72279  123.8008       
40.45090  38.59713       27.46569  103.2562 19.98700 58.88660 19.60007 
44.36963       27.99363 
1 1 1 6   31 13 o 132.2751 10.25177 185.2868       27.36044  196.9923       
43.96707  177.8891       34.95274  132.2543 16.72171 127.6511 13.67797 
4.603127       21.60330 
1 1 1 6   31 14 o 43.91307 17.69991 14.74058       24.32452  44.61493       
39.08535  -4.144537      31.07596  61.53787 23.08455 40.67991 18.21984 
20.85796       29.40849 
1 1 1 6   31 15 o 92.27985 14.00622 97.95325       25.45759  77.86826       
37.46294  115.1854       34.70049  75.01037 22.65360 96.43580 18.36555 
-21.42543      29.16297 
1 1 1 6   31 16 o 51.55545 18.17176 34.51816       23.69350  25.25405       
32.21467  45.43476       34.96999  48.07768 19.98209 56.52194 21.68819 
-8.444263      29.49002 
1 1 1 6   32 0  o 163.4359 9.934298 275.3489       32.86029  275.3489       
32.86029  0.000000       0.000000  163.4359 9.934298 ?        ?        
0.000000       9.934298 
1 1 1 6   32 1  o 82.29919 5.720461 69.44890       9.514169  44.18761       
25.89829  73.39000       10.22945  63.99939 18.71551 84.58027 5.986133 
-20.58088      19.64953 
1 1 1 6   32 2  o 181.0653 3.895364 333.9584       14.34282  329.9605       
20.86784  337.5381       19.74623  179.7884 5.707743 181.8860 5.338675 
-2.097626      7.815355 
1 1 1 6   32 3  o 158.7937 4.570193 257.0989       14.75772  246.8247       
24.33333  263.0768       18.56088  155.1895 7.710595 160.5065 5.686625 
-5.317032      9.580761 
1 1 1 6   32 4  o 230.3512 5.204807 541.6766       24.38072  541.6766       
24.38072  0.000000       0.000000  230.3512 5.204807 ?        ?        
0.000000       5.204807 
1 1 1 6   32 5  o 240.6671 4.256513 590.6630       20.83157  595.0736       
25.41039  581.6233       36.37798  241.3932 5.176483 238.0753 7.514029 
3.317947       9.124505 
1 1 1 6   32 6  o 98.12518 6.429567 99.03759       12.75868  112.2910       
16.28534  77.97472       20.53016  104.2547 7.736743 85.67400 12.12238 
18.58074       14.38086 
1 1 1 6   32 7  o 123.8489 6.464704 157.6551       16.22495  161.9751       
22.57159  153.0366       23.33871  124.9328 8.943691 121.2484 9.542751 
3.684372       13.07875 
1 1 1 6   32 8  o 147.3421 5.391846 222.1314       16.15532  227.8164       
20.26074  212.2069       26.76984  148.9639 6.688410 142.8574 9.264901 
6.106491       11.42686 
1 1 1 6   32 9  o 74.05090 9.603603 57.87663       14.12103  43.57004       
17.47874  84.76350       23.96141  62.84555 14.03175 88.39772 13.77886 
-25.55217      19.66589 
1 1 1 6   32 10 o 44.98415 16.28348 19.25933       19.15680  19.25933       
19.15680  0.000000       0.000000  44.98415 16.28348 ?        ?        
0.000000       16.28348 
1 1 1 6   32 11 o 43.36029 16.02753 17.20556       18.70483  19.96027       
27.00636  14.66574       25.93160  48.86208 18.97471 45.81759 18.34286 
3.044487       26.39130 
1 1 1 6   32 12 f 90.99350 9.791034 87.64426       17.83202  77.03412       
22.21087  106.8857       29.91048  83.78193 13.49492 97.91898 15.54030 
-14.13705      20.58188 
1 1 1 6   32 13 o 117.6830 7.799901 144.6946       18.56032  128.4309       
21.99791  184.8792       34.57804  109.9169 9.949437 129.9766 13.26834 
-20.05968      16.58433 
1 1 1 6   32 14 o 105.8672 8.474535 118.6819       18.09143  141.7164       
21.61081  64.72540       33.07526  115.2875 9.297055 70.81504 21.26307 
44.47250       23.20675 
1 1 1 6   32 15 o 114.7475 7.592796 139.6209       17.61712  132.1861       
20.03073  165.0151       37.01929  110.7448 8.971612 117.2024 15.94646 
-6.457642      18.29698 
1 1 1 6   32 16 o 25.93264 12.00653 -7.989813      14.99542  10.81748       
17.07078  -71.53798      31.37919  35.97143 14.70604 26.51841 13.30994 
9.453022       19.83487 
1 1 1 6   33 0  o 200.3021 6.373455 409.9365       25.96043  402.8463       
37.18461  416.6786       36.26003  198.0322 9.233706 201.4869 8.849726 
-3.454742      12.78980 
1 1 1 6   33 1  o 130.9650 4.531564 174.8558       12.06855  189.8449       
29.58595  171.8639       13.21827  135.2056 10.85211 129.8018 5.007747 
5.403809       11.95182 
1 1 1 6   33 2  o 168.6740 4.208623 289.9937       14.43576  298.4144       
24.20056  285.3425       17.98605  170.7395 6.970115 167.1966 5.290016 
3.542923       8.750244 
1 1 1 6   33 3  o 36.81221 11.37285 14.03941       9.372615  -1.712915      
16.10027  22.11407       11.52718  31.41499 13.62269 45.35541 12.22211 
-13.94042      18.30185 
1 1 1 6   33 4  o 121.6340 6.842039 152.0667       16.85482  152.0667       
16.85482  0.000000       0.000000  121.6340 6.842039 ?        ?        
0.000000       6.842039 
1 1 1 6   33 5  o 103.3453 5.978010 109.6539       12.50950  100.4455       
16.11455  123.6183       19.84435  98.48396 8.118749 109.1047 9.025247 
-10.62071      12.13957 
1 1 1 6   33 6  o 44.97604 12.15324 21.87730       11.37912  21.13692       
14.75781  22.96289       17.87017  44.95820 14.32576 47.35906 15.81169 
-2.400864      21.33628 
1 1 1 6   33 7  o 44.21691 12.56956 21.10569       11.83645  22.39161       
15.05247  19.02232       19.15944  45.97316 14.44726 45.11264 16.29157 
0.8605156      21.77472 
1 1 1 6   33 8  o 74.07476 9.158400 57.71201       13.50173  59.26604       
17.00578  55.06193       22.20739  74.35648 11.62759 70.23574 15.91653 
4.120743       19.71134 
1 1 1 6   33 9  o 175.9077 5.190777 316.8528       18.56815  315.9745       
22.49818  318.7289       32.88328  175.3696 6.308725 174.8522 9.281338 
0.5173340      11.22244 
1 1 1 6   33 10 f 56.56685 15.98332 35.94231       19.19879  35.94231       
19.19879  0.000000       0.000000  56.56685 15.98332 ?        ?        
0.000000       15.98332 
1 1 1 6   33 11 o 163.6923 7.065374 276.6041       23.51878  258.9153       
32.54670  295.9348       34.02359  156.7660 10.26618 167.7755 10.01815 
-11.00946      14.34426 
1 1 1 6   33 12 o 37.82973 14.80903 10.79928       16.55210  21.54952       
21.54744  -4.676045      25.85274  46.84834 17.22190 37.63846 16.75489 
9.209881       24.02749 
1 1 1 6   33 13 o 145.1563 6.596792 218.2924       19.47243  212.4838       
23.61247  230.6400       34.42681  142.2816 8.195626 145.9438 11.69838 
-3.662140      14.28357 
1 1 1 6   33 14 o 37.50528 14.39561 12.73164       15.40955  18.88193       
18.20590  -2.804639      28.93593  42.70233 15.80676 38.95169 17.50385 
3.750637       23.58471 
1 1 1 6   33 15 o 31.46755 13.23100 4.942915       14.36986  1.980582       
16.06595  16.79254       32.13231  31.26726 13.58341 45.24239 19.42973 
-13.97513      23.70703 
1 1 1 6   33 16 o 43.01185 14.77915 23.03032       15.62070  12.09012       
17.41090  68.17377       35.36763  36.41389 14.86534 64.18156 22.22774 
-27.76767      26.74043 
1 1 1 6   34 0  o 161.9277 6.933202 268.3901       22.83003  305.8106       
33.65742  236.5007       31.07058  172.0495 9.659094 151.0989 10.17119 
20.95059       14.02680 
1 1 1 6   34 1  f 182.1364 4.269218 338.2090       15.81236  345.0714       
34.04156  336.3210       17.85553  183.0937 9.142913 181.5582 4.836213 
1.535522       10.34320 
1 1 1 6   34 2  f 15.61994 7.559999 -12.03193      7.367530  -14.61871      
13.69826  -10.97906      8.739198  23.52713 11.08124 18.18883 8.650510 
5.338299       14.05792 
1 1 1 6   34 3  o 48.44865 9.257637 24.99506       8.788268  16.15316       
13.33546  31.78319       11.68451  40.43717 13.65819 54.42978 10.93610 
-13.99261      17.49699 
1 1 1 6   34 4  o 207.8140 5.241851 441.3420       22.15190  441.3420       
22.15190  0.000000       0.000000  207.8140 5.241851 ?        ?        
0.000000       5.241851 
1 1 1 6   34 5  o 122.4140 6.369073 154.0041       15.79998  210.4415       
24.22466  112.2212       20.84364  142.6290 8.389093 103.5693 10.02204 
39.05970       13.06974 
1 1 1 6   34 6  f 173.1650 4.758068 306.3866       16.75492  306.4391       
20.95917  306.2936       27.88818  172.9396 5.959752 172.3839 7.955581 
0.5556793      9.940317 
1 1 1 6   34 7  o 105.9302 6.329113 115.5786       13.57136  141.7341       
17.39995  74.95190       21.68562  117.0964 7.344413 83.23766 13.25612 
33.85874       15.15470 
1 1 1 6   34 8  o 101.8282 6.928766 107.2276       14.26215  93.54557       
17.68035  132.7167       24.13194  94.41970 9.330309 112.1107 10.71557 
-17.69104      14.20838 
1 1 1 6   34 9  o 102.2372 7.472182 108.5144       15.42726  86.51317       
18.91079  152.2898       26.67481  90.28677 10.49578 119.8521 11.06979 
-29.56535      15.25456 
1 1 1 6   34 10 o 31.61883 14.17894 -6.387803      18.88161  -6.387803      
18.88161  0.000000       0.000000  31.61883 14.17894 ?        ?        
0.000000       14.17894 
1 1 1 6   34 11 o 112.4913 9.184028 133.0904       20.82561  139.2108       
30.00403  127.4007       28.92910  113.0771 13.30263 108.0359 13.45976 
5.041153       18.92419 
1 1 1 6   34 12 o 91.83148 9.584887 89.69209       17.63527  107.3476       
22.84457  63.65287       27.74318  99.64165 11.48455 72.95651 18.63350 
26.68513       21.88840 
1 1 1 6   34 13 o 26.32116 12.25086 -11.83750      15.93015  18.40287       
19.91706  -65.53260      26.53989  43.45548 16.44033 24.96225 12.48712 
18.49323       20.64492 
1 1 1 6   34 14 o 49.55473 14.27783 29.20715       15.17318  39.68113       
17.79912  1.356747       29.02408  57.28379 15.07502 39.72562 17.71330 
17.55817       23.25978 
1 1 1 6   34 15 o 49.12704 13.63045 29.55270       14.09586  30.09202       
15.54411  27.05633       33.44226  49.13068 14.53704 48.17776 20.21688 
0.9529152      24.90076 
1 1 1 6   35 0  o 101.4593 9.238750 106.9323       18.85262  75.05477       
26.37566  140.2308       26.95711  82.90350 16.22604 115.6530 11.61927 
-32.74953      19.95725 
1 1 1 6   35 1  o 79.32975 5.668560 64.65653       9.084275  0.000000       
0.000000  64.65653       9.084275  ?        ?        79.32975 5.668560 
0.000000       5.668560 
1 1 1 6   35 2  o 196.5339 4.072538 393.9012       16.27624  428.8839       
27.19149  374.3686       20.31828  204.5978 6.535529 191.4167 5.219823 
13.18112       8.364191 
1 1 1 6   35 3  o 146.9918 4.147315 220.4133       12.39685  203.9479       
17.76284  236.0491       17.30954  141.1103 6.190166 151.9101 5.603346 
-10.79977      8.349589 
1 1 1 6   35 4  o 31.30514 12.94638 3.394021       13.42648  3.394021       
13.42648  0.000000       0.000000  31.30514 12.94638 ?        ?        
0.000000       12.94638 
1 1 1 6   35 5  o 186.6782 4.452870 355.8818       16.90383  354.5565       
21.01295  358.3123       28.45655  186.1054 5.552347 186.5691 7.500515 
-0.4636688     9.332003 
1 1 1 6   35 6  o 218.5725 4.458142 488.0640       19.81531  484.8179       
24.35253  494.4241       34.08766  217.5742 5.504086 218.9829 7.654830 
-1.408707      9.428223 
1 1 1 6   35 7  o 49.36968 12.50224 26.76407       12.56472  -6.696342      
15.78239  84.67853       20.76350  28.60800 12.88462 88.97291 11.76455 
-60.36491      17.44759 
1 1 1 6   35 8  o 81.15487 8.835731 69.21133       14.34608  64.36674       
17.91664  77.86672       23.94811  77.27104 11.77436 84.00598 14.54551 
-6.734940      18.71383 
1 1 1 6   35 9  o 82.28881 9.392558 71.55254       15.43563  65.59988       
19.88473  80.57786       24.48475  77.40011 13.10102 85.27280 14.64774 
-7.872688      19.65180 
1 1 1 6   35 10 o 177.4391 6.775640 324.9605       24.44844  324.9605       
24.44844  0.000000       0.000000  177.4391 6.775640 ?        ?        
0.000000       6.775640 
1 1 1 6   35 11 o 34.75611 14.19685 6.493120       15.89182  12.54581       
21.22962  -1.221384      23.96747  41.59249 16.61609 37.40055 16.41146 
4.191936       23.35446 
1 1 1 6   35 12 o 72.77332 11.81549 58.37364       16.88568  59.25228       
21.50271  56.96018       27.27283  71.62891 15.23105 68.28071 18.96493 
3.348198       24.32392 
1 1 1 6   35 13 o 77.72896 10.94670 66.60685       16.82355  59.28579       
20.16523  83.37072       30.51429  71.32016 14.40007 81.54533 18.78800 
-10.22517      23.67174 
1 1 1 6   35 14 o 115.2005 7.372714 141.0213       17.18102  127.3915       
19.60677  186.1068       35.65987  108.3500 8.979609 125.5285 14.22054 
-17.17844      16.81836 
1 1 1 6   35 15 o 99.78076 7.783768 107.8741       15.66893  91.22468       
17.36479  180.8422       36.35265  90.28615 9.605462 119.8438 15.26299 
-29.55763      18.03396 
1 1 1 6   36 0  o 292.2111 6.037583 873.9578       35.87660  880.8722       
50.91122  867.1371       50.56491  292.3908 8.562457 290.0983 8.571418 
2.292511       12.11548 
1 1 1 6   36 1  o 136.3940 4.834846 189.9966       13.41001  0.000000       
0.000000  189.9966       13.41001  ?        ?        136.3940 4.834846 
0.000000       4.834846 
1 1 1 6   36 2  o 120.1369 4.117291 147.2498       10.05865  168.6916       
15.17323  130.4393       13.43500  128.3700 5.812502 112.7220 5.881470 
15.64799       8.269031 
1 1 1 6   36 3  o 154.6360 4.029988 243.9741       12.67260  246.6664       
18.40055  241.5449       17.47851  155.1945 5.830463 153.6186 5.595119 
1.575867       8.080820 
1 1 1 6   36 4  o 192.4124 4.281601 378.0017       16.75293  378.4628       
20.83657  377.1585       28.17474  192.3109 5.328080 191.4615 7.236475 
0.8494415      8.986379 
1 1 1 6   36 5  o 104.7992 5.963317 112.9962       12.65605  101.7019       
16.34337  129.9145       20.00275  98.87898 8.202098 111.6308 8.885146 
-12.75178      12.09216 
1 1 1 6   36 6  o 90.36864 7.058408 84.62189       12.86813  85.84218       
16.90846  82.94231       19.83691  90.39810 9.332268 88.18451 11.32351 
2.213593       14.67355 
1 1 1 6   36 7  o 75.54496 8.421018 59.89970       12.71649  63.60241       
16.25018  54.05010       20.42500  77.18803 10.63519 69.55297 14.89023 
7.635063       18.29826 
1 1 1 6   36 8  o 99.56212 7.454788 103.0777       14.98363  91.61070       
18.57601  124.4319       25.34952  93.00467 9.977790 107.7707 11.75770 
-14.76598      15.42076 
1 1 1 6   36 9  o 30.81256 13.13612 1.271849       14.49488  11.60837       
19.19628  -12.43888      22.10854  40.08541 15.86783 32.29128 14.81549 
7.794140       21.70914 
1 1 1 6   36 10 o 85.65040 12.32195 79.97781       20.84369  79.97781       
20.84369  0.000000       0.000000  85.65040 12.32195 ?        ?        
0.000000       12.32195 
1 1 1 6   36 11 o 86.76370 9.929874 80.57462       17.20447  66.15779       
21.20069  108.3790       29.44232  76.59421 14.13204 97.75179 15.31434 
-21.15758      20.83851 
1 1 1 6   36 12 f 40.08925 15.00504 15.49834       16.49575  20.67180       
20.96602  7.092055       26.72558  45.07433 16.90751 41.42091 17.75226 
3.653423       24.51544 
1 1 1 6   36 13 o 30.92135 13.44968 1.022663       15.78975  3.600317       
18.75561  -5.249748      29.25743  34.35060 14.79939 37.86364 17.24699 
-3.513046      22.72621 
1 1 1 6   36 14 o 46.02401 14.24716 26.09526       14.70052  21.64762       
16.61351  42.14041       31.55502  42.60549 15.19498 54.25885 20.65359 
-11.65337      25.64095 
1 1 1 6   36 15 o 24.32290 11.30572 -7.335608      13.49478  -0.2651187     
15.16137  -34.29649      29.60608  28.60816 12.77584 29.70485 14.54786 
-1.096697      19.36136 
1 1 1 6   37 0  o 65.80269 17.84598 48.50048       24.48326  0.000000       
0.000000  48.50048       24.48326  ?        ?        65.80269 17.84598 
0.000000       17.84598 
1 1 1 6   37 1  o 60.58170 5.993187 37.96239       7.286465  0.000000       
0.000000  37.96239       7.286465  ?        ?        60.58170 5.993187 
0.000000       5.993187 
1 1 1 6   37 2  o 223.7518 3.662782 510.5752       16.66591  526.8994       
23.98126  495.3268       23.17758  226.9560 5.196117 220.0554 5.179462 
6.900574       7.336652 
1 1 1 6   37 3  o 183.0565 3.860048 341.9184       14.36909  363.1634       
21.03721  323.3391       19.67321  188.3184 5.493435 177.7045 5.444090 
10.61392       7.734077 
1 1 1 6   37 4  o 100.0772 5.737729 103.0090       11.62813  99.35849       
15.13901  108.2614       18.15926  97.84174 7.670342 101.8206 8.858502 
-3.978897      11.71782 
1 1 1 6   37 5  o 74.96796 7.644399 58.62203       11.49082  53.27448       
14.98477  66.25504       17.90277  70.54703 10.78809 78.56935 11.54979 
-8.022324      15.80445 
1 1 1 6   37 6  o 98.70155 7.672681 101.3431       15.27903  123.2675       
23.53685  85.37537       20.08662  107.7504 10.89136 89.34037 11.30951 
18.40998       15.70117 
1 1 1 6   37 7  o 122.6801 5.949243 154.7479       14.84183  136.2313       
18.75461  185.7761       24.27760  114.2904 8.122391 133.1805 9.017386 
-18.89008      12.13616 
1 1 1 6   37 8  o 151.4733 5.509582 235.6873       16.97095  225.4087       
21.02076  254.9282       28.76028  147.6728 6.999976 155.9222 9.110186 
-8.249451      11.48891 
1 1 1 6   37 9  o 103.8920 8.050449 112.9257       16.87522  109.2061       
22.25832  117.9539       25.87919  100.9344 11.02354 104.2240 12.45731 
-3.289597      16.63439 
1 1 1 6   37 10 o 156.5148 10.15415 260.3022       32.14391  260.3022       
32.14391  0.000000       0.000000  156.5148 10.15415 ?        ?        
0.000000       10.15415 
1 1 1 6   37 11 o 68.24682 12.42380 52.05949       16.60681  68.71849       
20.60865  21.21070       28.04427  78.08022 13.46587 48.20803 19.14879 
29.87220       23.40953 
1 1 1 6   37 12 o 42.29055 14.96898 19.44206       16.09382  23.42306       
19.70857  11.47459       27.88172  45.88744 16.53033 43.12149 18.29623 
2.765953       24.65774 
1 1 1 6   37 13 o 105.4183 8.039216 119.2189       17.10388  116.0739       
19.66633  128.9835       34.65310  102.9650 9.499642 100.7075 17.55958 
2.257515       19.96452 
1 1 1 6   37 14 o 88.74741 8.505168 86.56428       15.16135  77.66312       
16.82997  124.8939       34.92426  82.68860 10.22695 94.69492 18.79948 
-12.00632      21.40119 
1 1 1 6   38 0  o 131.6392 11.08377 182.3439       29.39437  0.000000       
0.000000  182.3439       29.39437  ?        ?        131.6392 11.08377 
0.000000       11.08377 
1 1 1 6   38 1  f 84.33211 4.961268 72.98434       8.470707  76.67442       
24.05907  72.46220       9.050190  83.66405 14.67649 83.96983 5.327680 
-0.3057709     15.61357 
1 1 1 6   38 2  o 132.7216 3.925830 179.7943       10.59558  189.6882       
15.56453  171.2493       14.46467  136.0495 5.625841 129.2902 5.501630 
6.759277       7.868800 
1 1 1 6   38 3  o 95.02477 5.088316 92.69770       9.796778  83.42994       
14.46262  100.5560       13.31757  89.48247 8.033586 98.64967 6.677958 
-9.167206      10.44670 
1 1 1 6   38 4  o 79.53437 6.734274 65.58517       10.78944  69.91859       
14.48748  60.18842       16.16755  81.57644 8.876536 74.98746 10.92328 
6.588982       14.07519 
1 1 1 6   38 5  o 116.4637 5.531967 139.1893       13.10152  159.1990       
17.25517  111.9497       20.13254  124.0658 6.866083 103.0491 9.722235 
21.01664       11.90231 
1 1 1 6   38 6  f 162.9262 5.971596 273.0304       19.78485  267.2784       
28.87388  278.1215       27.16432  159.8489 8.918227 163.6252 8.163893 
-3.776291      12.09065 
1 1 1 6   38 7  o 132.7846 5.788322 181.3576       15.62975  183.6731       
19.88573  177.6155       25.28044  132.9586 7.383910 129.7664 9.649137 
3.192261       12.15023 
1 1 1 6   38 8  o 90.04574 8.269273 85.15793       14.97277  78.58549       
19.26661  95.18002       23.79148  85.26735 11.39664 93.24150 12.89255 
-7.974152      17.20759 
1 1 1 6   38 9  o 72.78951 10.46781 57.18668       15.04870  92.12463       
19.62939  7.377430       23.43759  92.62183 10.61333 40.33905 16.92600 
52.28278       19.97830 
1 1 1 6   38 10 o 58.38916 19.44988 40.75953       27.04445  40.75953       
27.04445  0.000000       0.000000  58.38916 19.44988 ?        ?        
0.000000       19.44988 
1 1 1 6   38 11 o 124.1270 7.252513 161.6591       18.22690  135.9366       
22.04158  217.2900       32.41484  112.3936 9.740134 140.8952 11.41150 
-28.50157      15.00308 
1 1 1 6   38 12 o 54.43814 14.48281 35.69880       16.31299  38.39760       
19.66805  29.74953       29.20169  55.54026 16.32915 50.44249 19.69115 
5.097767       25.58090 
1 1 1 6   38 13 o 78.77937 10.21525 69.86443       15.97961  55.81549       
18.30047  114.9549       32.78557  67.72389 13.75764 92.99995 17.98649 
-25.27606      22.64479 
1 1 1 6   38 14 o 22.44035 10.70691 -13.10415      13.61317  -20.20932      
15.07576  18.27617       31.68259  21.92683 10.65952 42.38599 18.72348 
-20.45916      21.54517 
1 1 1 6   39 0  o 71.90079 17.33954 58.66404       25.05828  0.000000       
0.000000  58.66404       25.05828  ?        ?        71.90079 17.33954 
0.000000       17.33954 
1 1 1 6   39 1  o 74.73143 12.48487 60.52681       18.30376  94.24931       
25.80025  26.35528       25.97145  92.96722 14.08865 51.85955 18.93105 
41.10768       23.59819 
1 1 1 6   39 2  o 134.3929 3.876710 184.4145       10.59476  182.7737       
15.66441  185.7979       14.38386  133.4543 5.772048 134.6607 5.252705 
-1.206406      7.804323 
1 1 1 6   39 3  o 107.9432 4.678643 119.2367       10.26991  103.5919       
15.29461  132.0824       13.85899  99.81771 7.591842 113.2110 6.041768 
-13.39330      9.702526 
1 1 1 6   39 4  o 34.49455 11.56745 12.01212       9.564590  0.8755220      
13.35993  23.72149       13.69919  29.52948 12.60078 46.43370 13.62117 
-16.90422      18.55576 
1 1 1 6   39 5  o 125.4766 5.273545 161.5794       13.45603  167.4518       
17.35788  152.7357       21.30124  127.1962 6.734743 120.7343 8.735047 
6.461830       11.02986 
1 1 1 6   39 6  o 86.84170 8.768420 79.51257       15.27258  76.38644       
23.28652  81.87228       20.23162  82.73734 14.36137 86.95202 11.74227 
-4.214684      18.55074 
1 1 1 6   39 7  o 93.68079 7.616937 91.74477       14.38485  103.7686       
18.96058  75.43849       22.08048  98.92636 9.543573 82.41820 13.65238 
16.50816       16.65735 
1 1 1 6   39 8  o 55.38096 13.31113 34.59914       14.80523  31.01973       
20.20017  38.75365       21.76251  52.26532 16.77164 57.63979 17.23419 
-5.374474      24.04798 
1 1 1 6   39 9  o 55.80429 13.64827 35.50297       15.35975  34.84501       
19.80532  36.49592       24.33024  54.65731 16.46330 55.81125 18.44125 
-1.153942      24.72084 
1 1 1 6   39 10 o 45.24408 18.29370 17.16276       26.07228  17.16276       
26.07228  0.000000       0.000000  45.24408 18.29370 ?        ?        
0.000000       18.29370 
1 1 1 6   39 11 o 98.46406 9.044284 104.4177       17.90694  102.7586       
21.63223  108.0295       31.91753  96.23293 11.26746 93.68577 17.39381 
2.547157       20.72439 
1 1 1 6   39 12 o 60.38224 13.37528 43.64731       15.99076  36.11648       
18.68618  64.24943       30.90689  53.30980 15.97654 66.82050 20.65362 
-13.51070      26.11172 
1 1 1 6   39 13 o 52.61404 13.47693 34.69511       14.48323  21.51748       
16.31692  83.63779       31.44587  41.65242 15.03570 74.24930 20.26180 
-32.59687      25.23119 
1 1 1 6   39 14 o 32.69684 13.36231 10.13841       14.08710  7.513745       
15.66413  21.23967       32.21479  32.02958 13.65534 42.15019 18.73654 
-10.12061      23.18461 
1 1 1 6   40 0  o 237.8351 6.197568 581.5239       29.97427  570.1874       
42.17492  593.0946       42.60845  234.1696 8.856709 238.8779 8.771388 
-4.708328      12.46509 
1 1 1 6   40 1  o 161.5302 6.959384 269.1440       22.85998  267.6297       
32.26888  270.6695       32.38925  159.5845 9.993949 160.5025 9.972897 
-0.9179535     14.11870 
1 1 1 6   40 2  o 112.0069 6.367622 129.5797       14.44362  129.5797       
14.44362  0.000000       0.000000  112.0069 6.367622 ?        ?        
0.000000       6.367622 
1 1 1 6   40 3  o 29.31732 10.50445 7.856774       7.948511  -4.741470      
12.41099  16.61746       10.34953  25.61621 11.49074 39.28232 11.91657 
-13.66611      16.55421 
1 1 1 6   40 4  o 25.72480 10.75955 1.792042       9.424552  12.32197       
13.30553  -8.810377      13.35125  36.78917 13.53179 24.92357 11.46392 
11.86559       17.73501 
1 1 1 6   40 5  o 52.87827 10.75503 30.60757       11.17111  41.87786       
15.32411  17.82556       16.31951  61.38297 12.69555 42.23441 15.06022 
19.14855       19.69739 
1 1 1 6   40 6  o 67.24001 11.15919 49.28481       14.72353  48.14611       
23.26214  50.04589       19.01771  63.97116 17.41446 66.38937 14.49325 
-2.418213      22.65651 
1 1 1 6   40 7  o 63.72655 10.82490 44.29172       13.52617  68.18616       
18.33158  15.73554       20.04018  78.96324 11.77636 42.45240 16.38444 
36.51085       20.17752 
1 1 1 6   40 8  o 123.9217 7.030051 160.0416       17.64270  173.2929       
24.03825  144.5687       25.97527  127.8133 9.312647 115.6236 11.18730 
12.18970       14.55614 
1 1 1 6   40 9  o 78.81063 10.25308 67.40746       16.04289  48.82827       
20.39658  97.54877       25.97916  64.26506 15.73383 92.58006 14.25680 
-28.31499      21.23228 
1 1 1 6   40 10 o 25.12800 12.21548 -29.28140      19.79521  -29.28140      
19.79521  0.000000       0.000000  25.12800 12.21548 ?        ?        
0.000000       12.21548 
1 1 1 6   40 11 o 84.41192 9.726742 78.33382       16.39095  64.14848       
19.14981  117.2018       31.69862  74.04315 13.20242 97.20642 16.63391 
-23.16327      21.23655 
1 1 1 6   40 12 o 53.73077 14.11519 36.21151       15.62253  20.56463       
17.99684  84.05280       31.46906  41.69020 15.65942 75.83554 20.08682 
-34.14534      25.46955 
1 1 1 6   40 13 f 80.69110 9.360497 73.97902       15.07415  68.95203       
17.16864  90.89366       31.49295  75.98135 11.46861 76.01003 20.07603 
-0.2867126E-01 23.12090 
1 1 1 6   41 0  o 28.06233 12.59662 -5.536365      14.94189  -18.61207      
19.42904  13.39203       23.37630  28.06026 13.21051 43.51703 17.41786 
-15.45678      21.86091 
1 1 1 6   41 1  o 88.60223 10.87052 84.06528       19.17517  94.47897       
26.47356  72.57243       27.81146  92.26013 14.59632 79.11050 17.72702 
13.14963       22.96301 
1 1 1 6   41 2  o 78.55307 5.034647 63.55213       8.000024  88.79465       
12.70435  46.96560       10.29826  92.46260 6.804518 66.85232 7.716997 
25.61028       10.28851 
1 1 1 6   41 3  o 137.2745 4.193130 192.8467       11.70522  209.4489       
17.48046  179.3514       15.76023  142.5713 6.029332 131.9755 5.872431 
10.59579       8.416549 
1 1 1 6   41 4  o 68.19218 7.861581 49.00375       10.70208  22.10495       
14.39495  82.24534       16.00239  44.84456 14.13362 88.12710 9.058364 
-43.28254      16.78729 
1 1 1 6   41 5  o 138.8969 5.182386 198.3027       14.63773  184.4145       
18.81679  219.5870       23.29445  133.1921 6.971528 144.9118 7.935069 
-11.71962      10.56255 
1 1 1 6   41 6  o 32.69213 14.27003 -0.6301039     17.91040  0.000000       
0.000000  -0.6301039     17.91040  ?        ?        32.69213 14.27003 
0.000000       14.27003 
1 1 1 6   41 7  f 64.02795 10.92916 44.95316       13.71933  74.37709       
18.95657  12.59101       19.88053  82.38152 11.63980 40.40466 16.09938 
41.97686       19.86643 
1 1 1 6   41 8  o 88.51287 9.315113 83.90557       16.51499  83.91154       
22.14120  83.89808       24.79486  86.55291 12.97985 85.40932 14.81293 
1.143593       19.69517 
1 1 1 6   41 9  o 61.32270 14.42397 44.26297       17.68568  24.60415       
25.82677  61.62117       24.26855  48.18993 18.59976 70.90781 17.04188 
-22.71789      25.22651 
1 1 1 6   41 10 o 75.81194 13.44652 67.09583       19.97090  67.09583       
19.97090  0.000000       0.000000  75.81194 13.44652 ?        ?        
0.000000       13.44652 
1 1 1 6   41 11 o 72.80737 11.53116 61.15404       16.50376  58.07034       
19.31650  69.49048       31.76014  68.81864 14.27113 68.37309 20.90427 
0.4455566      25.31114 
1 1 1 6   41 12 o 46.91032 14.14432 28.49577       14.61332  29.75167       
16.88517  24.74792       29.16881  47.17034 15.35205 44.38257 18.76590 
2.787773       24.24550 
1 1 1 6   41 13 o 25.50729 11.69061 -3.445210      13.71613  -6.104807      
15.56688  5.787202       29.00355  26.02986 12.11364 36.44613 16.81206 
-10.41627      20.72162 
1 1 1 6   42 0  o 116.2453 8.117422 141.3373       19.06822  134.0516       
24.96238  151.5448       29.54663  111.8429 11.12310 118.2209 12.47886 
-6.378029      16.71662 
1 1 1 6   42 1  o 108.1318 9.015984 123.3028       19.64446  145.2573       
27.48768  100.3841       28.08487  115.9952 11.81832 94.48100 15.12804 
21.51423       19.19714 
1 1 1 6   42 2  o 16.43962 7.653079 -5.473436      6.221413  6.511891       
10.80518  -11.41743      7.609322  30.47301 11.95489 16.11880 7.772274 
14.35421       14.25930 
1 1 1 6   42 3  o 122.3608 4.397566 153.4386       10.94224  168.8405       
17.01066  142.5672       14.29145  127.5753 6.579372 117.4012 6.006323 
10.17408       8.908650 
1 1 1 6   42 4  o 138.0603 4.865740 195.7634       13.66057  195.3404       
17.91417  196.3512       21.11629  137.4053 6.411238 137.0856 7.604687 
0.3197174      9.946619 
1 1 1 6   42 5  f 23.54387 10.63488 -4.770104      10.84400  -3.946607      
15.18070  -5.628122      15.49561  28.70137 12.80315 28.30637 12.75620 
0.3950043      18.07322 
1 1 1 6   42 6  o 75.12347 10.66615 61.41704       15.83667  70.71238       
25.04819  55.22692       20.44058  77.55959 16.39434 69.08536 14.98126 
8.474228       22.20839 
1 1 1 6   42 7  o 96.46111 7.643735 97.96928       14.87095  114.3663       
19.93058  77.37602       22.33573  103.2809 9.599461 82.52860 13.79596 
20.75230       16.80709 
1 1 1 6   42 8  o 113.0137 7.126270 134.1416       16.29352  132.1169       
20.92668  137.2587       25.96494  110.8846 9.368317 111.4645 11.62622 
-0.5798645     14.93098 
1 1 1 6   42 9  o 30.95167 13.70017 -1.099650      17.04688  -24.13466      
25.09077  18.64919       23.23221  30.29755 14.47797 43.69565 17.40587 
-13.39810      22.64014 
1 1 1 6   42 10 o 47.77518 16.03745 28.58045       18.38511  28.58045       
18.38511  0.000000       0.000000  47.77518 16.03745 ?        ?        
0.000000       16.03745 
1 1 1 6   42 11 o 93.68845 8.746287 97.10107       16.47060  88.98898       
19.24817  119.2825       31.82864  87.63479 11.04636 94.08636 17.27216 
-6.451576      20.50243 
1 1 1 6   42 12 o 40.19601 14.93745 21.18313       16.28999  21.18313       
16.28999  0.000000       0.000000  40.19601 14.93745 ?        ?        
0.000000       14.93745 
1 1 1 6   43 0  o 55.95355 14.86106 35.93748       17.19477  10.98874       
23.05607  67.20354       25.81056  41.65079 17.06654 75.62341 17.17525 
-33.97262      24.21272 
1 1 1 6   43 1  o 64.43073 14.25054 47.31109       18.17607  64.18265       
24.84811  27.89398       26.65680  73.90319 16.90135 51.48534 19.11307 
22.41785       25.51401 
1 1 1 6   43 2  o 20.21573 8.641088 0.1055598      6.301995  12.15663       
10.81306  -6.093480      7.755289  34.98637 12.28055 18.62453 8.627024 
16.36185       15.00791 
1 1 1 6   43 3  o 77.30907 5.856317 62.04578       9.138400  52.04451       
14.49077  68.64970       11.77509  69.11662 10.65219 80.91944 7.232037 
-11.80282      12.87523 
1 1 1 6   43 4  o 33.82053 11.88449 11.34761       10.12816  29.57325       
14.55658  -5.755207      14.10106  50.82811 13.75039 26.77644 12.10822 
24.05167       18.32163 
1 1 1 6   43 5  f 112.9103 6.095932 132.3400       13.94481  134.1863       
18.64265  129.9948       21.01097  112.7810 8.184424 110.3348 9.455806 
2.446152       12.50588 
1 1 1 6   43 6  o 112.8274 7.732798 134.0552       17.63496  129.2565       
26.88560  137.6788       23.36297  107.8858 12.48545 112.8825 10.29079 
-4.996658      16.17983 
1 1 1 6   43 7  o 88.39195 8.619874 83.55287       15.29688  99.64748       
21.05989  65.57862       22.25571  95.14137 11.09347 74.48241 15.20824 
20.65896       18.82434 
1 1 1 6   43 8  o 75.00599 10.06048 61.93735       14.95822  45.84311       
19.13566  87.22120       23.98446  61.34972 15.37028 86.28252 14.16102 
-24.93280      20.89928 
1 1 1 6   43 9  o 30.98001 13.67637 0.1618317      16.87778  -9.993481      
23.73552  10.54847       24.00433  32.43215 15.04741 39.60017 16.89408 
-7.168018      22.62376 
1 1 1 6   43 10 o 119.8262 8.495232 157.1064       20.56620  157.1064       
20.56620  0.000000       0.000000  119.8262 8.495232 ?        ?        
0.000000       8.495232 
1 1 1 6   43 11 o 39.15190 14.20368 19.31857       14.58739  23.02640       
16.94474  8.704142       28.66972  41.75639 15.28393 38.03700 17.22670 
3.719391       23.02950 
1 1 1 6   43 12 o 49.80304 13.71406 33.84008       14.32994  41.04116       
16.44392  11.10992       29.21512  54.06031 14.61039 37.16870 17.04507 
16.89161       22.44990 
1 1 1 6   44 0  o 50.44211 15.22440 29.23732       16.92413  76.90871       
24.49363  -14.31555      23.41168  81.74576 15.29681 32.32143 14.97777 
49.42433       21.40855 
1 1 1 6   44 1  o 114.8864 8.948296 139.9693       20.74059  184.8447       
29.61893  96.79385       29.05254  130.6116 11.26165 91.17107 16.26689 
39.44052       19.78476 
1 1 1 6   44 2  o 64.61716 5.901877 43.50471       7.669529  25.89269       
12.11595  55.28051       9.907127  47.84888 12.36341 72.63947 6.785515 
-24.79058      14.10309 
1 1 1 6   44 3  o 59.35128 7.416303 37.31012       8.755570  22.58196       
14.25571  46.23090       11.09471  44.77234 14.05804 65.78167 8.492208 
-21.00933      16.42395 
1 1 1 6   44 4  o 27.61554 11.28875 3.885785       10.05765  -11.00848      
14.70473  16.97880       13.78692  25.29991 11.77377 40.03444 13.87723 
-14.73452      18.19888 
1 1 1 6   44 5  o 66.41568 9.324032 47.75205       12.24597  55.47456       
16.95977  39.33992       17.70083  70.20693 12.32906 57.70115 14.96054 
12.50578       19.38617 
1 1 1 6   44 6  o 27.31387 12.36739 -5.414990      14.76673  -65.66826      
24.82290  27.58667       18.37088  23.45887 11.78311 48.43909 16.02534 
-24.98022      19.89103 
1 1 1 6   44 7  o 49.51430 14.16161 29.25345       14.97758  26.88683       
19.75674  32.45162       22.96686  47.57804 16.60538 51.27486 17.90321 
-3.696819      24.41850 
1 1 1 6   44 8  o 49.86903 16.15405 31.27630       18.70649  31.27630       
18.70649  0.000000       0.000000  49.86903 16.15405 ?        ?        
0.000000       16.15405 
1 1 1 6   44 9  o 48.69128 14.06475 29.71746       14.70687  21.77481       
17.89777  46.22995       25.80612  42.45247 15.68074 56.63613 19.00050 
-14.18366      24.63543 
1 1 1 6   44 10 f 33.08272 14.18029 7.393391       17.05610  7.393391       
17.05610  0.000000       0.000000  33.08272 14.18029 ?        ?        
0.000000       14.18029 
1 1 1 6   44 11 o 45.64845 13.97404 28.57571       14.18729  22.84122       
16.14094  48.05624       29.74966  40.63794 14.91058 50.89251 19.87276 
-10.25458      24.84455 
1 1 1 6   45 0  o 105.5110 9.368398 119.0021       19.89176  126.9088       
28.11217  111.0741       28.15026  106.4885 13.26988 98.73684 14.44760 
7.751625       19.61690 
1 1 1 6   45 1  o 45.30766 15.82410 22.51996       17.94289  35.63511       
25.27827  9.201962       25.47302  54.68281 18.80001 41.55017 17.55082 
13.13264       25.71909 
1 1 1 6   45 2  o 81.33826 5.029443 68.41666       8.278090  72.05245       
13.02053  65.95003       10.72463  82.51015 7.854954 79.33578 6.710473 
3.174362       10.33106 
1 1 1 6   45 3  o 94.64276 5.228617 92.70708       10.02393  77.99648       
15.69025  102.8517       13.02960  85.20462 9.201647 99.23867 6.492309 
-14.03405      11.26146 
1 1 1 6   45 4  o 35.76986 12.11141 13.58376       10.48628  23.94700       
15.63113  5.102970       14.14037  45.63583 14.76491 31.91939 13.25021 
13.71645       19.83862 
1 1 1 6   45 5  o 94.26729 9.817766 96.63815       18.54410  96.63815       
18.54410  0.000000       0.000000  94.26729 9.817766 ?        ?        
0.000000       9.817766 
1 1 1 6   45 6  o 47.17857 17.92129 25.38236       23.72745  25.38236       
23.72745  0.000000       0.000000  47.17857 17.92129 ?        ?        
0.000000       17.92129 
1 1 1 6   45 7  o 103.4788 7.728102 114.6443       16.14471  126.3644       
21.46238  99.36868       24.50264  106.9152 9.987249 91.76931 13.53644 
15.14593       16.82202 
1 1 1 6   45 8  o 57.34920 14.44118 41.38700       16.83132  18.99723       
23.40442  65.37000       24.22283  42.17371 17.22798 69.87029 17.17064 
-27.69657      24.32353 
1 1 1 6   45 9  o 37.90486 13.98809 17.16562       14.23586  -3.399651      
17.25279  61.03709       25.19900  28.83561 13.17707 64.16460 18.37455 
-35.32899      22.61104 
1 1 1 6   45 10 o 29.76574 13.74544 -2.629336      19.46609  -2.629336      
19.46609  0.000000       0.000000  29.76574 13.74544 ?        ?        
0.000000       13.74544 
1 1 1 6   45 11 f 25.98825 12.14594 -4.978208      15.91705  -0.1045549E-01 
19.22553  -15.80307      28.37982  29.57889 13.65954 30.05827 14.61548 
-0.4793816     20.00488 
1 1 1 6   46 0  o 72.27928 12.89781 59.28791       18.26213  63.42508       
25.34754  54.82254       26.33379  71.87760 17.50453 65.97877 18.74593 
5.898834       25.64797 
1 1 1 6   46 1  o 79.55704 12.30964 71.07166       19.27169  66.84264       
26.56913  75.76689       27.99534  73.39282 17.95068 78.27101 17.96856 
-4.878189      25.39874 
1 1 1 6   46 2  o 141.2205 5.239840 206.0579       15.04760  210.9134       
17.16806  189.9638       31.25642  142.5601 5.922046 130.9559 11.86602 
11.60426       13.26172 
1 1 1 6   46 3  o 76.32542 8.696819 62.68098       13.25734  61.23900       
15.10675  67.51236       27.65196  74.67770 10.21573 72.74238 18.61586 
1.935318       21.23467 
1 1 1 6   46 4  o 49.24358 11.06965 27.55435       10.81542  22.47575       
15.63559  32.21370       14.97632  44.10064 14.78977 52.08536 13.88623 
-7.984718      20.28706 
1 1 1 6   46 5  o 44.30707 12.87289 23.05427       12.28793  36.45997       
17.00682  8.411723       17.77406  54.57833 14.90362 35.72764 14.84528 
18.85069       21.03569 
1 1 1 6   46 6  o 29.73187 13.19080 -0.7591111     15.89216  -11.38991      
27.51102  4.564997       19.46916  34.31974 16.01565 34.57586 14.98681 
-0.2561264     21.93412 
1 1 1 6   46 7  o 32.66999 13.14996 8.988722       13.40596  -8.314186      
17.44805  33.92301       20.94527  27.81274 12.90317 50.24059 17.11645 
-22.42786      21.43513 
1 1 1 6   46 8  o 33.53830 14.77094 4.959474       19.57386  22.18415       
41.94277  0.1636134      22.13171  45.27229 20.63269 33.17642 15.06878 
12.09587       25.54948 
1 1 1 6   46 9  o 41.45449 14.04134 23.05113       14.09454  28.72188       
17.37443  12.13672       24.10406  44.83532 15.57636 36.92690 16.32068 
7.908424       22.56075 
1 1 1 6   46 10 o 50.22886 14.77888 36.99577       16.10534  36.99577       
16.10534  0.000000       0.000000  50.22886 14.77888 ?        ?        
0.000000       14.77888 
1 1 1 6   47 0  o 25.73090 12.20025 -16.67593      17.12680  -6.137171      
23.66824  -28.26000      24.81430  34.30394 15.58174 29.39714 14.13960 
4.906794       21.04089 
1 1 1 6   47 1  o 74.86270 13.54707 64.98173       19.86428  59.24940       
26.82333  71.94358       29.56035  67.66391 18.81311 74.26714 19.37110 
-6.603226      27.00320 
1 1 1 6   47 2  o 31.38455 10.94368 10.08651       8.580210  55.80972       
22.51255  2.316007       9.280704  66.98441 16.60918 25.44491 10.66242 
41.53950       19.73707 
1 1 1 6   47 3  o 25.57293 10.39890 3.745219       8.478163  -5.930482      
14.04792  9.288459       10.63292  26.15004 11.92670 31.79238 12.01600 
-5.642342      16.93017 
1 1 1 6   47 4  o 44.82489 11.54678 23.35532       10.58981  30.44202       
15.22069  16.70625       14.74323  49.98381 14.26923 39.13768 14.26698 
10.84613       20.17815 
1 1 1 6   47 5  o 26.33251 11.55288 -0.1595672     11.87275  -8.976105      
16.15646  10.19115       17.50581  26.69738 12.39648 35.94563 14.81643 
-9.248243      19.31837 
1 1 1 6   47 6  o 68.24643 12.69157 55.93115       16.96526  46.12543       
28.06830  61.57561       21.29549  55.58732 19.75839 69.09521 15.53366 
-13.50788      25.13342 
1 1 1 6   47 7  o 25.88784 11.65162 -1.914327      12.88083  -2.555642      
17.00770  -1.051677      19.72545  28.96730 13.17730 31.32406 14.22690 
-2.356762      19.39190 
1 1 1 6   47 8  o 22.81843 10.96912 -14.70742      14.88347  -18.09209      
20.45673  -10.90075      21.69458  26.32969 12.70794 28.84562 13.69275 
-2.515928      18.68109 
1 1 1 6   47 9  o 56.42372 12.23203 41.41832       13.63028  37.85400       
16.05832  50.60463       25.77993  51.03374 14.68386 52.20865 18.89113 
-1.174911      23.92677 
1 1 1 6   47 10 o 38.85965 14.56625 23.28065       15.55629  23.28065       
15.55629  0.000000       0.000000  38.85965 14.56625 ?        ?        
0.000000       14.56625 
1 1 1 6   48 0  o 70.15071 13.37308 57.62296       18.38083  42.80037       
25.82629  72.83788       26.16586  57.04572 19.00701 75.86037 17.33991 
-18.81465      25.72818 
1 1 1 6   48 1  o 60.50908 15.44784 45.28416       19.07356  39.68431       
26.38336  51.41519       27.60634  54.88132 19.18720 61.47017 19.59412 
-6.588844      27.42404 
1 1 1 6   48 2  o 26.92072 10.44500 5.831651       8.177814  -2.894041      
24.91840  6.884886       8.657308  35.38580 16.04000 28.24447 10.80217 
7.141331       19.33827 
1 1 1 6   48 3  o 89.95635 6.520109 85.63181       11.84623  58.35749       
27.29417  91.96203       13.14929  64.60526 19.29695 92.95931 7.007499 
-28.35406      20.52991 
1 1 1 6   48 4  o 104.5898 6.093760 115.4225       12.90448  80.02843       
17.43633  158.2881       19.18866  84.12284 10.41535 121.1441 7.831071 
-37.02130      13.03093 
1 1 1 6   48 5  o 101.0358 7.040843 109.6280       14.37568  89.74566       
19.67842  132.3818       21.05153  87.84792 11.27587 108.6417 9.628493 
-20.79382      14.82744 
1 1 1 6   48 6  f 46.95334 15.08516 29.71257       16.33822  51.90077       
28.00492  18.26385       20.11647  56.50002 19.76721 39.57193 16.04489 
16.92809       25.45940 
1 1 1 6   48 7  o 64.12059 10.70209 49.33787       13.46274  33.70430       
17.10030  74.82485       21.83403  48.47460 15.41817 74.18434 14.98919 
-25.70974      21.50339 
1 1 1 6   48 8  o 30.85260 12.81220 9.460793       13.22808  12.13210       
16.18418  4.084671       22.95956  33.35553 14.03401 32.57058 15.00051 
0.7849503      20.54188 
1 1 1 6   48 9  o 27.70260 12.07956 5.444812       12.80416  16.50269       
15.18783  -21.72545      23.80712  34.56103 13.96652 26.13170 12.84809 
8.429323       18.97728 
1 1 1 6   49 0  o 51.76569 15.31977 33.70615       17.26178  22.07628       
23.48322  47.37656       25.46014  44.46610 17.56675 58.71470 18.82777 
-14.24860      25.75025 
1 1 1 6   49 1  o 27.63006 12.96194 -12.16703      18.42084  -12.68892      
25.79285  -11.62371      26.31707  32.75970 15.35862 33.34767 15.59585 
-0.5879669     21.88876 
1 1 1 6   49 2  o 29.88591 10.61502 9.281813       8.099858  12.30327       
25.76561  8.950465       8.532439  40.23948 17.34121 29.79532 10.85475 
10.44416       20.45833 
1 1 1 6   49 3  o 54.74136 7.973792 32.96682       8.615562  36.97519       
13.49219  30.20705       11.19525  55.38306 12.30005 50.61068 11.17634 
4.772388       16.61932 
1 1 1 6   49 4  o 64.22838 8.481108 45.91272       10.80629  37.46333       
15.21999  54.50215       15.34559  54.21612 13.77666 67.74401 11.55386 
-13.52789      17.98021 
1 1 1 6   49 5  o 40.94947 13.08880 21.39144       12.31203  18.96932       
16.95695  24.09210       17.90543  39.07564 15.07417 42.34444 15.67548 
-3.268803      21.74745 
1 1 1 6   49 6  o 33.31622 13.41104 12.04475       13.94466  14.49317       
21.23026  10.18693       18.49327  36.69389 15.77689 33.98871 14.66934 
2.705177       21.54298 
1 1 1 6   49 7  o 94.11408 8.524552 102.0618       16.13759  83.37732       
21.43722  126.4969       24.51522  77.83370 14.06158 98.63533 12.50295 
-20.80163      18.81627 
1 1 1 6   49 8  o 34.17170 12.99524 16.09973       12.48507  16.22003       
14.87762  15.81328       22.95693  34.25854 13.83057 34.89322 15.64174 
-0.6346703     20.87938 
1 1 1 6   50 0  o 102.1576 10.59690 118.7951       21.69385  165.4416       
33.84097  86.25235       28.26573  115.2880 14.77462 79.39751 17.93049 
35.89050       23.23342 
1 1 1 6   50 1  o 42.28563 15.74194 22.19077       18.10776  27.97583       
24.96030  15.76345       26.30940  46.02655 18.13378 40.98643 17.59106 
5.040115       25.26419 
1 1 1 6   50 2  o 72.69913 6.465359 56.65137       9.458380  23.85709       
27.26318  61.13855       10.08473  43.84309 18.31561 75.43683 6.641725 
-31.59373      19.48266 
1 1 1 6   50 3  o 24.55872 10.01353 4.061814       7.888313  -6.046100      
12.66638  10.46603       10.08219  23.83516 11.03520 31.34113 11.73080 
-7.505968      16.10551 
1 1 1 6   50 4  o 44.65850 10.95563 24.40470       9.874190  9.165402       
13.79244  40.42756       14.14257  31.81338 13.13626 56.39587 12.64420 
-24.58249      18.23285 
1 1 1 6   50 5  o 84.51880 11.24348 87.74788       18.84488  87.74788       
18.84488  0.000000       0.000000  84.51880 11.24348 ?        ?        
0.000000       11.24348 
1 1 1 6   50 6  o 31.66856 12.43721 11.95404       11.70636  -10.54711      
14.64965  51.70394       19.47121  23.15205 11.06325 57.50706 16.04290 
-34.35502      19.48769 
1 1 1 6   50 7  o 31.93567 13.26863 12.74520       14.19756  -14.76433      
18.40439  53.17596       22.31186  24.24943 11.78610 53.14010 17.66464 
-28.89067      21.23562 
1 1 1 6   50 8  o 16.80029 8.397832 -24.27751      11.90173  -34.88181      
14.37936  -1.208852      21.20850  17.24678 8.701912 28.11512 13.40055 
-10.86834      15.97805 
1 1 1 6   51 0  o 49.42290 16.19191 34.24752       18.77166  52.91672       
27.21302  17.30005       25.92785  57.43227 19.51036 40.45929 17.41595 
16.97299       26.15281 
1 1 1 6   51 1  o 39.69449 15.62085 19.70342       18.50162  7.824478       
27.52978  29.48803       24.98536  37.29110 16.88555 45.05032 18.01592 
-7.759224      24.69200 
1 1 1 6   51 2  o 35.66984 9.597198 15.09700       7.114074  -0.6180915     
24.29213  16.57122       7.440279  33.07407 15.30192 37.31876 9.710884 
-4.244686      18.12319 
1 1 1 6   51 3  o 40.08200 10.07557 19.50027       8.203291  20.90494       
11.99037  18.26423       11.24763  39.80055 12.93608 37.60669 12.54397 
2.193859       18.01925 
1 1 1 6   51 4  o 68.82275 7.704747 53.51540       10.59806  29.14329       
14.43499  82.01563       15.60968  45.02689 14.14749 83.45545 9.359129 
-38.42856      16.96304 
1 1 1 6   51 5  o 23.73075 11.15992 -5.930807      13.79731  -5.930807      
13.79731  0.000000       0.000000  23.73075 11.15992 ?        ?        
0.000000       11.15992 
1 1 1 6   51 6  o 27.07280 11.55406 6.516928       11.23535  10.36843       
14.59457  0.9136477      17.60343  30.44215 13.08469 27.77809 12.91203 
2.664068       18.38287 
1 1 1 6   51 7  o 19.95160 9.618678 -9.792056      11.64183  -7.082761      
14.37228  -14.96165      19.85298  22.88572 10.94210 24.25325 11.88540 
-1.367527      16.15526 
1 1 1 6   52 0  o 38.13399 15.19157 18.80376       17.69844  -4.409633      
25.85118  39.28329       24.28126  32.33036 15.22612 48.57606 18.20027 
-16.24570      23.72940 
1 1 1 6   52 1  f 68.40831 14.22327 63.67968       19.14086  74.39373       
29.63824  56.01381       25.07012  63.56355 20.30674 56.95536 18.71476 
6.608185       27.61532 
1 1 1 6   52 2  o 50.24393 15.90263 39.25636       18.20899  14.54613       
27.42770  58.73075       24.34911  36.83425 16.74748 58.03589 18.39159 
-21.20164      24.87426 
1 1 1 6   52 3  o 47.17108 8.558752 26.26647       7.907543  15.24818       
11.53467  36.03635       10.86157  33.96559 12.57993 53.86663 10.29089 
-19.90104      16.25291 
1 1 1 6   52 4  f 20.52666 9.459117 -2.913622      9.147551  14.47228       
13.53111  -17.54761      12.41413  32.88240 13.21974 18.97425 9.318579 
13.90815       16.17397 
1 1 1 6   52 5  o 24.18453 11.22348 -1.520931      13.21631  -1.520931      
13.21631  0.000000       0.000000  24.18453 11.22348 ?        ?        
0.000000       11.22348 
1 1 1 6   52 6  o 25.97097 11.54620 5.115903       12.23779  -6.303892      
17.37111  16.36826       17.24329  24.62089 11.83930 32.31180 14.05479 
-7.690912      18.37679 
1 1 1 6   53 0  o 30.22505 13.53070 5.558112       17.11645  13.69932       
25.76264  -0.8753698     22.90177  35.54259 16.18759 30.59558 14.38497 
4.947008       21.65561 
1 1 1 6   53 1  o 27.03888 12.73680 -4.234343      18.10702  -18.65706      
27.33234  7.046119       24.17223  28.33405 13.89745 32.70160 15.17695 
-4.367556      20.57860 
1 1 1 6   53 2  o 44.90555 15.91446 35.21816       18.19654  27.55842       
27.89147  40.89439       24.01010  38.30867 17.20213 44.59109 17.71618 
-6.282417      24.69366 
1 1 1 6   53 3  o 14.05838 6.857843 -9.541046      6.390868  -5.680984      
9.375932  -12.89083      8.734251  19.34777 9.129501 16.11913 7.895872 
3.228636       12.07032 
1 1 1 6   53 4  o 47.40892 10.21000 29.60291       9.552320  23.61216       
13.88360  34.98810       13.16321  37.54906 13.82090 47.71518 13.14589 
-10.16613      19.07437 
1 1 1 6   53 5  o 45.25331 13.48063 33.67043       13.33346  33.67043       
13.33346  0.000000       0.000000  45.25331 13.48063 ?        ?        
0.000000       13.48063 
1 1 1 6   54 0  o 19.48814 9.749166 -30.12253      16.18524  -44.39886      
25.15235  -20.03332      21.14457  23.01842 11.60062 24.37289 12.00739 
-1.354469      16.69587 
1 1 1 6   54 1  o 53.61223 15.73536 50.12985       18.27749  70.76115       
29.08219  36.66076       23.49812  52.11598 19.83022 40.75619 17.01310 
11.35979       26.12820 
1 1 1 6   54 2  o 27.89070 12.81699 5.484671       16.63714  -19.98428      
26.85875  21.34095       21.19243  26.11503 12.98333 34.22794 15.20673 
-8.112906      19.99529 
1 1 1 6   54 3  o 14.29699 6.871618 -6.338617      5.835163  -5.346679      
8.374657  -7.274570      8.134897  17.99632 8.532439 16.96830 8.144377 
1.028021       11.79548 
1 1 1 6   54 4  o 26.75776 10.51046 9.515973       8.361666  -0.1580853     
11.64767  19.80308       12.01106  22.60963 10.50742 34.09560 12.79560 
-11.48597      16.55696 
1 1 1 6   55 0  o 29.78109 13.37110 11.97938       16.84556  -12.89703      
26.62917  28.57611       21.75079  26.46607 13.11827 35.87971 15.69180 
-9.413635      20.45292 
1 1 1 6   55 1  o 27.82836 12.84013 7.758921       16.93421  61.47000       
27.94860  -23.39793      21.28653  44.16565 18.50493 22.63529 11.30196 
21.53035       21.68333 
1 1 1 6   55 2  o 23.67149 11.83207 -20.46417      23.61703  -20.46417      
23.61703  0.000000       0.000000  23.67149 11.83207 ?        ?        
0.000000       11.83207 
1 1 1 6   55 3  o 24.42354 10.00828 7.302191       7.929563  5.655755       
26.69858  7.461475       8.304281  27.80867 13.65904 24.64548 10.18609 
3.163191       17.03895 
1 1 1 6   56 0  f 44.22332 15.64487 44.00084       17.57778  40.48748       
27.52866  46.41936       22.84015  34.71659 16.14045 39.44408 16.63784 
-4.727493      23.18042 
1 1 1 6   56 1  o 22.72039 11.09170 -6.072948      16.80795  6.901999       
26.15170  -15.20467      21.93934  27.35270 13.45179 23.03587 11.49748 
4.316830       17.69584 
1 1 1 7   0  0  f 310.0011 7.405083 979.6628       46.62131  979.6628       
46.62131  979.6628       46.62131  310.0011 7.405083 310.0011 7.405083 
0.000000       0.000000 
1 1 1 7   0  1  o 179.7356 5.037661 329.3600       18.37986  329.3600       
18.37986  329.3600       18.37986  179.7356 5.037661 179.7356 5.037661 
0.000000       0.000000 
1 1 1 7   0  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 7   0  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 7   0  4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 7   0  5  f 595.2796 8.017118 3607.312       97.00925  3607.312       
97.00925  3607.312       97.00925  595.2796 8.017118 595.2796 8.017118 
0.000000       0.000000 
1 1 1 7   0  6  o 900.5432 11.12648 8261.808       203.6875  8261.808       
203.6875  8261.808       203.6875  900.5432 11.12648 900.5432 11.12648 
0.000000       0.000000 
1 1 1 7   0  7  o 404.8932 10.01655 1672.530       82.35862  1672.530       
82.35862  1672.530       82.35862  404.8932 10.01655 404.8932 10.01655 
0.000000       0.000000 
1 1 1 7   0  8  o 324.2714 6.875734 1071.667       45.29375  1071.667       
45.29375  1071.667       45.29375  324.2714 6.875734 324.2714 6.875734 
0.000000       0.000000 
1 1 1 7   0  9  o 46.52636 22.29374 32.75706       24.28842  32.75706       
24.28842  32.75706       24.28842  46.52636 22.29374 46.52636 22.29374 
0.000000       0.000000 
1 1 1 7   0  10 o 420.9072 7.173427 1806.815       61.35923  1806.815       
61.35923  1806.815       61.35923  420.9072 7.173427 420.9072 7.173427 
0.000000       0.000000 
1 1 1 7   0  11 o 294.1761 6.814421 883.6023       40.71563  883.6023       
40.71563  883.6023       40.71563  294.1761 6.814421 294.1761 6.814421 
0.000000       0.000000 
1 1 1 7   0  12 o 159.4756 8.493303 262.0827       27.36524  262.0827       
27.36524  262.0827       27.36524  159.4756 8.493303 159.4756 8.493303 
0.000000       0.000000 
1 1 1 7   0  13 o 148.6806 9.239984 229.0029       27.68956  229.0029       
27.68956  229.0029       27.68956  148.6806 9.239984 148.6806 9.239984 
0.000000       0.000000 
1 1 1 7   0  14 o 101.9677 13.18183 112.7174       26.07504  112.7174       
26.07504  112.7174       26.07504  101.9677 13.18183 101.9677 13.18183 
0.000000       0.000000 
1 1 1 7   0  15 o 24.16143 16.66036 -18.69674      27.28752  -18.69674      
27.28752  -18.69674      27.28752  24.16143 16.66036 24.16143 16.66036 
0.000000       0.000000 
1 1 1 7   0  16 o 227.5963 9.021218 535.8640       41.60343  535.8640       
41.60343  535.8640       41.60343  227.5963 9.021218 227.5963 9.021218 
0.000000       0.000000 
1 1 1 7   0  17 o 61.65163 23.74413 56.88761       28.20453  56.88761       
28.20453  56.88761       28.20453  61.65163 23.74413 61.65163 23.74413 
0.000000       0.000000 
1 1 1 7   0  18 o 45.97654 23.20819 37.34234       26.88219  37.34234       
26.88219  37.34234       26.88219  45.97654 23.20819 45.97654 23.20819 
0.000000       0.000000 
1 1 1 7   0  19 o 74.19743 19.45403 74.45153       25.36173  74.45153       
25.36173  74.45153       25.36173  74.19743 19.45403 74.19743 19.45403 
0.000000       0.000000 
1 1 1 7   1  0  o 353.6717 4.548761 1272.663       32.71485  1211.520       
54.66910  1306.774       40.83305  344.8474 7.795850 358.3178 5.603920 
-13.47040      9.600999 
1 1 1 7   1  1  f 158.0868 4.162376 254.2310       13.38100  253.6230       
16.29448  255.4902       23.44898  157.8786 5.075346 158.3970 7.279905 
-0.5183411     8.874467 
1 1 1 7   1  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 7   1  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 7   1  4  o 563.4208 7.569798 3231.090       86.72985  0.000000       
0.000000  3231.090       86.72985  ?        ?        563.4208 7.569798 
0.000000       7.569798 
1 1 1 7   1  5  o 318.9323 4.959115 1034.707       32.16282  1042.702       
39.88766  1019.847       54.37880  320.1236 6.127304 316.4961 8.449087 
3.627502       10.43700 
1 1 1 7   1  6  o 325.5003 4.612982 1077.759       30.53406  1133.652       
43.98434  1025.766       42.42141  333.7602 6.480553 317.4778 6.570831 
16.28241       9.228943 
1 1 1 7   1  7  o 188.8166 8.316165 363.1656       31.93117  366.6351       
44.72702  359.5593       45.60063  189.1895 11.68293 187.3055 12.03578 
1.884018       16.77352 
1 1 1 7   1  8  o 149.1220 6.519696 226.4410       19.77063  247.4837       
28.80380  207.6957       27.18606  155.5172 9.148231 142.3895 9.442523 
13.12770       13.14729 
1 1 1 7   1  9  o 258.5561 5.673829 680.7761       29.83201  667.3674       
49.66055  688.3468       37.31517  255.6341 9.553032 259.8794 7.060934 
-4.245255      11.87928 
1 1 1 7   1  10 o 695.7758 6.542183 4935.692       92.56428  4905.298       
130.1471  4966.805       131.6776  692.6898 9.239412 696.9982 9.290280 
-4.308350      13.10252 
1 1 1 7   1  11 o 69.13190 12.13066 50.56414       16.43156  55.28150       
23.11969  45.74921       23.35759  71.60303 16.25030 65.14776 17.32913 
6.455269       23.75649 
1 1 1 7   1  12 o 127.4838 6.990500 166.5164       18.05323  167.9582       
26.00324  165.1747       25.08383  127.5106 10.11127 126.4977 9.828404 
1.012955       14.10090 
1 1 1 7   1  13 o 114.2216 8.120706 134.2944       18.73936  140.4934       
27.15088  128.6549       25.89650  116.1101 11.65641 111.0659 11.63883 
5.044197       16.47223 
1 1 1 7   1  14 o 263.6884 5.251350 709.5350       28.15875  655.7502       
38.99387  768.1473       40.70629  253.0034 7.579117 273.9009 7.308304 
-20.89755      10.52874 
1 1 1 7   1  15 o 265.0533 6.294753 718.4927       33.92839  766.0911       
57.20975  692.6695       42.13850  272.3539 10.32964 259.7892 7.976394 
12.56473       13.05083 
1 1 1 7   1  16 o 225.4688 6.243261 520.2443       28.62525  514.2881       
40.28231  526.3203       40.68513  223.4424 8.865380 226.0459 8.850906 
-2.603439      12.52731 
1 1 1 7   1  17 o 53.80362 17.01140 31.18610       20.84089  28.70586       
29.11728  33.79153       29.84305  54.75172 20.03599 57.62053 20.38497 
-2.868809      28.58300 
1 1 1 7   1  18 o 78.77251 12.94434 67.68860       20.01465  92.20504       
28.53342  43.94180       28.08197  90.75243 16.04833 61.99053 19.76242 
28.76189       25.45785 
1 1 1 7   1  19 o 101.9797 8.925266 110.1280       18.32278  121.7772       
25.20048  97.06291       26.68811  105.6838 11.93507 92.67732 14.64775 
13.00652       18.89450 
1 1 1 7   2  0  o 105.6005 4.615861 113.4622       9.912204  97.76524       
16.93136  121.6474       12.22643  97.56268 8.622854 109.1875 5.524465 
-11.62483      10.24077 
1 1 1 7   2  1  o 236.0952 4.100915 567.0262       19.68881  583.5552       
24.39449  536.1382       33.34747  239.4835 5.009159 229.4631 7.146585 
10.02036       8.727276 
1 1 1 7   2  2  o 554.0435 5.228082 3123.221       58.90303  3153.477       
118.5062  3113.293       67.88219  556.1539 10.47839 553.1000 6.035326 
3.053894       12.09223 
1 1 1 7   2  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 7   2  4  o 253.1974 4.017928 652.0333       20.68772  660.2583       
29.80516  644.3868       28.73775  254.7493 5.753433 251.6725 5.615205 
3.076828       8.039435 
1 1 1 7   2  5  o 286.5563 4.844381 835.2794       28.22927  825.4365       
34.58971  854.9103       48.84921  284.8304 5.971853 289.7816 8.289632 
-4.951172      10.21670 
1 1 1 7   2  6  o 154.3595 8.390008 243.3454       26.23692  243.3454       
26.23692  0.000000       0.000000  154.3595 8.390008 ?        ?        
0.000000       8.390008 
1 1 1 7   2  7  o 276.1786 5.730195 776.2225       32.18184  806.1278       
55.95346  761.4395       39.33993  281.2102 9.784632 273.4727 7.074050 
7.737488       12.07399 
1 1 1 7   2  8  o 193.9902 5.608153 383.0601       22.12337  416.9629       
32.11774  352.4507       30.51786  202.2868 7.807752 185.9671 8.069872 
16.31978       11.22871 
1 1 1 7   2  9  o 128.7152 8.032811 169.6335       20.92062  158.2961       
32.81956  177.3934       27.15211  123.5544 13.27032 131.3592 10.24565 
-7.804825      16.76528 
1 1 1 7   2  10 o 199.9106 5.376089 407.0997       21.85515  415.3299       
30.93404  398.8974       30.88171  201.7401 7.540378 197.6952 7.681638 
4.044846       10.76405 
1 1 1 7   2  11 o 195.7076 5.472379 390.3820       21.77886  403.7493       
30.84163  377.0867       30.75847  198.8030 7.628917 192.0973 7.873940 
6.705750       10.96354 
1 1 1 7   2  12 o 160.5871 6.174717 263.1738       20.16411  289.3676       
29.28036  239.5459       27.80921  167.8831 8.605577 152.6344 8.999334 
15.24870       12.45167 
1 1 1 7   2  13 o 269.1199 5.948674 739.3395       32.55498  785.7767       
59.15231  719.1625       38.99135  276.2735 10.52885 265.1706 7.230886 
11.10294       12.77272 
1 1 1 7   2  14 o 52.76220 15.42731 29.78660       17.59845  24.01368       
25.18605  35.29410       24.60023  51.45422 18.66396 57.95500 18.49898 
-6.500774      26.27843 
1 1 1 7   2  15 o 129.3667 9.355596 173.2310       24.44592  151.3074       
40.26467  186.0301       30.76499  118.3427 17.23769 133.5130 11.44190 
-15.17030      20.68950 
1 1 1 7   2  16 o 197.4885 6.598962 399.4480       26.50140  392.4294       
37.43135  406.5022       37.52611  195.0089 9.439079 198.5187 9.295670 
-3.509796      13.24786 
1 1 1 7   2  17 o 41.30584 16.19939 11.98806       19.83370  11.68040       
27.03729  12.34651       29.18369  45.63662 18.56533 47.16836 19.24957 
-1.531742      26.74355 
1 1 1 7   2  18 o 61.95013 15.43809 43.33153       19.37847  37.46475       
27.80728  48.87091       27.02025  58.19174 19.72246 64.94170 19.15249 
-6.749962      27.49170 
1 1 1 7   2  19 o 61.71545 15.47279 44.27181       19.38206  44.19076       
23.49970  44.44426       34.27691  60.86543 17.83599 60.97682 21.81742 
-0.1113968     28.18018 
1 1 1 7   3  0  o 199.5583 3.438902 405.0656       13.95536  400.8298       
19.73934  409.2984       19.73237  198.4737 4.890782 200.5610 4.838172 
-2.087326      6.879510 
1 1 1 7   3  1  o 395.4474 4.853540 1591.056       39.03002  1665.210       
49.17534  1464.824       64.16021  404.4886 5.978464 379.1936 8.320575 
25.29504       10.24568 
1 1 1 7   3  2  o 310.2660 3.852219 979.1460       24.30505  990.4603       
49.20829  975.4951       27.95271  311.8805 7.758873 309.6686 4.438899 
2.211914       8.938899 
1 1 1 7   3  3  f 223.9874 3.858607 510.2723       17.57541  572.4347       
26.39590  460.7642       23.55651  237.2018 5.472264 212.8118 5.443318 
24.38997       7.718509 
1 1 1 7   3  4  o 802.9441 10.01686 6567.487       163.5567  6567.487       
163.5567  0.000000       0.000000  802.9441 10.01686 ?        ?        
0.000000       10.01686 
1 1 1 7   3  5  o 709.8967 6.420217 5128.005       92.68218  5169.071       
107.8260  5011.832       181.3577  712.6389 7.440507 701.0151 12.72206 
11.62378       14.73811 
1 1 1 7   3  6  o 334.5140 4.579407 1138.279       31.15122  1156.468       
44.36831  1120.595       43.74720  337.0994 6.472373 331.8294 6.483119 
5.270020       9.160919 
1 1 1 7   3  7  o 350.4081 4.843414 1249.247       34.51255  1182.375       
47.69212  1322.766       50.00632  340.7890 6.881919 360.4577 6.822117 
-19.66867      9.690310 
1 1 1 7   3  8  o 144.0061 7.629076 211.8869       22.26143  206.9020       
28.64949  219.4829       35.36551  142.0483 9.981511 146.0565 12.01365 
-4.008286      15.61917 
1 1 1 7   3  9  o 184.3087 6.440773 346.0984       24.13988  335.0495       
39.48471  352.6933       30.50497  180.6927 10.79512 185.9486 8.067266 
-5.255844      13.47647 
1 1 1 7   3  10 o 319.8740 4.809741 1041.917       31.28615  986.7487       
43.02587  1103.815       45.57464  311.0565 6.802037 328.9897 6.812234 
-17.93320      9.626746 
1 1 1 7   3  11 o 246.7597 5.007305 620.3833       25.12637  635.5381       
35.76016  605.6059       35.31218  249.5050 7.048047 243.5471 7.130010 
5.957916       10.02557 
1 1 1 7   3  12 o 52.83046 14.66939 29.84163       16.31991  46.73574       
23.50162  14.10813       22.67999  65.66505 17.34242 44.97833 17.41031 
20.68673       24.57393 
1 1 1 7   3  13 o 124.5802 8.932611 160.0294       22.47949  217.3936       
42.49890  137.7454       26.48830  143.7597 14.74624 114.9892 11.48129 
28.77050       18.68881 
1 1 1 7   3  14 o 298.3084 5.236084 908.0922       31.76315  842.4765       
43.70844  981.5222       46.23796  286.7842 7.494776 309.5924 7.344411 
-22.80817      10.49343 
1 1 1 7   3  15 o 118.3904 9.797300 145.4939       23.37512  113.8989       
39.07278  163.1045       29.17104  101.4808 19.64381 124.8985 11.61855 
-23.41770      22.82258 
1 1 1 7   3  16 o 178.0629 7.037807 325.0732       25.48369  299.7928       
36.12218  350.1231       35.95715  169.8293 10.51114 183.8870 9.649440 
-14.05768      14.26870 
1 1 1 7   3  17 o 201.9844 6.530925 418.6407       26.82525  397.2320       
37.84813  440.2509       38.02577  195.7539 9.507856 206.2608 9.065880 
-10.50685      13.13733 
1 1 1 7   3  18 o 39.98981 15.84967 11.19775       19.17443  5.785327       
28.05778  15.94041       26.26446  43.16098 18.33533 46.43238 18.50351 
-3.271397      26.04926 
1 1 1 7   3  19 o 76.20871 21.03966 73.08666       33.67710  0.000000       
0.000000  73.08666       33.67710  ?        ?        76.20871 21.03966 
0.000000       21.03966 
1 1 1 7   4  0  o 280.4608 3.614806 800.1014       20.61620  764.1373       
28.54914  839.2929       29.80267  274.0281 5.123261 287.1888 5.103124 
-13.16074      7.231160 
1 1 1 7   4  1  o 306.3752 3.761020 954.7691       23.43207  953.1498       
33.24921  956.3669       33.02781  306.0544 5.342338 306.5724 5.297795 
-0.5180969     7.523776 
1 1 1 7   4  2  o 286.8334 4.377445 836.9150       25.53300  864.2090       
45.42134  824.3057       30.87259  291.3340 7.666857 284.6325 5.333803 
6.701477       9.339708 
1 1 1 7   4  3  o 176.1279 5.498720 315.6067       19.69433  0.000000       
0.000000  315.6067       19.69433  ?        ?        176.1279 5.498720 
0.000000       5.498720 
1 1 1 7   4  4  o 657.6286 6.962937 4401.215       93.11605  4424.708       
114.9248  4356.321       158.8724  659.2288 8.572869 653.6954 11.95148 
5.533386       14.70822 
1 1 1 7   4  5  o 349.3810 4.365585 1241.587       31.01652  1257.390       
36.26339  1198.519       59.86442  351.5752 5.072227 343.0901 8.580433 
8.485107       9.967513 
1 1 1 7   4  6  o 95.88304 8.453288 94.34986       16.31368  87.45486       
22.98137  101.3535       23.16174  91.72433 12.65811 99.00291 11.73290 
-7.278580      17.25945 
1 1 1 7   4  7  o 177.6103 5.795023 321.0435       20.93027  305.6888       
29.43906  336.7384       29.76335  173.2236 8.357292 181.8210 8.049824 
-8.597412      11.60362 
1 1 1 7   4  8  o 338.1683 5.453541 1164.027       37.50273  1184.565       
47.08863  1128.404       62.01539  341.0358 6.789920 332.6210 9.168502 
8.414825       11.40896 
1 1 1 7   4  9  o 106.2696 15.74866 118.6738       33.00316  118.6738       
33.00316  0.000000       0.000000  106.2696 15.74866 ?        ?        
0.000000       15.74866 
1 1 1 7   4  10 o 223.2255 5.127443 507.5325       23.27534  493.1636       
32.59070  522.4904       33.25187  219.8480 7.289870 226.2973 7.225789 
-6.449341      10.26422 
1 1 1 7   4  11 o 219.1042 5.239989 489.2267       23.34708  499.7581       
33.20744  478.9326       32.83128  221.2027 7.382330 216.5350 7.456041 
4.667709       10.49244 
1 1 1 7   4  12 o 290.9236 4.959969 862.6417       29.34332  945.3933       
42.77103  789.0596       40.33175  304.2113 6.913898 277.8799 7.137374 
26.33139       9.937006 
1 1 1 7   4  13 o 185.5960 6.902741 352.1504       26.05204  340.9425       
47.37801  357.0080       31.19086  180.9434 12.96192 186.6600 8.217212 
-5.716644      15.34711 
1 1 1 7   4  14 o 104.2672 9.321554 112.6829       19.55615  128.4783       
27.45715  96.42023       27.86041  110.6225 12.42025 94.93243 14.92434 
15.69003       19.41645 
1 1 1 7   4  15 o 200.9055 7.021476 413.4363       28.68610  399.9017       
47.14701  421.3919       36.14679  195.9131 11.89046 202.4100 8.781859 
-6.496826      14.78188 
1 1 1 7   4  16 o 276.0001 6.994609 780.9890       39.25763  758.6185       
46.22821  838.8464       74.34461  271.5334 8.372063 283.2386 12.90761 
-11.70520      15.38498 
1 1 1 7   4  17 o 39.87340 16.89239 3.428550       23.70963  -1.476619      
27.23150  18.79812       48.20315  40.51656 17.64300 58.50040 24.38915 
-17.98384      30.10160 
1 1 1 7   4  18 o 33.89492 14.75297 -1.014391      19.02344  -12.55614      
26.81632  10.67816       26.99094  36.11993 16.47560 44.45948 18.36869 
-8.339554      24.67497 
1 1 1 7   4  19 o 42.42471 16.19868 16.51817       19.44788  16.03102       
24.10030  17.42757       32.92839  44.35857 17.70977 48.82214 20.23943 
-4.463577      26.89369 
1 1 1 7   5  0  o 305.1372 3.724060 947.1043       23.10804  932.3223       
32.49451  962.2283       32.86810  302.6811 5.279263 307.4985 5.256301 
-4.817383      7.449786 
1 1 1 7   5  1  o 163.7334 4.209532 272.7128       14.01595  265.1913       
25.11103  276.1165       16.89210  161.3699 7.652274 164.7347 5.042514 
-3.364746      9.164291 
1 1 1 7   5  2  o 149.6399 8.004936 228.6707       24.27055  228.6707       
24.27055  0.000000       0.000000  149.6399 8.004936 ?        ?        
0.000000       8.004936 
1 1 1 7   5  3  o 351.9127 4.147808 1259.628       29.68281  1311.006       
43.93885  1216.497       40.25793  358.9490 6.019557 345.7811 5.725307 
13.16791       8.307479 
1 1 1 7   5  4  o 303.6096 4.171457 937.5464       25.75459  949.5248       
30.36487  906.8373       48.61899  305.5245 4.887356 298.4662 8.010494 
7.058289       9.383723 
1 1 1 7   5  5  o 333.8540 5.051266 1133.830       34.29322  1147.682       
42.93274  1109.415       56.99941  335.8419 6.286406 330.0919 8.491493 
5.749969       10.56524 
1 1 1 7   5  6  o 411.6526 6.672645 1724.730       55.85735  1773.792       
80.85558  1679.940       77.25577  417.2480 9.529372 406.0747 9.355642 
11.17337       13.35429 
1 1 1 7   5  7  o 88.00783 10.01405 79.99140       17.60271  50.98601       
25.27400  107.3157       24.53063  69.20596 17.84415 101.8175 12.08359 
-32.61157      21.55057 
1 1 1 7   5  8  o 200.8142 6.226849 410.6265       25.42812  427.5737       
31.88718  381.0269       42.14152  204.8395 7.655101 192.8609 10.78846 
11.97868       13.22843 
1 1 1 7   5  9  o 235.0390 5.782284 562.6608       27.63700  611.2302       
47.29446  537.4752       34.05692  244.6165 9.507649 229.6021 7.294208 
15.01436       11.98336 
1 1 1 7   5  10 o 256.8961 4.954628 672.1331       25.88332  711.9227       
37.00353  634.0145       36.21819  264.1871 6.887794 249.2827 7.144686 
14.90439       9.924124 
1 1 1 7   5  11 o 102.4924 8.364249 108.1394       17.28093  113.7203       
24.64686  102.7430       24.23616  104.5041 11.80476 99.16878 12.28079 
5.335304       17.03438 
1 1 1 7   5  12 o 62.54622 13.38963 41.97835       16.51629  48.48639       
22.31190  34.08922       24.56553  66.86067 16.50883 57.48861 18.50028 
9.372063       24.79520 
1 1 1 7   5  13 o 288.1373 6.086661 847.7891       35.66400  826.5333       
59.78611  859.5311       44.43595  283.3460 10.37604 289.7936 7.540397 
-6.447601      12.82653 
1 1 1 7   5  14 o 112.4949 10.71125 131.7953       24.20740  142.9643       
27.55303  94.00021       50.68502  116.9353 11.74582 90.69799 26.08472 
26.23734       28.60728 
1 1 1 7   5  15 o 111.6569 13.85673 132.2490       30.78655  115.8314       
39.11847  158.9655       49.90181  102.3699 19.50352 119.5373 21.31011 
-17.16743      28.88785 
1 1 1 7   5  16 o 40.74089 16.42339 9.064869       20.94536  26.16113       
29.58669  -8.111437      29.65586  54.08298 20.12444 40.35640 17.95630 
13.72658       26.97076 
1 1 1 7   5  17 o 70.83821 14.96517 55.35433       20.88214  50.21967       
31.87488  59.21511       27.63951  66.77962 21.02967 72.22459 18.67920 
-5.444969      28.12756 
1 1 1 7   5  18 o 87.95177 11.49704 83.09906       20.07065  75.89874       
28.98744  89.72969       27.81708  81.03790 18.05266 89.43201 15.87717 
-8.394112      24.04128 
1 1 1 7   5  19 o 46.72173 16.44066 23.54325       19.38648  22.63632       
24.18712  25.17272       32.42067  47.69693 18.09982 51.64284 20.56489 
-3.945915      27.39559 
1 1 1 7   6  0  o 628.6092 6.578564 4023.009       84.09366  4010.672       
145.8639  4029.150       102.9195  626.8151 11.44345 628.8847 8.047761 
-2.069580      13.98996 
1 1 1 7   6  1  o 385.9525 4.164243 1515.265       32.68296  1485.013       
65.10921  1525.456       37.78882  381.8123 8.385733 387.2189 4.799050 
-5.406586      9.661853 
1 1 1 7   6  2  o 438.8654 5.218341 1959.557       46.57096  2062.185       
83.74035  1913.603       56.03589  449.9166 9.152743 433.6228 6.354813 
16.29382       11.14255 
1 1 1 7   6  3  o 359.7065 4.183949 1316.042       30.60456  1328.696       
44.29225  1304.480       42.33670  361.3638 6.027423 358.0647 5.814389 
3.299072       8.374781 
1 1 1 7   6  4  o 316.3551 4.212162 1017.923       27.09763  1031.286       
31.87780  983.1176       51.44729  318.4055 4.923300 310.7587 8.141188 
7.646820       9.514086 
1 1 1 7   6  5  o 168.8194 4.845140 289.9118       16.63336  260.9271       
19.40939  370.0588       32.27536  160.1392 5.960227 190.6468 8.325110 
-30.50764      10.23874 
1 1 1 7   6  6  o 360.5627 5.222968 1322.693       38.29566  1255.405       
45.89769  1476.875       69.47633  351.2143 6.426391 380.7623 8.972874 
-29.54797      11.03680 
1 1 1 7   6  7  o 374.2583 6.885999 1426.164       52.40706  0.000000       
0.000000  1426.164       52.40706  ?        ?        374.2583 6.885999 
0.000000       6.885999 
1 1 1 7   6  8  o 266.6077 6.985590 724.0925       37.87278  724.0925       
37.87278  0.000000       0.000000  266.6077 6.985590 ?        ?        
0.000000       6.985590 
1 1 1 7   6  9  o 203.2818 5.423745 420.8177       22.42070  456.2950       
32.06205  386.8667       31.36476  211.5312 7.453587 194.7377 7.920278 
16.79350       10.87597 
1 1 1 7   6  10 o 87.02798 9.845481 78.49425       17.11751  73.09132       
23.52244  84.57619       24.95682  83.03731 14.45536 89.53319 14.17979 
-6.495880      20.24905 
1 1 1 7   6  11 o 161.1125 7.313725 265.1375       23.96180  266.6210       
28.68403  261.7112       43.59172  161.1650 8.785374 158.6136 13.64778 
2.551315       16.23098 
1 1 1 7   6  12 o 282.9658 5.878232 816.9749       33.82456  844.3058       
40.66814  755.6383       60.92390  287.4589 6.957083 270.9379 11.05774 
16.52100       13.06425 
1 1 1 7   6  13 o 145.7507 8.122030 218.3376       23.97713  256.5674       
43.25514  201.3803       28.80813  156.5585 13.72511 139.5139 10.22544 
17.04460       17.11544 
1 1 1 7   6  14 o 74.23367 18.03175 60.74045       26.95021  60.74045       
26.95021  0.000000       0.000000  74.23367 18.03175 ?        ?        
0.000000       18.03175 
1 1 1 7   6  15 o 251.5800 6.434617 647.6218       32.91927  686.9176       
55.23990  625.9811       40.99361  257.7359 10.53966 246.8661 8.165886 
10.86980       13.33290 
1 1 1 7   6  16 o 173.1934 7.228844 307.7862       25.45960  301.9684       
37.22473  312.8996       34.89839  170.2755 10.80647 173.6618 9.923283 
-3.386322      14.67145 
1 1 1 7   6  17 o 53.17057 16.83052 30.54246       20.39555  65.16623       
30.37414  2.112843       27.52342  75.43279 19.61692 41.97398 18.00300 
33.45882       26.62577 
1 1 1 7   6  18 o 40.87883 15.96137 12.93602       19.19025  -25.04470      
28.09554  46.15186       26.27414  33.74318 15.88596 63.04521 18.95607 
-29.30203      24.73249 
1 1 1 7   6  19 o 35.52309 15.84003 -3.665502      23.21218  6.236194       
34.13811  -12.17977      31.65617  45.31425 19.74249 38.62585 17.72420 
6.688396       26.53135 
1 1 1 7   7  0  o 272.1721 4.159398 753.5774       23.02107  853.8344       
43.14351  713.6694       27.21998  289.5585 7.327025 264.8354 5.054292 
24.72308       8.901189 
1 1 1 7   7  1  o 490.0169 4.778537 2442.873       47.61650  2299.096       
91.55981  2496.175       55.74852  474.9654 9.479632 495.2839 5.535129 
-20.31851      10.97730 
1 1 1 7   7  2  f 223.3406 7.448132 507.8087       33.82724  507.8087       
33.82724  0.000000       0.000000  223.3406 7.448132 ?        ?        
0.000000       7.448132 
1 1 1 7   7  3  o 308.8746 4.014074 970.3411       25.21268  940.3671       
36.27150  998.3637       35.07103  304.0116 5.867106 313.2589 5.505461 
-9.247345      8.045684 
1 1 1 7   7  4  o 292.1191 4.168403 867.9276       24.76174  872.0549       
29.04452  856.9460       47.37686  292.7952 4.878078 290.1366 8.029941 
2.658539       9.395509 
1 1 1 7   7  5  o 284.5395 4.981368 823.6124       28.82322  801.9973       
35.60961  864.6797       49.08365  280.7411 6.237488 291.4190 8.282616 
-10.67789      10.36861 
1 1 1 7   7  6  o 266.1089 5.172230 720.4768       27.98908  740.9018       
35.15762  685.1294       46.25060  269.8080 6.407863 259.3424 8.769855 
10.46564       10.86145 
1 1 1 7   7  7  o 240.6034 6.052440 589.2639       29.61309  613.2921       
35.01582  528.9177       55.49168  245.4129 7.016420 227.2601 12.05058 
18.15280       13.94441 
1 1 1 7   7  8  o 234.3652 7.238683 559.6686       34.49881  559.6686       
34.49881  0.000000       0.000000  234.3652 7.238683 ?        ?        
0.000000       7.238683 
1 1 1 7   7  9  o 105.0535 10.38851 113.9580       21.90216  99.11948       
25.51532  155.5047       42.69479  97.40437 13.22348 121.3970 17.82571 
-23.99260      22.19497 
1 1 1 7   7  10 o 199.0109 5.357252 403.5154       21.68055  448.9522       
31.06680  360.3778       30.27056  209.7355 7.284054 187.8457 7.924425 
21.88982       10.76355 
1 1 1 7   7  11 o 118.7252 7.511936 144.5982       18.04271  157.8916       
26.18778  132.5860       24.89384  123.5803 10.52087 113.0834 10.96304 
10.49683       15.19463 
1 1 1 7   7  12 o 242.1049 5.167544 597.6208       25.44129  626.6253       
36.29734  569.6107       35.66971  247.5881 7.209310 236.0163 7.432008 
11.57176       10.35417 
1 1 1 7   7  13 o 242.7654 5.416429 601.3484       26.73938  558.9735       
37.31328  646.0825       38.33791  233.6028 7.854780 251.2269 7.504312 
-17.62411      10.86335 
1 1 1 7   7  14 o 42.58890 17.83569 4.922325       25.94362  4.922325       
25.94362  0.000000       0.000000  42.58890 17.83569 ?        ?        
0.000000       17.83569 
1 1 1 7   7  15 f 56.93124 16.18769 35.22510       19.62898  4.629354       
27.57410  66.65812       27.94884  43.49524 18.31024 77.58365 18.05413 
-34.08841      25.71414 
1 1 1 7   7  16 o 206.7422 7.388682 438.8372       31.06330  449.4430       
51.26125  432.6826       39.04976  207.1610 12.22243 204.6817 9.381838 
2.479309       15.40801 
1 1 1 7   7  17 o 263.1236 6.486949 710.8597       34.70977  681.5651       
58.13993  727.0828       43.26617  255.1971 11.20333 265.4302 8.015796 
-10.23311      13.77562 
1 1 1 7   7  18 o 89.64835 13.50635 88.16953       23.85831  38.41870       
48.05157  104.4474       27.48564  62.77514 25.02417 97.29267 14.32070 
-34.51754      28.83213 
1 1 1 7   7  19 o 50.35299 16.43986 29.09195       19.35715  4.258076       
24.33107  71.91360       31.94999  39.16400 16.86472 75.57203 20.34087 
-36.40803      26.42290 
1 1 1 7   8  0  o 539.8069 5.868542 2965.655       64.41991  2827.982       
108.1193  3041.430       80.21243  526.6274 10.09598 546.5237 7.217407 
-19.89630      12.41047 
1 1 1 7   8  1  o 321.2789 3.848822 1049.904       25.14556  1095.250       
52.16157  1036.175       28.70065  327.9503 7.821520 319.1522 4.422242 
8.798157       8.985122 
1 1 1 7   8  2  o 183.8381 4.287061 343.7701       16.02679  356.2107       
28.64303  338.1000       19.33720  187.0562 7.530010 182.2980 5.216272 
4.758179       9.160270 
1 1 1 7   8  3  o 410.5285 5.204352 1714.504       43.44715  1696.725       
53.15465  1750.290       75.41476  408.3390 6.401312 414.5761 8.945418 
-6.237091      10.99988 
1 1 1 7   8  4  o 70.09724 10.94950 51.26754       15.09756  51.26754       
15.09756  0.000000       0.000000  70.09724 10.94950 ?        ?        
0.000000       10.94950 
1 1 1 7   8  5  o 553.2695 6.284559 3114.938       70.70708  3114.938       
70.70708  0.000000       0.000000  553.2695 6.284559 ?        ?        
0.000000       6.284559 
1 1 1 7   8  6  o 678.9290 12.52257 4705.111       172.8898  0.000000       
0.000000  4705.111       172.8898  ?        ?        678.9290 12.52257 
0.000000       12.52257 
1 1 1 7   8  7  o 434.2769 7.164341 1920.708       63.26950  0.000000       
0.000000  1920.708       63.26950  ?        ?        434.2769 7.164341 
0.000000       7.164341 
1 1 1 7   8  8  o 59.83059 17.21401 37.68392       22.06963  36.00476       
25.40256  42.85303       44.56968  59.45652 18.77920 69.25411 24.86786 
-9.797596      31.16198 
1 1 1 7   8  9  o 117.2214 7.734412 140.7928       18.33319  168.8105       
26.57877  115.3640       25.32104  128.0597 10.29332 105.4184 12.02702 
22.64127       15.83041 
1 1 1 7   8  10 o 212.0742 5.203149 458.2039       22.43911  483.7991       
32.03622  433.5532       31.43957  217.7155 7.236032 206.0705 7.502559 
11.64507       10.42346 
1 1 1 7   8  11 o 150.7719 6.194890 231.9331       18.99352  244.2395       
27.07907  220.0155       26.64791  154.2268 8.669371 146.2969 9.000965 
7.929855       12.49701 
1 1 1 7   8  12 o 309.5468 4.944180 976.7740       31.12232  986.7563       
43.57206  966.3766       44.46885  310.7465 6.895256 307.4717 7.112123 
3.274780       9.905900 
1 1 1 7   8  13 o 101.2278 9.206259 106.1138       18.74395  92.76524       
26.88615  118.7369       26.14528  93.25627 14.66133 106.4080 12.31009 
-13.15170      19.14400 
1 1 1 7   8  14 o 237.0599 11.04894 581.3367       53.26355  581.3367       
53.26355  0.000000       0.000000  237.0599 11.04894 ?        ?        
0.000000       11.04894 
1 1 1 7   8  15 o 102.0562 11.61464 109.4487       23.67507  119.7375       
39.45484  103.6596       29.59536  104.0769 19.35444 98.12978 15.33265 
5.947136       24.69179 
1 1 1 7   8  16 o 321.5387 5.603920 1057.255       36.64179  1027.923       
51.94656  1086.301       51.69301  316.0721 8.082006 325.0458 7.820523 
-8.973694      11.24631 
1 1 1 7   8  17 o 90.17773 11.96383 86.84216       21.39762  42.93828       
31.09831  126.3156       29.48750  62.45254 20.85843 108.3095 13.69413 
-45.85693      24.95202 
1 1 1 7   8  18 o 115.3239 10.56591 141.4034       24.50318  209.8875       
48.36389  117.7539       28.42080  135.6033 17.98233 103.5526 13.84309 
32.05063       22.69351 
1 1 1 7   8  19 o 43.98591 16.39202 19.38278       19.64429  30.60027       
24.32849  -1.633153      33.29980  51.89326 18.40043 42.30138 18.90934 
9.591885       26.38445 
1 1 1 7   9  0  o 22.72430 9.606503 0.2863169      7.641508  -7.202188      
9.092779  18.29149       14.09931  20.46579 9.430951 43.09328 14.02871 
-22.62749      16.90407 
1 1 1 7   9  1  o 285.6539 5.385998 830.2553       31.28656  799.7512       
43.52186  862.8773       45.00728  280.2563 7.636611 291.1087 7.602846 
-10.85239      10.77595 
1 1 1 7   9  2  o 265.1336 4.316160 715.0304       23.27093  714.6064       
40.92144  715.2330       28.29074  264.9442 7.595303 265.1459 5.246963 
-0.2017517     9.231427 
1 1 1 7   9  3  o 315.2855 7.908304 1011.950       50.70360  0.000000       
0.000000  1011.950       50.70360  ?        ?        315.2855 7.908304 
0.000000       7.908304 
1 1 1 7   9  4  o 480.5078 4.922708 2348.693       48.10120  2346.996       
55.90055  2353.532       94.41093  480.2945 5.723439 480.6810 9.658595 
-0.3864746     11.22703 
1 1 1 7   9  5  o 590.4052 6.556302 3547.494       78.71554  3589.242       
98.19784  3472.442       131.6624  593.7217 8.133314 583.6261 11.09368 
10.09564       13.75575 
1 1 1 7   9  6  f 170.3237 6.437438 295.2852       22.29665  293.5523       
29.52844  297.5838       34.00848  169.5348 8.593139 170.5796 9.845977 
-1.044815      13.06848 
1 1 1 7   9  7  o 197.3804 6.067780 396.6070       24.35483  415.7400       
31.26294  367.0691       38.84443  202.0146 7.610193 189.4143 10.12138 
12.60025       12.66323 
1 1 1 7   9  8  o 355.3523 5.738337 1285.808       41.46642  1291.933       
49.83741  1272.027       74.75138  356.0834 6.882596 352.8502 10.41783 
3.233185       12.48605 
1 1 1 7   9  9  o 164.7859 5.921943 276.6725       19.84429  319.5330       
28.69163  237.3670       27.47595  176.9407 7.973998 152.1746 8.917836 
24.76610       11.96296 
1 1 1 7   9  10 o 322.4583 4.837671 1059.106       31.72205  1019.131       
43.90884  1102.750       45.87954  316.0357 6.832261 328.7401 6.863015 
-12.70444      9.684047 
1 1 1 7   9  11 o 204.9005 6.117712 428.3643       25.49080  471.9896       
44.65976  407.2840       31.04452  214.4133 10.24267 199.6008 7.648411 
14.81245       12.78321 
1 1 1 7   9  12 o 206.3859 6.308142 434.9591       26.47481  468.6417       
46.31790  418.6145       32.26511  213.1073 10.72233 202.2339 7.845626 
10.87332       13.28617 
1 1 1 7   9  13 o 190.6403 5.936099 371.1725       23.01268  363.4778       
32.24039  379.1649       32.85809  188.2326 8.422753 192.2552 8.404516 
-4.022675      11.89868 
1 1 1 7   9  14 o 94.16338 15.07327 95.20293       27.88939  95.20293       
27.88939  0.000000       0.000000  94.16338 15.07327 ?        ?        
0.000000       15.07327 
1 1 1 7   9  15 o 46.60519 16.47309 20.59130       19.48403  49.68278       
27.95218  -6.901872      27.17348  67.03483 19.39781 38.97617 17.27242 
28.05866       25.97328 
1 1 1 7   9  16 o 66.48246 15.84522 48.82209       21.11831  61.95988       
30.23151  36.30132       29.51305  74.06723 19.72104 59.15489 20.31517 
14.91234       28.31299 
1 1 1 7   9  17 o 58.44309 16.55849 38.18177       20.57637  40.48315       
29.70490  36.05894       28.52944  60.78332 20.38536 58.10424 19.97266 
2.679077       28.53892 
1 1 1 7   9  18 f 136.2465 17.99715 212.6556       48.64280  212.6556       
48.64280  0.000000       0.000000  136.2465 17.99715 ?        ?        
0.000000       17.99715 
1 1 1 7   9  19 o 51.00551 15.53503 30.30585       17.56336  13.90826       
23.42679  51.35155       26.54022  42.64722 17.30675 64.33055 18.98425 
-21.68333      25.68902 
1 1 1 7   10 0  o 559.1655 7.352054 3183.605       83.59888  0.000000       
0.000000  3183.605       83.59888  ?        ?        559.1655 7.352054 
0.000000       7.352054 
1 1 1 7   10 1  o 687.8901 7.092646 4816.986       99.21532  4817.177       
172.7965  4816.892       121.1815  687.0721 12.36748 687.6823 8.665570 
-0.6102295     15.10121 
1 1 1 7   10 2  o 484.6141 5.541898 2389.418       54.61425  2328.099       
93.85434  2420.811       67.15495  478.0437 9.654623 487.7102 6.771186 
-9.666534      11.79240 
1 1 1 7   10 3  o 361.0374 4.996961 1325.979       36.68678  1303.597       
45.50222  1367.557       62.01735  357.9282 6.251513 366.4964 8.321318 
-8.568146      10.40797 
1 1 1 7   10 4  o 477.2049 5.698751 2316.920       55.30138  2381.454       
69.90913  2209.016       90.39780  483.7186 7.107055 465.6894 9.545750 
18.02921       11.90091 
1 1 1 7   10 5  o 582.0952 5.638632 3447.617       66.74506  3516.769       
78.81979  3272.346       125.4838  587.8270 6.593778 566.5547 10.89166 
21.27234       12.73209 
1 1 1 7   10 6  o 390.5645 5.441457 1552.243       43.21747  1531.611       
53.54795  1590.793       73.19508  387.8726 6.788947 395.0954 9.110211 
-7.222870      11.36159 
1 1 1 7   10 7  o 374.6432 5.482307 1428.614       41.76693  1447.119       
52.60734  1397.059       68.69566  376.9492 6.862969 370.1374 9.126725 
6.811859       11.41917 
1 1 1 7   10 8  f 255.2740 7.441393 664.2969       38.62890  670.2822       
52.03888  656.9512       57.65007  256.1552 9.990181 253.4452 11.18573 
2.709946       14.99747 
1 1 1 7   10 9  o 117.5081 8.606804 141.7895       20.42346  109.7936       
34.64120  158.8365       25.28543  101.6146 17.38947 124.1902 10.09974 
-22.57561      20.10966 
1 1 1 7   10 10 o 233.3180 5.111930 554.6420       24.25407  532.8471       
34.36496  576.2740       34.23626  228.4307 7.397925 237.5991 7.085820 
-9.168427      10.24393 
1 1 1 7   10 11 o 59.38015 13.61739 37.90484       16.09287  5.776374       
22.43869  71.93408       23.09291  40.67113 16.77062 82.18081 14.33998 
-41.50967      22.06555 
1 1 1 7   10 12 o 167.0676 6.078793 284.9627       20.65194  317.6920       
29.67507  254.2229       28.75898  176.0919 8.287072 157.1579 9.036878 
18.93396       12.26135 
1 1 1 7   10 13 o 100.2936 9.410026 104.3233       18.96740  141.1153       
27.59733  71.38472       26.11216  116.1878 11.84603 81.04445 16.40699 
35.14334       20.23655 
1 1 1 7   10 14 o 173.9569 9.292415 312.4880       32.75270  312.4880       
32.75270  0.000000       0.000000  173.9569 9.292415 ?        ?        
0.000000       9.292415 
1 1 1 7   10 15 o 49.81719 16.77501 25.09727       20.11565  -10.84015      
28.55166  60.51660       28.34510  38.74725 17.40142 73.65737 18.84649 
-34.91012      25.65151 
1 1 1 7   10 16 o 79.35375 13.93683 68.16135       21.66909  62.44309       
32.17496  72.90788       29.31392  74.13784 20.60152 80.66035 18.29251 
-6.522514      27.55065 
1 1 1 7   10 17 o 147.7199 11.28039 230.3303       33.62938  230.3303       
33.62938  0.000000       0.000000  147.7199 11.28039 ?        ?        
0.000000       11.28039 
1 1 1 7   10 18 o 72.36144 15.70122 59.88889       22.44035  76.73779       
41.95395  53.13668       26.55890  77.58291 24.07702 66.89476 18.76314 
10.68815       30.52472 
1 1 1 7   10 19 o 150.7974 7.960818 239.3976       24.32548  192.3455       
28.76248  357.5974       45.58741  133.2884 10.70188 180.0228 12.53090 
-46.73434      16.47888 
1 1 1 7   11 0  o 527.7468 5.797009 2834.288       62.21297  2897.923       
110.7120  2804.920       75.21080  533.1595 10.21142 524.8984 7.046176 
8.261047       12.40652 
1 1 1 7   11 1  f 264.4044 4.269023 711.1138       22.95349  705.0522       
40.96882  713.8871       27.71117  263.1542 7.655818 264.8947 5.144345 
-1.740479      9.223657 
1 1 1 7   11 2  o 234.3710 4.449335 558.7352       21.20559  618.7248       
39.71350  534.8095       25.08032  246.5231 7.921896 229.2765 5.379254 
17.24663       9.575636 
1 1 1 7   11 3  o 337.6242 4.859042 1159.551       33.36073  1242.173       
60.08107  1122.723       40.11268  349.2812 8.458844 332.1812 5.938204 
17.09991       10.33510 
1 1 1 7   11 4  o 163.0449 4.995981 270.4318       16.56454  268.2184       
20.21450  274.9558       28.90003  162.3555 6.122723 164.0891 8.691968 
-1.733582      10.63194 
1 1 1 7   11 5  o 428.5363 6.672225 1869.188       58.14464  1933.498       
85.69766  1814.329       79.14998  435.5938 9.674663 421.9991 9.223331 
13.59473       13.36671 
1 1 1 7   11 6  o 453.5948 5.743199 2093.981       52.97530  2136.039       
66.87421  2023.125       86.80078  458.0043 7.180219 445.4750 9.581839 
12.52927       11.97360 
1 1 1 7   11 7  o 131.0622 7.661668 175.6298       20.33093  162.8824       
26.69840  193.2253       31.36712  125.8744 10.52693 137.0620 11.35628 
-11.18762      15.48487 
1 1 1 7   11 8  o 216.1811 5.424355 475.8734       23.84609  499.3709       
33.85651  452.7417       33.59197  221.3048 7.523154 210.6940 7.840287 
10.61086       10.86591 
1 1 1 7   11 9  o 170.5768 5.823462 296.4991       20.20005  277.9210       
28.57866  315.0474       28.55574  164.7154 8.561620 175.6595 7.994116 
-10.94405      11.71355 
1 1 1 7   11 10 o 186.5098 6.362300 354.8696       24.13055  369.0891       
41.69577  347.7088       29.58916  189.3033 10.87705 184.4540 7.888476 
4.849289       13.43645 
1 1 1 7   11 11 o 138.6328 6.657663 196.2704       18.76892  164.4822       
25.38511  234.6028       27.87590  126.1867 9.973984 151.0100 9.120415 
-24.82327      13.51526 
1 1 1 7   11 12 o 200.2512 6.370592 409.6275       25.94217  412.3805       
45.50033  408.3015       31.57756  199.6412 11.25350 199.7003 7.775861 
-0.5903625E-01 13.67864 
1 1 1 7   11 13 o 183.7683 6.075905 345.0627       22.70561  344.8770       
32.32032  345.2435       31.90487  183.2533 8.673063 183.3751 8.555890 
-0.1218109     12.18299 
1 1 1 7   11 14 o 48.45727 18.06741 20.02635       23.87096  44.61172       
26.63078  -80.48833      53.84685  63.90213 19.05512 41.97149 20.34410 
21.93064       27.87436 
1 1 1 7   11 15 o 73.41926 14.28500 58.44902       20.55998  43.76058       
29.28168  72.73228       28.87499  63.54204 20.17201 80.96004 18.00439 
-17.41800      27.03828 
1 1 1 7   11 16 o 197.4157 9.795578 403.9081       39.32450  403.9081       
39.32450  0.000000       0.000000  197.4157 9.795578 ?        ?        
0.000000       9.795578 
1 1 1 7   11 17 o 115.2491 9.453412 139.1432       21.96021  189.7818       
33.17269  99.63897       29.29956  133.4088 12.36836 94.87454 15.73815 
38.53429       20.01663 
1 1 1 7   11 18 o 98.73726 22.75683 122.1463       44.75491  122.1463       
44.75491  0.000000       0.000000  98.73726 22.75683 ?        ?        
0.000000       22.75683 
1 1 1 7   11 19 o 57.34468 16.50193 39.57957       20.27976  28.29934       
24.60474  63.47771       35.81307  50.21780 18.41183 68.89417 22.35494 
-18.67637      28.96099 
1 1 1 7   12 0  o 519.9542 4.966867 2750.504       52.51690  2958.566       
112.9028  2693.057       59.32564  538.7279 10.30585 514.4489 5.670859 
24.27905       11.76304 
1 1 1 7   12 1  o 244.1774 4.292937 606.4687       21.31628  651.5616       
40.13126  588.7463       25.15881  252.9745 7.801078 240.5621 5.142941 
12.41243       9.343803 
1 1 1 7   12 2  o 137.0067 5.477563 190.9721       15.26092  170.5901       
28.84625  198.8940       17.98376  128.8923 11.11418 139.8053 6.325653 
-10.91298      12.78823 
1 1 1 7   12 3  f 424.3699 5.265916 1832.108       45.44331  1859.845       
80.81702  1819.283       54.95396  427.3196 9.300335 422.8267 6.391241 
4.492950       11.28469 
1 1 1 7   12 4  o 527.4676 6.062055 2831.086       65.02300  2857.651       
81.32571  2784.011       108.2606  529.8223 7.548248 522.6910 10.18530 
7.131287       12.67740 
1 1 1 7   12 5  o 660.0426 7.061172 4435.138       94.77640  4680.574       
121.9017  4060.037       150.7007  677.8195 8.843907 630.8197 11.74786 
46.99976       14.70465 
1 1 1 7   12 6  o 364.8774 4.649166 1354.579       34.49637  1303.533       
39.81563  1508.252       69.08313  357.8906 5.470814 384.6849 8.831114 
-26.79431      10.38838 
1 1 1 7   12 7  o 27.38336 12.81247 -17.75712      17.79732  -34.14574      
24.08707  1.947383       26.41166  29.36792 14.07426 42.41190 17.89066 
-13.04398      22.76314 
1 1 1 7   12 8  o 145.4193 6.063450 215.4317       17.93053  218.3597       
21.12185  207.8783       33.92474  146.3516 7.097136 141.9747 11.85901 
4.376862       13.82047 
1 1 1 7   12 9  o 169.7025 5.830043 293.5049       20.11924  245.5406       
27.72351  346.8712       29.24306  154.7337 8.847450 184.3161 7.802039 
-29.58235      11.79615 
1 1 1 7   12 10 o 168.0645 6.832411 288.3452       23.35079  299.4846       
42.44942  283.5120       27.96137  170.0795 12.35793 166.4967 8.258503 
3.582794       14.86342 
1 1 1 7   12 11 o 130.7391 7.047296 175.1779       18.66691  168.9070       
26.57739  181.2834       26.22414  127.7905 10.31524 132.5237 9.800487 
-4.733154      14.22862 
1 1 1 7   12 12 o 199.0209 6.424755 404.7057       26.00199  405.1844       
44.87368  404.4638       31.90394  197.8569 11.19888 198.7146 7.895200 
-0.8577423     13.70216 
1 1 1 7   12 13 o 162.7780 6.561937 271.0098       21.72097  262.6393       
30.55616  279.5602       30.88261  159.4666 9.465136 164.5927 9.264500 
-5.126038      13.24461 
1 1 1 7   12 14 o 82.42457 12.56399 72.26840       20.39291  69.91812       
27.34385  75.21407       30.61193  79.65208 17.37082 82.28078 18.71740 
-2.628693      25.53599 
1 1 1 7   12 15 o 94.26996 11.53030 93.70198       21.64297  89.86269       
30.91916  97.39041       30.30563  90.32765 17.46454 94.53624 16.35631 
-4.208588      23.92779 
1 1 1 7   12 16 o 146.8885 11.66991 226.9116       34.57108  226.9116       
34.57108  0.000000       0.000000  146.8885 11.66991 ?        ?        
0.000000       11.66991 
1 1 1 7   12 17 o 191.6523 9.649767 384.1225       37.48769  384.1225       
37.48769  0.000000       0.000000  191.6523 9.649767 ?        ?        
0.000000       9.649767 
1 1 1 7   12 18 o 24.55276 11.81253 -23.43127      17.34495  -35.57240      
26.11164  -13.84359      23.20393  29.60559 14.30561 32.49198 15.00538 
-2.886391      20.73190 
1 1 1 7   12 19 o 91.98692 11.97876 94.05596       21.87574  65.38947       
26.70524  152.5258       38.13950  72.53688 18.14905 112.9044 17.15118 
-40.36747      24.97100 
1 1 1 7   13 0  o 560.9525 5.243670 3201.483       59.81538  3139.206       
120.0453  3222.052       68.98962  554.9175 10.63813 562.6937 6.029208 
-7.776184      12.22788 
1 1 1 7   13 1  o 383.7938 4.217662 1498.244       32.91707  1439.884       
67.02547  1516.794       37.78811  376.0076 8.765806 386.1403 4.812365 
-10.13275      9.999910 
1 1 1 7   13 2  o 198.4442 4.008598 400.5344       16.17642  353.0778       
35.85531  412.6625       18.12598  185.9349 9.514773 201.4191 4.425368 
-15.48418      10.49356 
1 1 1 7   13 3  o 192.4386 4.307910 376.6788       16.85817  374.9958       
24.78383  378.1280       22.99827  191.9655 6.348834 192.7771 5.866623 
-0.8116455     8.644360 
1 1 1 7   13 4  o 687.0453 7.254895 4805.122       101.3603  4789.458       
124.8074  4835.467       173.7196  685.7137 8.950473 688.4305 12.40901 
-2.716797      15.30015 
1 1 1 7   13 5  o 319.5006 5.121285 1038.648       33.27378  1045.900       
42.35906  1026.964       53.76801  320.5458 6.498376 317.5162 8.327348 
3.029602       10.56284 
1 1 1 7   13 6  o 249.8335 4.702707 635.0970       23.89187  627.2158       
28.51718  653.6559       43.76058  248.2384 5.649191 253.2483 8.497380 
-5.009918      10.20386 
1 1 1 7   13 7  o 184.9915 5.252599 348.3681       19.75957  340.5680       
23.74534  365.9313       35.63121  182.8572 6.385795 189.3624 9.253061 
-6.505219      11.24267 
1 1 1 7   13 8  o 209.3879 5.919819 446.6686       25.20644  438.2465       
32.29163  459.8039       40.32728  207.2660 7.661441 212.1309 9.348536 
-4.864853      12.08689 
1 1 1 7   13 9  o 208.1870 5.287115 441.5829       22.38328  453.4182       
32.25842  430.5939       31.08372  210.7385 7.527449 205.3754 7.442747 
5.363159       10.58570 
1 1 1 7   13 10 o 200.5829 6.220142 410.5057       25.37148  483.3512       
46.85276  380.2818       30.17931  216.9337 10.62079 192.8804 7.694313 
24.05338       13.11501 
1 1 1 7   13 11 o 403.1496 5.076840 1657.082       41.62087  1616.567       
57.67591  1701.105       60.12184  397.6614 7.132299 407.8906 7.248315 
-10.22919      10.16896 
1 1 1 7   13 12 o 351.5539 5.822026 1261.861       41.62147  1236.369       
70.63574  1275.420       51.51443  346.5753 10.02249 353.0576 7.175167 
-6.482239      12.32612 
1 1 1 7   13 13 o 168.7075 6.422389 291.0997       22.03344  306.6443       
31.62019  276.4281       30.71932  172.4278 9.049521 163.6305 9.270098 
8.797363       12.95487 
1 1 1 7   13 14 o 91.26236 10.90204 87.45454       19.83209  96.25212       
27.57804  78.03228       28.54033  94.62327 14.81864 84.23516 17.24213 
10.38811       22.73506 
1 1 1 7   13 15 o 80.43182 13.44223 69.53680       21.21030  82.73304       
30.82954  57.67729       29.22640  86.28098 18.14647 71.68689 19.52169 
14.59409       26.65315 
1 1 1 7   13 16 o 230.8233 8.825624 550.9477       41.42634  550.9477       
41.42634  0.000000       0.000000  230.8233 8.825624 ?        ?        
0.000000       8.825624 
1 1 1 7   13 17 f 70.42399 14.08727 54.98717       19.46971  88.85836       
29.95940  30.22413       25.61651  88.46523 17.27340 53.63893 18.89602 
34.82629       25.60137 
1 1 1 7   13 18 o 110.5522 13.25067 134.9927       29.19546  134.9927       
29.19546  0.000000       0.000000  110.5522 13.25067 ?        ?        
0.000000       13.25067 
1 1 1 7   13 19 o 47.55384 16.65928 25.85973       19.89412  6.143487       
25.06073  59.45600       32.71352  39.70440 17.10652 66.74755 21.33536 
-27.04316      27.34649 
1 1 1 7   14 0  o 126.0740 4.000982 161.6694       10.25755  156.5742       
23.86292  162.8242       11.36068  123.5986 9.568768 126.5185 4.415692 
-2.919914      10.53848 
1 1 1 7   14 1  o 358.5055 4.134679 1307.282       30.14318  1426.428       
67.41547  1277.510       33.69944  374.2448 8.858342 354.3819 4.676271 
19.86285       10.01687 
1 1 1 7   14 2  o 826.5803 8.317516 6956.782       139.8074  7056.926       
247.3148  6909.750       169.4872  831.2739 14.63034 823.5005 10.12096 
7.773438       17.78991 
1 1 1 7   14 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 7   14 4  o 121.5198 6.448764 150.7184       15.87881  149.0799       
20.39532  153.2401       25.30162  120.6989 8.361022 122.1816 10.27886 
-1.482704      13.24997 
1 1 1 7   14 5  o 295.1510 5.331514 886.4664       31.99973  868.5159       
41.68111  912.2341       49.93896  292.0605 7.018025 299.2438 8.206594 
-7.183228      10.79819 
1 1 1 7   14 6  o 293.4943 4.626831 876.4973       27.61434  862.2250       
32.84657  910.9009       50.99694  291.0464 5.549786 298.9393 8.388990 
-7.892853      10.05859 
1 1 1 7   14 7  o 351.1071 4.627688 1254.676       33.04114  1293.774       
39.44894  1162.783       60.47789  356.4680 5.442060 337.5659 8.810219 
18.90216       10.35548 
1 1 1 7   14 8  o 156.2470 5.595504 248.6965       17.77880  293.3468       
21.54546  153.4144       31.47383  169.6549 6.245080 121.5544 12.93148 
48.10049       14.36051 
1 1 1 7   14 9  o 424.7785 5.061616 1838.254       43.72232  1898.737       
63.14587  1782.554       60.59818  431.2740 7.200128 417.8870 7.130981 
13.38702       10.13374 
1 1 1 7   14 10 o 240.7845 5.938006 591.4574       29.07506  594.5078       
51.22623  590.0078       35.31453  240.5631 10.47157 240.2972 7.226919 
0.2658386      12.72329 
1 1 1 7   14 11 o 156.7362 6.203404 250.8457       19.77201  231.7376       
27.66466  270.7974       28.26882  150.0122 9.111900 162.3123 8.595179 
-12.30011      12.52613 
1 1 1 7   14 12 o 168.3184 7.065667 289.9000       24.18445  265.2229       
43.00614  301.3130       29.24713  159.1624 13.41234 171.3766 8.392286 
-12.21414      15.82155 
1 1 1 7   14 13 o 92.84583 10.30870 90.06615       19.13478  85.09032       
26.56956  95.42767       27.58007  88.83234 15.25801 94.31280 14.87334 
-5.480461      21.30782 
1 1 1 7   14 14 o 254.4716 5.584562 661.8252       28.89880  639.8457       
40.04172  685.7200       41.74993  249.5709 7.889826 258.3434 7.947070 
-8.772491      11.19845 
1 1 1 7   14 15 f 128.4605 8.620718 170.8239       22.38926  137.5322       
32.27134  201.7192       31.08817  113.3841 14.31533 138.8653 11.10188 
-25.48121      18.11575 
1 1 1 7   14 16 o 125.5324 13.43116 168.4890       33.75433  168.4890       
33.75433  0.000000       0.000000  125.5324 13.43116 ?        ?        
0.000000       13.43116 
1 1 1 7   14 17 o 97.77074 9.854223 101.0504       19.32504  123.6671       
32.19855  88.31643       24.16045  105.5586 15.45806 89.77957 13.66470 
15.77908       20.63190 
1 1 1 7   14 18 o 131.1975 11.27158 186.1385       29.77997  186.1385       
29.77997  0.000000       0.000000  131.1975 11.27158 ?        ?        
0.000000       11.27158 
1 1 1 7   15 0  o 140.2983 3.955153 200.2048       11.28411  226.5140       
27.38903  194.8262       12.38397  148.8469 9.092284 138.3953 4.400349 
10.45164       10.10112 
1 1 1 7   15 1  o 263.1047 3.814708 704.0620       20.40992  666.7790       
43.44951  714.6179       23.11938  255.8960 8.349683 265.0590 4.289259 
-9.163025      9.386956 
1 1 1 7   15 2  o 343.6414 4.825112 1201.283       33.71820  1226.291       
61.10781  1190.336       40.43007  347.0113 8.659678 342.0344 5.812772 
4.976898       10.42969 
1 1 1 7   15 3  o 451.8317 4.728323 2076.787       43.44455  2029.773       
60.62218  2126.426       62.29156  446.5774 6.675493 457.0844 6.701645 
-10.50699      9.459084 
1 1 1 7   15 4  o 389.2292 8.662310 1543.361       68.56312  0.000000       
0.000000  1543.361       68.56312  ?        ?        389.2292 8.662310 
0.000000       8.662310 
1 1 1 7   15 5  o 109.7584 7.642560 123.3017       16.95157  124.0325       
22.19725  122.2791       26.25722  109.8217 10.05086 108.7600 12.07599 
1.061661       15.71144 
1 1 1 7   15 6  o 297.7607 5.256345 902.4402       31.82750  898.4803       
40.89621  908.5223       50.68447  297.0025 6.771293 298.5206 8.349284 
-1.518097      10.74993 
1 1 1 7   15 7  o 74.60088 10.36490 57.96526       15.29906  75.07774       
19.00478  26.45679       25.78814  84.92784 11.28358 53.82194 18.95936 
31.10590       22.06301 
1 1 1 7   15 8  o 231.8494 5.560980 547.6597       26.21855  519.2895       
32.88882  597.1244       43.42746  225.6137 7.168550 241.7220 8.834804 
-16.10822      11.37725 
1 1 1 7   15 9  o 149.8141 5.628210 228.7997       17.14646  245.3579       
20.51833  190.4681       31.21860  155.0728 6.506613 135.6774 11.42123 
19.39543       13.14460 
1 1 1 7   15 10 o 195.5144 6.315276 390.2095       25.10860  335.2310       
43.97732  416.7987       30.58336  179.8856 12.09237 201.9100 7.448623 
-22.02438      14.20238 
1 1 1 7   15 11 o 178.7545 5.736791 326.1247       20.85343  351.5486       
29.97429  302.2762       29.03076  185.2678 7.956051 171.7373 8.312703 
13.53043       11.50651 
1 1 1 7   15 12 o 95.64899 9.240620 94.92274       17.74966  101.2946       
26.02762  89.38318       24.26826  97.79560 13.44321 91.77643 13.39824 
6.019173       18.97980 
1 1 1 7   15 13 o 126.6479 8.352247 165.5293       21.38985  164.2808       
28.16548  167.2305       32.87795  125.4476 11.15734 125.9956 13.01986 
-0.5480728     17.14652 
1 1 1 7   15 14 o 103.0966 9.545294 110.6477       19.78468  87.01868       
27.59350  135.6478       28.38270  89.47251 15.74054 113.3579 12.52166 
-23.88541      20.11359 
1 1 1 7   15 15 o 105.5191 10.43916 116.6321       22.10618  97.47617       
32.27967  133.5511       30.33646  93.88387 17.55314 111.8975 13.61236 
-18.01366      22.21281 
1 1 1 7   15 16 o 72.40422 14.73162 57.86752       20.95227  68.18349       
32.47335  50.51003       27.42437  76.70229 20.44703 66.59329 19.19755 
10.10899       28.04687 
1 1 1 7   15 17 o 90.34916 10.68191 87.18229       19.24589  88.79128       
31.12333  86.18610       24.48950  87.58189 18.07456 88.31599 14.11109 
-0.7341003     22.93060 
1 1 1 7   15 18 o 96.58702 9.543671 99.80170       18.49982  102.3779       
27.63811  97.71048       24.90086  94.70900 14.83776 93.33857 13.51212 
1.370430       20.06829 
1 1 1 7   16 0  o 257.7197 4.334977 675.6041       22.71883  716.5378       
43.11258  659.8670       26.73159  265.2838 7.991750 254.6790 5.161551 
10.60481       9.513658 
1 1 1 7   16 1  o 674.5000 6.061876 4629.398       83.14583  4698.494       
170.6644  4607.893       95.20916  678.6780 12.36596 672.8481 6.958414 
5.829834       14.18931 
1 1 1 7   16 2  o 499.3911 5.728252 2537.548       58.17205  2550.127       
102.5857  2531.586       70.62476  500.2512 10.08434 498.7187 6.963858 
1.532501       12.25517 
1 1 1 7   16 3  o 552.9014 5.356755 3110.381       60.22834  3159.277       
86.28217  3063.915       84.11081  557.0359 7.617044 548.5721 7.539918 
8.463745       10.71773 
1 1 1 7   16 4  o 294.7718 6.117114 884.3900       36.66772  1032.875       
61.08965  800.7681       45.84446  318.3298 9.437106 280.3842 8.040478 
37.94556       12.39791 
1 1 1 7   16 5  o 681.6807 6.293196 4731.066       87.23760  4708.089       
100.9441  4798.861       173.3937  679.8677 7.301379 685.2287 12.44361 
-5.361023      14.42753 
1 1 1 7   16 6  o 148.9712 6.894140 226.0974       20.88497  220.7241       
28.64533  232.1949       30.51484  146.7357 9.653796 150.4687 10.03019 
-3.732986      13.92122 
1 1 1 7   16 7  o 345.2356 4.591322 1213.258       32.23330  1198.721       
37.66090  1253.071       62.32626  343.0856 5.398048 350.3240 8.748826 
-7.238342      10.28012 
1 1 1 7   16 8  o 205.8219 4.825187 431.4357       20.19561  420.9061       
23.72291  459.1586       38.49286  203.2256 5.740346 211.9111 8.932543 
-8.685440      10.61800 
1 1 1 7   16 9  o 114.9275 6.747159 135.2919       15.69957  161.2228       
18.53370  69.41632       29.54033  125.4207 7.298329 79.90423 18.53853 
45.51643       19.92343 
1 1 1 7   16 10 o 113.8433 9.187469 133.7807       21.08820  111.7979       
38.17643  143.4338       25.29814  101.4092 19.21595 117.6024 10.69534 
-16.19320      21.99188 
1 1 1 7   16 11 o 129.8953 7.230440 173.1654       19.02328  198.3372       
27.47014  149.9701       26.36957  138.5268 9.815141 120.1138 10.91504 
18.41302       14.67907 
1 1 1 7   16 12 o 211.8670 5.490490 458.3208       23.65516  432.8487       
33.20016  484.5852       33.71263  205.4251 7.947586 217.4310 7.624645 
-12.00592      11.01360 
1 1 1 7   16 13 o 205.2052 6.395564 430.9592       26.68817  412.5290       
34.30752  459.2049       42.47168  200.2909 8.423194 210.8651 9.904742 
-10.57428      13.00208 
1 1 1 7   16 14 o 51.19054 16.32562 27.61872       19.16262  28.17921       
28.08935  27.13078       26.20840  54.47360 19.71784 53.19623 19.07289 
1.277370       27.43298 
1 1 1 7   16 15 o 248.6564 8.428686 637.6600       42.61975  637.6600       
42.61975  0.000000       0.000000  248.6564 8.428686 ?        ?        
0.000000       8.428686 
1 1 1 7   16 16 f 93.28358 19.19310 99.56914       35.19387  99.56914       
35.19387  0.000000       0.000000  93.28358 19.19310 ?        ?        
0.000000       19.19310 
1 1 1 7   16 17 o 66.49400 20.74747 52.93494       31.10543  52.93494       
31.10543  0.000000       0.000000  66.49400 20.74747 ?        ?        
0.000000       20.74747 
1 1 1 7   16 18 f 127.6412 10.79102 176.4404       27.74704  176.4404       
27.74704  0.000000       0.000000  127.6412 10.79102 ?        ?        
0.000000       10.79102 
1 1 1 7   17 0  o 162.9659 3.712114 270.1122       12.30182  206.9046       
26.35211  287.7250       13.91058  142.2283 9.159967 168.1901 4.067181 
-25.96181      10.02232 
1 1 1 7   17 1  o 340.2586 4.021012 1177.588       27.82249  1067.187       
55.16612  1215.249       32.22041  323.7247 8.380022 345.6385 4.584136 
-21.91382      9.551915 
1 1 1 7   17 2  o 105.7818 6.464175 114.3087       13.83841  127.3855       
26.66638  109.4892       16.18893  111.1066 11.99264 103.4092 7.754999 
7.697342       14.28158 
1 1 1 7   17 3  o 278.4410 4.284064 788.6669       24.25720  798.4234       
34.53591  779.1673       34.07838  280.0915 6.063447 276.6936 6.056593 
3.397888       8.570164 
1 1 1 7   17 4  o 64.15858 14.04296 43.73348       17.81317  135.7625       
35.71081  13.25012       20.55269  114.0596 15.82247 43.53140 16.64501 
70.52823       22.96534 
1 1 1 7   17 5  o 182.7420 5.134192 339.8733       19.07928  349.1781       
24.03653  324.0262       31.36858  185.1779 6.383094 178.2727 8.652840 
6.905167       10.75247 
1 1 1 7   17 6  f 176.2621 6.189046 316.4545       22.18370  347.2810       
30.38638  281.2744       32.46129  184.5311 8.097633 165.6845 9.676651 
18.84660       12.61781 
1 1 1 7   17 7  o 479.2383 5.098379 2338.835       49.68612  2388.660       
58.76238  2213.870       93.06129  484.1768 5.968208 465.2769 9.835720 
18.89987       11.50482 
1 1 1 7   17 8  o 102.3282 7.168969 107.4001       14.82353  114.2120       
17.48202  89.97173       27.96324  105.3997 8.221460 92.04334 15.48985 
13.35635       17.53647 
1 1 1 7   17 9  o 94.44878 8.861487 92.15039       16.82080  92.15039       
16.82080  0.000000       0.000000  94.44878 8.861487 ?        ?        
0.000000       8.861487 
1 1 1 7   17 10 o 183.5419 5.596997 343.7095       20.89016  322.5705       
25.18340  390.3463       37.40568  177.6395 6.971455 194.9804 9.433986 
-17.34091      11.73036 
1 1 1 7   17 11 f 35.06082 14.42712 4.458232       16.56296  -15.33723      
23.38017  24.40137       23.46721  33.30734 15.26469 50.96571 18.07176 
-17.65837      23.65585 
1 1 1 7   17 12 o 167.5165 6.263811 286.9593       21.33771  271.6539       
29.55782  303.6158       30.83482  162.2577 8.993271 171.5984 8.866718 
-9.340759      12.62924 
1 1 1 7   17 13 o 157.7861 7.338574 255.4132       23.54680  231.9013       
30.53957  289.8812       36.97656  149.4290 10.10973 166.8481 10.95912 
-17.41917      14.91002 
1 1 1 7   17 14 o 99.86188 10.39038 104.4419       20.79103  92.25136       
30.82810  114.6128       28.15880  91.52412 17.19515 103.6023 13.70195 
-12.07816      21.98674 
1 1 1 7   17 15 o 89.56562 11.88001 85.31912       21.10369  94.10378       
30.71945  77.46795       29.04145  92.19657 17.01176 83.19589 17.70924 
9.000679       24.55641 
1 1 1 7   17 16 o 176.6036 7.709723 322.2729       27.68789  303.4828       
48.84876  331.1671       33.60793  167.5100 14.48288 178.1481 9.309359 
-10.63809      17.21679 
1 1 1 7   17 17 o 36.06726 15.29012 3.776191       19.44589  -19.73792      
40.59047  10.78059       22.15365  42.63441 19.74439 41.20021 16.78792 
1.434200       25.91669 
1 1 1 7   17 18 o 49.09167 15.68585 28.04930       17.68377  89.01781       
27.29616  -16.04735      23.21408  86.83890 16.04853 31.37227 14.66422 
55.46662       21.73924 
1 1 1 7   18 0  o 313.5793 3.831431 1000.133       24.43204  973.1390       
51.18008  1008.100       27.80475  309.1416 8.141269 314.8112 4.343277 
-5.669617      9.227367 
1 1 1 7   18 1  o 273.9419 3.784389 763.2749       21.08170  705.3920       
43.73654  780.7936       24.06140  263.1917 8.171857 277.0554 4.270737 
-13.86365      9.220545 
1 1 1 7   18 2  o 448.1641 5.290433 2043.600       48.21473  2256.418       
93.45786  1966.416       56.28288  470.5302 9.767353 439.5560 6.296667 
30.97424       11.62107 
1 1 1 7   18 3  o 145.1882 8.467950 215.4913       24.89272  0.000000       
0.000000  215.4913       24.89272  ?        ?        145.1882 8.467950 
0.000000       8.467950 
1 1 1 7   18 4  o 434.9186 9.097729 1928.533       80.46230  0.000000       
0.000000  1928.533       80.46230  ?        ?        434.9186 9.097729 
0.000000       9.097729 
1 1 1 7   18 5  o 136.7133 5.966767 190.3123       16.58827  201.2527       
21.33645  173.5944       26.37539  140.3302 7.504051 130.0149 10.05410 
10.31538       12.54574 
1 1 1 7   18 6  o 425.2641 4.845978 1841.037       41.90748  1836.214       
49.13173  1853.914       80.28660  424.6098 5.690109 426.0673 9.266452 
-1.457428      10.87403 
1 1 1 7   18 7  o 47.93089 13.89236 24.14278       14.32666  47.24004       
17.59769  -21.25586      24.67159  66.60336 13.45608 32.99423 15.31980 
33.60912       20.39025 
1 1 1 7   18 8  o 209.5721 4.731294 447.3889       20.16345  438.5460       
23.65500  470.8881       38.56116  207.4136 5.608340 214.5164 8.839714 
-7.102768      10.46872 
1 1 1 7   18 9  o 116.4455 7.578765 139.2335       17.84845  139.2335       
17.84845  0.000000       0.000000  116.4455 7.578765 ?        ?        
0.000000       7.578765 
1 1 1 7   18 10 o 105.2440 7.083772 113.7811       15.07227  112.7833       
17.94019  116.1751       27.78965  104.5422 8.512794 105.0314 13.30968 
-0.4892044     15.79921 
1 1 1 7   18 11 o 279.4149 5.782857 797.3562       32.85818  795.3802       
54.95130  798.4559       40.99419  277.9443 9.722296 279.2618 7.218704 
-1.317566      12.10920 
1 1 1 7   18 12 o 84.70055 10.57521 75.28257       17.81801  69.29477       
25.64735  80.86878       24.77237  79.59921 16.39059 86.71414 14.56475 
-7.114929      21.92677 
1 1 1 7   18 13 o 136.4890 8.019519 192.1727       22.16078  251.9360       
30.04279  120.8436       32.82138  155.9085 9.521512 105.7635 15.74026 
50.14495       18.39606 
1 1 1 7   18 14 o 39.45100 15.77244 9.239707       19.14438  4.581884       
27.53984  13.59533       26.63148  43.19537 18.24752 46.44381 18.59045 
-3.248440      26.04951 
1 1 1 7   18 15 o 49.14281 16.81621 24.63433       20.21777  36.71518       
29.76396  14.28476       27.54883  59.02547 20.39386 47.00385 18.87490 
12.02163       27.78797 
1 1 1 7   18 16 o 75.47131 24.74339 69.16876       43.83251  69.16876       
43.83251  0.000000       0.000000  75.47131 24.74339 ?        ?        
0.000000       24.74339 
1 1 1 7   18 17 o 77.12714 13.21400 66.23106       19.97932  75.50449       
41.37872  63.41183       22.81504  76.20145 23.95469 74.23127 15.60923 
1.970177       28.59152 
1 1 1 7   18 18 o 23.46317 11.31927 -21.95078      16.18681  26.81057       
24.02904  -62.46069      21.90177  48.96608 18.15276 21.62387 10.88855 
27.34221       21.16798 
1 1 1 7   19 0  o 620.2245 5.659259 3914.190       71.37727  3661.677       
137.7214  4006.926       83.46118  599.2203 11.30221 627.4505 6.541143 
-28.23016      13.05858 
1 1 1 7   19 1  o 95.27805 5.282434 92.64813       10.19471  133.8792       
25.92806  85.10812       11.08775  114.0114 11.33352 91.25237 6.008756 
22.75900       12.82785 
1 1 1 7   19 2  f 356.4566 5.012167 1292.795       36.33152  1323.674       
65.25845  1278.926       43.73648  360.4248 8.903703 354.4834 6.067315 
5.941406       10.77442 
1 1 1 7   19 3  o 457.6600 5.491028 2131.633       51.10319  2114.992       
63.26966  2162.863       86.67617  455.7542 6.826741 460.6055 9.253780 
-4.851288      11.49943 
1 1 1 7   19 4  o 126.7778 9.596238 164.9007       24.55647  0.000000       
0.000000  164.9007       24.55647  ?        ?        126.7778 9.596238 
0.000000       9.596238 
1 1 1 7   19 5  o 265.4707 8.020292 718.6348       43.29705  0.000000       
0.000000  718.6348       43.29705  ?        ?        265.4707 8.020292 
0.000000       8.020292 
1 1 1 7   19 6  o 302.3136 4.488267 930.3248       27.59229  979.8868       
33.74527  830.3450       47.92860  310.1870 5.349803 285.2173 8.263565 
24.96973       9.844131 
1 1 1 7   19 7  o 384.8939 4.666182 1508.639       36.52197  1530.910       
43.14049  1452.295       68.61706  387.6103 5.473162 376.8463 8.953987 
10.76407       10.49426 
1 1 1 7   19 8  o 180.7524 4.947130 332.9144       18.18398  327.1893       
21.43228  347.6249       34.35518  179.1110 5.884300 184.2167 9.170898 
-5.105698      10.89635 
1 1 1 7   19 9  o 288.6715 5.267264 849.7841       30.92007  849.7841       
30.92007  0.000000       0.000000  288.6715 5.267264 ?        ?        
0.000000       5.267264 
1 1 1 7   19 10 o 151.1180 6.845507 233.5329       21.03648  208.5708       
27.67799  267.6758       32.37019  142.0997 9.635277 160.9836 9.936661 
-18.88391      13.84109 
1 1 1 7   19 11 o 170.9419 5.674227 298.4559       19.72453  299.6420       
25.95646  296.8350       30.34401  170.9999 7.464455 169.7141 8.822748 
1.285812       11.55677 
1 1 1 7   19 12 o 263.2469 5.162578 707.6478       27.63638  738.3931       
39.01715  676.6916       39.15068  268.3763 7.149241 256.8139 7.496688 
11.56244       10.35915 
1 1 1 7   19 13 f 65.07465 14.36795 46.28699       18.50501  47.21781       
27.00845  45.46339       25.40516  65.23200 19.12285 64.05653 18.48049 
1.175468       26.59346 
1 1 1 7   19 14 o 81.44003 12.52653 70.98725       20.08063  61.49416       
29.81644  78.86706       27.16499  73.68048 19.56958 84.59119 16.38373 
-10.91071      25.52244 
1 1 1 7   19 15 o 90.51370 11.72302 87.30064       21.07080  76.75639       
30.42847  97.01486       29.20631  82.12492 18.64609 93.83652 15.87168 
-11.71159      24.48646 
1 1 1 7   19 16 o 44.57059 17.04563 17.14474       21.55651  -12.48481      
38.95936  30.21825       25.87888  44.00234 19.98863 53.53078 18.97804 
-9.528442      27.56286 
1 1 1 7   19 17 o 52.87448 16.36125 32.38022       19.38913  20.57158       
38.81673  36.30605       22.38126  52.15366 21.82672 55.60599 17.63393 
-3.452332      28.05996 
1 1 1 7   19 18 o 70.30599 13.03485 56.73960       17.94965  81.60911       
25.58683  32.64095       25.18717  82.60983 15.80706 52.07296 18.69470 
30.53686       24.48173 
1 1 1 7   20 0  o 152.3423 3.807319 236.0578       11.79482  237.5673       
29.09541  235.7609       12.90255  152.3976 9.434869 152.2410 4.167660 
0.1565552      10.31437 
1 1 1 7   20 1  o 240.3540 4.512048 587.7059       22.05345  541.8196       
39.46385  608.5426       26.59334  230.6251 8.414754 244.5508 5.347519 
-13.92567      9.970158 
1 1 1 7   20 2  o 113.9482 6.597093 132.6317       15.22122  198.6366       
30.70587  111.1284       17.52612  139.0971 10.94393 104.1036 8.349072 
34.99356       13.76505 
1 1 1 7   20 3  o 161.0884 5.365538 264.1057       17.57636  290.2149       
23.78016  232.6682       26.09413  168.8079 6.927406 150.8435 8.541848 
17.96440       10.99782 
1 1 1 7   20 4  o 330.5902 5.217427 1112.455       35.07501  1095.020       
45.66403  1137.543       54.77752  327.8582 6.849152 334.0406 8.064022 
-6.182373      10.58014 
1 1 1 7   20 5  o 187.1950 5.688747 356.8760       21.65520  372.1314       
29.85877  339.9474       31.45358  191.0258 7.686498 182.5201 8.474380 
8.505615       11.44104 
1 1 1 7   20 6  o 210.4354 4.746523 450.8983       20.31168  459.0527       
24.80842  434.3171       35.37621  212.2593 5.747527 206.2129 8.436143 
6.046326       10.20797 
1 1 1 7   20 7  o 228.5889 4.596046 532.1776       21.36441  542.4284       
25.56068  508.4160       38.91612  230.7020 5.448406 222.9655 8.583024 
7.736481       10.16629 
1 1 1 7   20 8  o 191.2754 5.822589 373.2090       22.64783  371.1644       
29.59373  376.0992       35.18473  190.5279 7.638177 191.5778 9.031450 
-1.049927      11.82831 
1 1 1 7   20 9  o 233.3492 5.422320 555.4980       25.73018  555.4980       
25.73018  0.000000       0.000000  233.3492 5.422320 ?        ?        
0.000000       5.422320 
1 1 1 7   20 10 f 127.1886 6.206238 165.3063       16.05197  158.8207       
18.86205  182.3390       30.56734  124.3056 7.496934 132.3149 11.47410 
-8.009285      13.70617 
1 1 1 7   20 11 o 313.6497 5.293526 1004.426       33.76303  1046.923       
42.01589  926.9631       56.72552  319.8919 6.458905 300.0169 9.297823 
19.87500       11.32108 
1 1 1 7   20 12 o 108.6081 8.785613 122.2731       19.23755  125.8450       
27.20397  118.7001       27.20802  109.1602 12.47935 105.8400 12.90887 
3.320152       17.95476 
1 1 1 7   20 13 o 32.74661 14.18280 -1.311658      17.40886  9.202663       
25.46023  -10.54391      23.85754  43.75560 17.93225 34.96330 15.78543 
8.792301       23.89028 
1 1 1 7   20 14 o 138.6208 8.030898 198.6513       22.54131  201.7374       
32.03183  195.6236       31.72681  138.5263 11.47429 136.3693 11.54935 
2.156998       16.28026 
1 1 1 7   20 15 o 107.8861 9.625378 122.0299       20.89534  134.2671       
30.88040  111.6950       28.37878  111.4550 13.92898 101.4321 14.14316 
10.02294       19.85058 
1 1 1 7   20 16 o 80.98869 13.79027 72.57539       21.89780  44.62754       
42.03929  82.98190       25.65273  63.61818 23.92609 86.01373 15.22315 
-22.39555      28.35846 
1 1 1 7   20 17 o 31.50151 14.17672 -5.545467      19.06283  9.341710       
38.52829  -10.37124      21.93598  48.02890 20.94802 32.23068 14.77658 
15.79821       25.63527 
1 1 1 7   20 18 o 40.14711 15.86137 14.69186       19.14606  18.77295       
23.29916  6.205272       33.59840  43.95444 17.45550 43.38636 19.21747 
0.5680771      25.96162 
1 1 1 7   21 0  o 318.0381 3.861334 1028.856       24.97284  1061.467       
54.29390  1020.106       28.12442  322.8056 8.271011 316.6649 4.367493 
6.140656       9.353322 
1 1 1 7   21 1  o 175.5579 3.925749 313.5163       14.01504  290.9798       
32.12331  318.8145       15.57561  168.6882 9.401866 177.0265 4.326687 
-8.338272      10.34965 
1 1 1 7   21 2  o 444.8543 6.575587 2015.015       59.48449  1934.306       
84.93767  2092.702       83.33284  435.5035 9.590854 453.0601 9.045009 
-17.55655      13.18320 
1 1 1 7   21 3  o 393.3260 5.263469 1574.662       42.09943  1558.883       
50.59480  1610.176       75.90401  391.2551 6.359081 397.2767 9.395507 
-6.021576      11.34520 
1 1 1 7   21 4  o 121.9801 6.303708 151.9641       15.58296  152.5811       
20.15806  151.0480       24.56488  122.0437 8.169533 121.1926 10.05843 
0.8511047      12.95813 
1 1 1 7   21 5  o 290.1720 5.123733 857.3908       30.23385  895.6673       
40.08122  806.8607       46.05215  296.4276 6.649221 281.1842 8.053925 
15.24344       10.44403 
1 1 1 7   21 6  o 191.1926 5.601418 372.4973       21.77812  403.1589       
29.83275  337.5148       31.86547  198.7444 7.381539 181.7190 8.623203 
17.02541       11.35107 
1 1 1 7   21 7  o 83.45229 8.204899 71.89761       13.74397  71.45708       
16.48607  72.90151       24.88674  82.89369 9.980719 82.57536 15.38673 
0.3183289      18.34029 
1 1 1 7   21 8  o 260.9052 4.508826 693.5919       23.92201  689.6569       
28.06273  704.0532       45.75642  260.0585 5.306491 262.1411 8.583522 
-2.082581      10.09137 
1 1 1 7   21 9  o 248.9293 7.014839 633.8113       35.50954  633.8113       
35.50954  0.000000       0.000000  248.9293 7.014839 ?        ?        
0.000000       7.014839 
1 1 1 7   21 10 o 62.01869 11.78143 41.11044       14.31512  39.44867       
17.28950  44.73299       25.52722  60.27428 14.31811 64.03994 18.53908 
-3.765656      23.42447 
1 1 1 7   21 11 o 196.1242 5.619111 393.0450       22.41043  397.9416       
27.56354  383.4956       38.49271  197.0990 6.877002 192.4948 9.866659 
4.604187       12.02681 
1 1 1 7   21 12 o 205.8339 6.235517 433.7923       26.10002  454.8409       
34.11911  404.0999       40.52366  210.3038 7.978091 197.2982 10.13451 
13.00565       12.89799 
1 1 1 7   21 13 o 181.8050 6.405353 338.8029       23.68101  315.5345       
33.78130  361.2856       33.20612  174.3416 9.565022 187.0957 8.727763 
-12.75404      12.94849 
1 1 1 7   21 14 o 196.1480 6.530550 394.8879       26.04864  408.7466       
37.51486  381.9857       36.19715  198.6115 9.288539 192.0069 9.270566 
6.604691       13.12327 
1 1 1 7   21 15 o 60.92842 16.22534 41.90019       20.46173  18.96005       
29.40352  63.44080       28.49249  49.57983 19.63461 74.07514 18.86409 
-24.49531      27.22815 
1 1 1 7   21 16 o 62.79583 15.78785 45.35737       20.13926  43.22770       
40.54521  46.05490       23.20415  62.26226 23.48044 62.74681 17.51643 
-0.4845581     29.29431 
1 1 1 7   21 17 o 64.95950 13.32528 48.22710       17.01188  62.69615       
25.96276  37.34114       22.51977  71.47542 17.90134 55.63186 17.69334 
15.84356       25.16967 
1 1 1 7   21 18 o 31.88744 14.23303 -2.043140      18.79139  -4.836808      
22.72758  3.993133       33.40799  33.73917 15.30354 42.29233 18.92017 
-8.553158      24.33457 
1 1 1 7   22 0  o 73.10260 5.634855 54.71061       8.311982  78.88848       
24.66817  51.61395       8.828241  86.65913 14.51123 70.93877 6.181607 
15.72036       15.77302 
1 1 1 7   22 1  o 90.77652 5.487213 84.17467       10.08163  91.76875       
25.92164  82.82123       10.94320  93.68423 14.03884 89.99857 6.014022 
3.685661       15.27277 
1 1 1 7   22 2  o 337.0207 5.846154 1156.337       40.06620  1040.403       
57.11853  1268.639       56.21658  319.4247 8.793406 352.8292 7.835170 
-33.40454      11.77769 
1 1 1 7   22 3  o 293.0808 4.930321 874.2796       29.38421  881.6260       
35.38665  857.9644       52.73508  294.2421 5.914027 289.9864 8.942739 
4.255646       10.72139 
1 1 1 7   22 4  o 102.4571 7.050943 107.5132       14.60120  109.1909       
19.26318  105.2477       22.38513  102.9844 9.298542 100.8208 11.10240 
2.163658       14.48193 
1 1 1 7   22 5  f 174.1508 5.026252 308.8669       17.80005  303.9099       
22.12952  317.9520       29.95908  172.6683 6.302431 176.4441 8.349679 
-3.775833      10.46125 
1 1 1 7   22 6  o 81.92002 8.410269 69.32265       13.81163  87.63071       
17.40598  38.19750       22.69516  92.04332 9.432625 59.97427 17.51465 
32.06905       19.89315 
1 1 1 7   22 7  o 199.4057 4.689574 405.1376       19.01614  433.4825       
23.07616  345.1601       33.56761  206.1823 5.503778 183.5431 8.993545 
22.63914       10.54397 
1 1 1 7   22 8  o 188.9948 5.754626 364.5322       22.11660  344.5689       
28.97773  392.3869       34.22934  183.4673 7.767015 195.6346 8.604019 
-12.16730      11.59119 
1 1 1 7   22 9  o 129.1658 7.330683 171.3544       19.17565  171.3544       
19.17565  0.000000       0.000000  129.1658 7.330683 ?        ?        
0.000000       7.330683 
1 1 1 7   22 10 o 258.3047 4.620797 680.5286       24.27173  666.4844       
28.23718  720.2634       47.49625  255.4723 5.435331 264.6453 8.825590 
-9.172958      10.36503 
1 1 1 7   22 11 o 101.3615 7.556856 106.0322       15.46441  100.6127       
18.19913  120.1106       29.33242  98.36654 9.205158 106.1599 13.92307 
-7.793404      16.69092 
1 1 1 7   22 12 o 97.30402 10.36811 99.26453       20.19950  89.91948       
26.77175  111.6159       30.77826  91.08290 14.97455 101.5333 15.38915 
-10.45036      21.47238 
1 1 1 7   22 13 o 26.98575 12.72811 -19.13209      18.18856  -32.26915      
26.11333  -6.753099      25.34871  30.98751 14.79722 37.34625 16.60981 
-6.358736      22.24507 
1 1 1 7   22 14 o 87.97954 12.14321 82.79219       21.14627  71.12489       
30.96645  92.98690       28.94634  78.74332 19.45247 91.75023 16.10170 
-13.00691      25.25200 
1 1 1 7   22 15 o 92.18481 11.14134 90.74016       20.46192  85.90259       
29.92652  94.98720       28.04052  86.76677 17.56365 92.42371 15.46586 
-5.656937      23.40245 
1 1 1 7   22 16 o 76.05845 13.70785 64.78913       20.42168  52.16509       
40.25564  69.16380       23.69738  65.45300 23.61825 77.68973 15.54254 
-12.23672      28.27353 
1 1 1 7   22 17 o 110.3228 8.394482 129.3886       18.69131  118.0167       
27.76173  138.8178       25.27932  101.7370 13.77294 112.4377 11.20536 
-10.70071      17.75540 
1 1 1 7   23 0  o 171.3499 3.661644 298.6657       12.75884  306.7398       
30.98351  297.0169       14.00107  173.2393 8.824161 170.8681 4.029476 
2.371124       9.700644 
1 1 1 7   23 1  o 205.3018 8.983050 429.8364       37.50317  429.8364       
37.50317  0.000000       0.000000  205.3018 8.983050 ?        ?        
0.000000       8.983050 
1 1 1 7   23 2  o 513.0676 7.102111 2682.178       74.09920  2687.557       
107.8879  2677.375       101.9483  512.9760 10.34247 512.1223 9.789376 
0.8536987      14.24074 
1 1 1 7   23 3  o 366.5123 8.975842 1371.217       66.89832  0.000000       
0.000000  1371.217       66.89832  ?        ?        366.5123 8.975842 
0.000000       8.975842 
1 1 1 7   23 4  o 96.70176 8.198952 96.13486       15.97109  106.5802       
23.37139  86.98357       21.87578  101.3443 11.54668 91.32744 12.07518 
10.01690       16.70736 
1 1 1 7   23 5  o 164.8595 5.064689 276.8534       16.97924  273.9715       
21.03749  282.2386       28.75777  163.9157 6.311343 165.9557 8.550476 
-2.039932      10.62750 
1 1 1 7   23 6  o 96.78191 7.044338 96.15101       13.76878  89.37063       
17.11835  108.5755       23.17255  92.97038 9.174155 102.1568 11.34631 
-9.186409      14.59122 
1 1 1 7   23 7  o 73.67939 8.780842 56.40791       12.89715  68.14330       
15.75346  32.55473       22.45951  80.89425 9.774714 55.92299 17.65732 
24.97126       20.18232 
1 1 1 7   23 8  o 158.1702 5.209473 255.2126       16.75598  270.2461       
20.28100  222.8830       29.74131  162.6590 6.131405 146.8332 10.02043 
15.82576       11.74747 
1 1 1 7   23 9  o 149.3412 6.648282 228.1543       20.19020  228.1543       
20.19020  0.000000       0.000000  149.3412 6.648282 ?        ?        
0.000000       6.648282 
1 1 1 7   23 10 o 29.50534 12.67795 -0.5232791     13.69346  -8.873558      
16.49551  17.98662       24.55937  28.75894 13.04191 47.69212 18.20493 
-18.93318      22.39443 
1 1 1 7   23 11 o 184.0930 5.188225 346.2437       19.42261  353.0364       
22.95182  329.1091       36.45303  185.7246 6.077101 178.0195 10.11137 
7.705032       11.79707 
1 1 1 7   23 12 o 160.4944 11.29387 269.7976       36.62493  0.000000       
0.000000  269.7976       36.62493  ?        ?        160.4944 11.29387 
0.000000       11.29387 
1 1 1 7   23 13 o 66.48528 12.56789 47.86901       16.36922  56.12145       
19.33404  26.97934       30.76078  71.75649 13.75036 54.45947 20.46942 
17.29702       24.65907 
1 1 1 7   23 14 o 79.76598 13.01933 68.97122       20.38960  85.79654       
29.42426  53.42879       28.28026  87.40646 17.16684 68.21977 19.44161 
19.18669       25.93601 
1 1 1 7   23 15 f 53.17776 16.52503 31.65021       19.75555  34.75436       
29.38730  29.09070       26.68493  56.73485 20.21186 53.03072 19.21506 
3.704136       27.88795 
1 1 1 7   23 16 o 44.78772 16.59688 20.04661       20.08237  20.48723       
40.80965  19.90581       23.06888  52.80106 22.25407 45.87231 17.61207 
6.928753       28.38008 
1 1 1 7   23 17 o 82.88527 16.04881 82.67108       26.07285  82.67108       
26.07285  0.000000       0.000000  82.88527 16.04881 ?        ?        
0.000000       16.04881 
1 1 1 7   24 0  o 274.9520 3.750493 769.0735       20.96991  829.8813       
49.13673  755.5323       23.18752  285.3017 8.469357 272.5028 4.184388 
12.79892       9.446646 
1 1 1 7   24 1  f 631.4551 6.621051 4061.693       85.01995  4215.557       
156.6981  3997.500       101.2131  641.9538 12.00352 626.1910 7.948375 
15.76276       14.39657 
1 1 1 7   24 2  o 421.6108 4.546856 1809.146       38.98293  1816.206       
55.66310  1802.350       54.61229  422.2176 6.483054 420.6166 6.384877 
1.601044       9.099266 
1 1 1 7   24 3  o 125.3522 6.784681 160.6448       17.23032  174.8773       
20.58982  127.3889       31.47363  130.6944 7.782425 110.4010 14.35906 
20.29343       16.33244 
1 1 1 7   24 4  o 411.5013 5.432072 1725.139       45.45568  1692.233       
57.02024  1782.510       75.29076  407.3138 6.884121 417.6010 8.866021 
-10.28723      11.22486 
1 1 1 7   24 5  f 28.39751 12.07106 0.2032569      12.17459  -7.284641      
15.65231  11.67182       19.37104  28.67699 12.88117 41.52604 16.08566 
-12.84904      20.60760 
1 1 1 7   24 6  o 202.3211 4.606809 417.0565       18.95365  425.8448       
23.17121  399.2862       32.94894  204.3443 5.576154 197.5249 8.202916 
6.819382       9.918736 
1 1 1 7   24 7  o 91.04370 7.363045 85.34340       13.51528  83.00900       
16.53922  90.03520       23.44758  89.46175 9.223598 92.41003 12.82309 
-2.948273      15.79577 
1 1 1 7   24 8  o 124.5459 6.064983 158.4798       15.36068  156.7163       
18.49781  162.3971       27.56960  123.4896 7.400231 124.9411 10.96188 
-1.451569      13.22597 
1 1 1 7   24 9  o 171.5362 6.872429 301.2733       23.97272  301.2733       
23.97272  0.000000       0.000000  171.5362 6.872429 ?        ?        
0.000000       6.872429 
1 1 1 7   24 10 o 47.92477 14.36282 24.49154       15.10196  31.18937       
18.39511  10.64365       26.45008  53.72278 15.79106 45.17939 18.36909 
8.543388       24.22356 
1 1 1 7   24 11 o 75.86894 10.02709 60.61569       15.09095  61.45878       
18.10224  58.69479       27.32425  75.82033 12.15111 72.30843 18.50544 
3.511902       22.13822 
1 1 1 7   24 12 o 110.0718 7.654910 125.2878       17.02774  126.8049       
20.33596  121.7290       31.14581  110.3491 9.144838 106.1056 14.84092 
4.243500       17.43218 
1 1 1 7   24 13 o 52.64014 14.52878 30.48398       16.06152  44.23716       
19.54951  1.920179       28.17360  63.07142 15.38054 42.31709 18.18404 
20.75433       23.81639 
1 1 1 7   24 14 o 134.6002 8.255027 188.3147       22.48606  179.5775       
32.85057  196.0173       30.84433  129.5602 12.62924 136.0902 11.24620 
-6.529938      16.91079 
1 1 1 7   24 15 o 46.73927 17.91570 19.71483       23.84702  25.81816       
29.12099  7.290184       41.54941  51.84033 19.81524 50.19055 21.82431 
1.649776       29.47786 
1 1 1 7   24 16 o 45.63114 16.55950 22.03494       19.82989  1.707834       
46.30648  26.59966       21.94375  48.99418 22.06787 48.99430 17.46434 
-0.1182556E-03 28.14239 
1 1 1 7   24 17 o 46.73655 15.46132 25.93327       17.10057  21.85691       
25.44666  29.29018       23.09214  45.97758 18.24749 49.41218 17.87924 
-3.434601      25.54679 
1 1 1 7   25 0  o 169.5835 9.410203 294.4286       32.32404  294.4286       
32.32404  0.000000       0.000000  169.5835 9.410203 ?        ?        
0.000000       9.410203 
1 1 1 7   25 1  o 348.5853 4.585762 1236.743       32.50663  1290.535       
63.79519  1217.878       37.77895  355.5999 8.822159 345.8514 5.371665 
9.748474       10.32886 
1 1 1 7   25 2  f 321.1671 5.757883 1050.692       37.60497  0.000000       
0.000000  1050.692       37.60497  ?        ?        321.1671 5.757883 
0.000000       5.757883 
1 1 1 7   25 3  o 165.7964 10.39660 282.5260       34.87505  0.000000       
0.000000  282.5260       34.87505  ?        ?        165.7964 10.39660 
0.000000       10.39660 
1 1 1 7   25 4  o 38.54774 13.21852 14.02742       12.49282  13.85820       
16.53374  14.25258       19.07191  40.96015 15.08152 42.86790 16.11671 
-1.907753      22.07262 
1 1 1 7   25 5  o 129.9381 5.709683 172.1806       15.08690  166.1233       
19.06641  182.3249       24.67390  127.2922 7.397630 133.0910 9.172706 
-5.798782      11.78403 
1 1 1 7   25 6  f 75.48322 8.562000 59.11888       12.90998  55.30600       
16.31228  65.51060       21.12015  72.39553 11.46204 78.39645 13.74932 
-6.000916      17.90034 
1 1 1 7   25 7  o 281.3412 4.423861 806.7617       25.30965  795.9363       
29.84135  834.5077       47.77465  279.3080 5.253924 285.2846 8.235079 
-5.976624      9.768328 
1 1 1 7   25 8  o 125.5467 5.920162 161.0577       15.11438  148.1091       
18.09518  190.9397       27.48880  119.9957 7.452430 135.7187 10.03120 
-15.72295      12.49655 
1 1 1 7   25 9  o 191.3801 5.851691 374.4322       22.77349  374.4322       
22.77349  0.000000       0.000000  191.3801 5.851691 ?        ?        
0.000000       5.851691 
1 1 1 7   25 10 o 71.61990 11.10767 54.47567       15.65344  43.32313       
19.37548  75.43536       26.56183  62.76333 15.31592 82.88786 16.33939 
-20.12452      22.39538 
1 1 1 7   25 11 o 72.98763 10.96046 56.61575       15.76525  56.41199       
19.05678  57.05757       28.06236  72.10977 13.49177 71.07416 19.03502 
1.035614       23.33152 
1 1 1 7   25 12 o 23.50279 11.23741 -19.86485      15.16040  -33.31786      
18.02275  12.68885       28.03571  23.29429 11.39604 46.58644 18.92310 
-23.29215      22.08967 
1 1 1 7   25 13 o 171.9896 6.053292 303.4758       21.17119  294.3732       
24.80534  327.8944       40.62757  169.0732 7.214713 176.4561 11.38297 
-7.382935      13.47679 
1 1 1 7   25 14 o 119.3083 7.897148 148.0375       19.05150  163.4554       
22.58510  110.0021       35.47358  125.0070 8.943645 97.93048 18.49073 
27.07656       20.54010 
1 1 1 7   25 15 o 33.50435 15.18722 -8.500032      22.33947  6.606870       
28.39496  -33.03973      36.18996  43.00504 18.36115 37.20747 17.66876 
5.797573       25.48170 
1 1 1 7   25 16 o 46.63587 17.55335 22.91177       22.63610  0.000000       
0.000000  22.91177       22.63610  ?        ?        46.63587 17.55335 
0.000000       17.55335 
1 1 1 7   25 17 o 62.20066 13.71259 46.07223       16.87783  20.36165       
24.73804  68.46212       23.08530  44.61516 17.89654 74.62202 15.70986 
-30.00687      23.81357 
1 1 1 7   26 0  o 414.6440 4.925736 1750.248       41.53344  1805.208       
79.97395  1729.950       48.60159  420.4393 9.353925 412.1361 5.799071 
8.303192       11.00569 
1 1 1 7   26 1  o 159.2597 4.013823 258.1209       12.99917  304.5703       
32.54791  249.3057       14.17911  172.4093 9.318079 156.5003 4.455356 
15.90903       10.32845 
1 1 1 7   26 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 7   26 3  o 192.5793 4.871185 377.7501       19.07637  401.9967       
33.54081  366.1567       23.19288  198.3303 8.316356 189.5134 6.018153 
8.816879       10.26547 
1 1 1 7   26 4  o 122.9621 5.667972 154.1634       14.17263  142.4575       
17.72869  174.8898       23.59055  117.8522 7.435666 130.3944 8.950872 
-12.54218      11.63646 
1 1 1 7   26 5  o 204.8084 7.740981 429.1065       32.24001  0.000000       
0.000000  429.1065       32.24001  ?        ?        204.8084 7.740981 
0.000000       7.740981 
1 1 1 7   26 6  o 96.45128 6.924569 95.60747       13.49125  92.95958       
17.05974  100.0282       22.04294  94.75700 8.959706 97.83105 11.28714 
-3.074051      14.41096 
1 1 1 7   26 7  o 116.2192 6.219322 138.4433       14.64518  130.6402       
17.78174  154.8984       25.82198  112.6217 7.812582 122.0855 10.50323 
-9.463821      13.09024 
1 1 1 7   26 8  o 41.82745 13.48533 17.87677       13.04788  31.31400       
15.86335  -10.22752      22.94174  53.71699 14.27747 34.44820 15.52293 
19.26879       21.09046 
1 1 1 7   26 9  o 132.0510 5.995436 178.3892       16.09955  178.0941       
19.33611  179.0561       29.06841  131.5606 7.255612 130.9151 11.02147 
0.6454773      13.19532 
1 1 1 7   26 10 o 165.6093 5.934170 280.7642       19.98462  277.1167       
24.76912  287.5675       33.82781  164.2177 7.417188 166.2692 10.05211 
-2.051559      12.49238 
1 1 1 7   26 11 o 88.41846 11.40195 82.94128       20.02327  68.66718       
26.60479  101.5898       30.40941  78.37232 17.16828 96.20792 16.11319 
-17.83559      23.54538 
1 1 1 7   26 12 o 157.6663 6.143917 254.9884       19.69861  262.3210       
23.55514  237.9310       35.92617  159.6414 7.255857 150.0965 11.86712 
9.544983       13.90957 
1 1 1 7   26 13 o 96.23738 9.542664 97.30964       18.42898  87.71312       
21.91899  120.4552       34.04063  90.38338 12.24052 104.0796 16.64433 
-13.69622      20.66069 
1 1 1 7   26 14 o 52.97713 15.14690 31.56731       17.13717  14.38530       
20.02744  78.54424       33.11545  42.13889 16.34674 81.18590 20.15252 
-39.04700      25.94879 
1 1 1 7   26 15 o 126.7676 7.174825 167.5641       18.41983  162.5822       
21.57644  180.9524       35.37081  124.1943 8.596192 127.6020 13.85383 
-3.407700      16.30408 
1 1 1 7   26 16 o 33.18241 15.07456 -6.436617      22.16305  0.000000       
0.000000  -6.436617      22.16305  ?        ?        33.18241 15.07456 
0.000000       15.07456 
1 1 1 7   26 17 o 24.92637 11.84747 -15.62413      16.34280  -21.52221      
24.06851  -10.57841      22.26154  29.74057 14.20296 31.25214 14.52466 
-1.511574      20.31477 
1 1 1 7   27 0  o 101.4027 4.320475 104.6631       8.909071  80.87462       
27.23798  107.5130       9.427631  87.23152 15.94249 102.7689 4.511172 
-15.53740      16.56845 
1 1 1 7   27 1  o 276.3647 4.535311 777.6196       25.48831  736.6099       
46.83000  794.8816       30.38272  268.5167 8.576328 279.3423 5.348579 
-10.82556      10.10746 
1 1 1 7   27 2  f 322.5208 4.107474 1058.956       26.93915  1016.491       
37.47241  1104.378       38.75541  315.7879 5.835320 329.1630 5.789884 
-13.37515      8.220324 
1 1 1 7   27 3  o 157.7970 5.160656 253.7493       16.55980  274.4202       
29.07766  243.8269       20.14599  163.5170 8.776779 154.5860 6.408657 
8.931015       10.86751 
1 1 1 7   27 4  o 156.4212 4.955206 249.3828       15.76191  239.0534       
19.66284  267.9529       26.36438  153.0315 6.318501 161.8244 8.011652 
-8.792908      10.20343 
1 1 1 7   27 5  o 183.8445 8.053373 346.1973       30.10786  0.000000       
0.000000  346.1973       30.10786  ?        ?        183.8445 8.053373 
0.000000       8.053373 
1 1 1 7   27 6  o 199.9659 4.573482 407.6803       18.59749  421.5366       
22.76377  379.8694       32.24982  203.2109 5.508659 192.4360 8.241183 
10.77489       9.912741 
1 1 1 7   27 7  o 136.8902 5.500631 191.3829       15.31215  184.0051       
18.65218  206.6315       26.81510  133.8862 6.873991 141.3414 9.382833 
-7.455139      11.63139 
1 1 1 7   27 8  o 145.2892 5.306415 215.6237       15.67783  219.5945       
18.97999  207.0956       27.81520  146.4716 6.372226 141.2976 9.739949 
5.174011       11.63924 
1 1 1 7   27 9  o 110.8939 6.728168 126.5332       15.10072  124.9590       
17.89418  130.4277       28.14589  109.9170 8.061870 110.9611 12.70248 
-1.044106      15.04483 
1 1 1 7   27 10 o 199.2947 5.166708 406.0887       20.93925  415.1483       
25.10659  385.3881       37.95108  201.2778 6.133953 192.5698 9.722792 
8.708008       11.49600 
1 1 1 7   27 11 o 192.8725 6.685445 382.1186       26.22117  337.6307       
34.17637  445.7798       40.88300  180.1936 9.359076 207.1579 9.704873 
-26.96429      13.48247 
1 1 1 7   27 12 o 146.8217 6.495369 221.4792       19.39302  208.6657       
23.09297  252.1352       35.71945  141.9059 8.035536 154.5945 11.44341 
-12.68863      13.98290 
1 1 1 7   27 13 o 93.19790 9.617981 91.54263       17.96606  90.42468       
21.86741  93.86465       31.51508  91.74001 12.01001 90.85371 17.69416 
0.8862915      21.38513 
1 1 1 7   27 14 o 46.16380 15.21595 23.06202       16.56769  17.61796       
19.73410  36.06228       30.49523  43.66322 16.39834 57.20178 20.56685 
-13.53856      26.30401 
1 1 1 7   27 15 o 27.21090 12.82262 -16.69090      18.38320  -16.69090      
18.38320  0.000000       0.000000  27.21090 12.82262 ?        ?        
0.000000       12.82262 
1 1 1 7   27 16 o 36.78333 15.84853 5.277254       21.51190  0.000000       
0.000000  5.277254       21.51190  ?        ?        36.78333 15.84853 
0.000000       15.84853 
1 1 1 7   28 0  o 35.89154 8.226461 13.68369       5.875793  16.76953       
23.51119  13.47812       6.068355  47.11605 17.85333 35.61177 8.497988 
11.50428       19.77264 
1 1 1 7   28 1  o 251.0169 3.748198 641.3414       19.13273  682.5261       
44.47100  631.9868       21.19454  258.3889 8.463534 249.1470 4.183280 
9.241898       9.440935 
1 1 1 7   28 2  o 294.0251 7.664586 883.4193       45.82733  883.4193       
45.82733  0.000000       0.000000  294.0251 7.664586 ?        ?        
0.000000       7.664586 
1 1 1 7   28 3  o 126.4181 5.126945 162.9119       13.18012  149.4212       
19.56198  174.1275       17.83632  120.5858 8.023264 130.4027 6.749277 
-9.816849      10.48454 
1 1 1 7   28 4  o 169.8034 4.713168 293.8926       16.27461  278.9362       
20.27973  320.9506       27.27694  165.2959 6.033214 177.1020 7.573921 
-11.80614      9.683179 
1 1 1 7   28 5  f 123.3511 6.695922 156.0386       16.73303  169.9562       
24.80315  144.4133       22.66878  128.1958 9.583729 118.1293 9.517410 
10.06655       13.50663 
1 1 1 7   28 6  o 206.1372 4.494600 433.3058       18.84078  445.4311       
23.24197  410.0671       32.17620  208.8556 5.472370 199.9258 7.914337 
8.929779       9.622036 
1 1 1 7   28 7  f 91.08243 7.062531 85.52316       12.97889  95.10403       
16.11696  67.84709       21.89138  95.82779 8.354226 79.35933 14.08079 
16.46846       16.37259 
1 1 1 7   28 8  o 117.2793 6.329462 141.2502       15.03933  135.3588       
18.22332  153.8321       26.63125  114.4873 7.875326 121.2613 10.91689 
-6.774048      13.46102 
1 1 1 7   28 9  o 114.1455 6.799319 134.1615       15.71096  130.0395       
19.16410  142.6102       27.43636  111.9820 8.478531 116.2890 11.76391 
-4.307007      14.50086 
1 1 1 7   28 10 o 201.4870 5.074747 415.1554       20.79279  397.4164       
24.58569  459.7141       38.96589  196.8737 6.141060 210.6936 9.094561 
-13.81996      10.97377 
1 1 1 7   28 11 o 28.22590 13.60332 -33.08223      23.24085  -28.33388      
45.09895  -34.79919      27.11912  44.63303 20.72007 31.13533 14.92459 
13.49770       25.53556 
1 1 1 7   28 12 o 193.0822 6.147156 382.8753       24.13614  424.8389       
30.81280  316.2423       38.82751  202.9075 7.467610 173.2292 11.08021 
29.67825       13.36175 
1 1 1 7   28 13 o 42.88004 15.25625 18.12220       16.73817  19.41186       
20.50101  15.54365       28.98848  45.37252 16.77783 47.51776 19.26280 
-2.145245      25.54508 
1 1 1 7   28 14 o 88.37891 10.10745 83.62630       17.83859  80.37376       
21.26473  91.35176       32.77258  85.46288 12.61502 87.37435 18.98729 
-1.911476      22.79597 
1 1 1 7   28 15 o 151.9031 7.483297 241.8610       23.11592  241.8610       
23.11592  0.000000       0.000000  151.9031 7.483297 ?        ?        
0.000000       7.483297 
1 1 1 7   28 16 o 58.98534 13.94679 41.81976       16.46569  36.79161       
18.94447  57.35086       33.29504  54.12937 16.05592 63.06440 21.57999 
-8.935024      26.89774 
1 1 1 7   29 0  o 142.3048 3.464215 206.1000       10.02480  248.7809       
31.50331  201.2911       10.57448  155.4833 10.01701 140.6254 3.697803 
14.85789       10.67775 
1 1 1 7   29 1  o 166.8164 3.797518 283.3030       12.88220  206.2902       
31.64031  298.6060       14.10414  141.2503 11.10493 171.2476 4.050145 
-29.99730      11.82045 
1 1 1 7   29 2  o 373.2085 8.279906 1425.782       62.83888  1425.782       
62.83888  0.000000       0.000000  373.2085 8.279906 ?        ?        
0.000000       8.279906 
1 1 1 7   29 3  o 257.8894 7.290225 680.2119       38.23190  0.000000       
0.000000  680.2119       38.23190  ?        ?        257.8894 7.290225 
0.000000       7.290225 
1 1 1 7   29 4  o 299.0019 4.656906 911.4841       28.31541  939.7675       
36.08117  866.1390       45.68569  303.3681 5.848699 290.7793 7.726190 
12.58881       9.690268 
1 1 1 7   29 5  o 53.20620 12.87201 30.60254       13.77573  46.74219       
21.28716  18.97324       18.06955  65.36050 16.11731 44.97149 15.86729 
20.38900       22.61722 
1 1 1 7   29 6  o 174.4177 4.792419 310.4359       16.99796  332.4984       
21.24196  271.1573       28.34298  180.3596 5.791672 162.1351 8.627449 
18.22441       10.39117 
1 1 1 7   29 7  o 143.4808 5.323727 210.3517       15.53320  226.1383       
19.45066  182.5587       25.80828  148.5990 6.436755 132.5947 9.637429 
16.00424       11.58930 
1 1 1 7   29 8  f 152.1970 6.261569 237.3108       19.37942  218.3851       
25.74026  262.0768       29.44512  145.2286 8.756798 159.0150 9.144431 
-13.78638      12.66105 
1 1 1 7   29 9  o 121.6906 6.675619 152.4668       16.45653  156.0259       
20.83478  146.5634       26.83322  122.6658 8.403090 117.9346 11.32808 
4.731201       14.10452 
1 1 1 7   29 10 o 76.32188 9.912025 61.55541       15.02058  53.20906       
18.12402  79.86230       26.84192  69.85731 13.24291 84.82647 16.15067 
-14.96916      20.88585 
1 1 1 7   29 11 o 94.58248 13.48666 96.84001       25.20514  59.81110       
45.18947  113.5621       30.36771  72.07253 25.11593 101.8081 15.12820 
-29.73552      29.32017 
1 1 1 7   29 12 f 179.0216 6.542757 329.8845       23.81868  316.4975       
29.97219  352.8295       39.23921  174.6460 8.439339 183.0707 10.58540 
-8.424713      13.53784 
1 1 1 7   29 13 o 23.76647 11.44915 -23.18307      16.42074  -15.28107      
20.18726  -38.63580      28.23005  29.66878 13.80297 30.84210 14.89623 
-1.173323      20.30812 
1 1 1 7   29 14 o 41.68857 15.02826 17.60983       16.29271  29.94259       
19.60300  -9.941238      29.29960  51.09629 16.53506 37.79304 17.23209 
13.30326       23.88206 
1 1 1 7   29 15 o 73.87624 12.88100 62.44724       18.64751  62.44724       
18.64751  0.000000       0.000000  73.87624 12.88100 ?        ?        
0.000000       12.88100 
1 1 1 7   29 16 o 55.70407 14.31968 38.18879       16.31020  35.08922       
18.92080  47.15388       32.17855  52.36781 16.15550 57.14687 21.04010 
-4.779057      26.52708 
1 1 1 7   30 0  o 183.8236 6.535928 344.9522       24.43205  341.9733       
34.24994  348.0385       34.86250  182.4326 9.262604 184.0300 9.346446 
-1.597412      13.15872 
1 1 1 7   30 1  o 32.24152 10.03993 10.60790       7.288055  0.000000       
0.000000  10.60790       7.288055  ?        ?        32.24152 10.03993 
0.000000       10.03993 
1 1 1 7   30 2  o 108.2609 5.640036 119.9189       12.37371  134.4233       
22.35930  113.5159       14.85593  113.9691 9.741187 105.1441 6.987847 
8.825050       11.98836 
1 1 1 7   30 3  o 259.5379 5.827919 687.8188       30.75854  687.8188       
30.75854  0.000000       0.000000  259.5379 5.827919 ?        ?        
0.000000       5.827919 
1 1 1 7   30 4  o 180.8906 4.844587 333.7964       17.82068  384.7549       
23.89070  269.8787       26.75659  194.0291 6.054948 161.9674 8.149705 
32.06169       10.15284 
1 1 1 7   30 5  o 218.8530 5.378373 489.1977       23.93618  476.3104       
33.50160  502.6367       34.21131  215.4568 7.646346 221.3430 7.600681 
-5.886154      10.78132 
1 1 1 7   30 6  f 116.6283 5.971407 139.5080       14.11475  151.3176       
17.95776  120.4192       22.83089  121.2205 7.319246 107.3032 10.60171 
13.91728       12.88284 
1 1 1 7   30 7  o 90.79691 7.422399 85.24408       13.58478  91.57306       
17.18450  74.69892       22.18179  93.74083 9.130716 83.31358 13.55902 
10.42725       16.34678 
1 1 1 7   30 8  o 151.4485 5.323195 234.6049       16.39414  228.8182       
19.97284  246.5551       28.70201  149.3359 6.576947 154.0915 9.201742 
-4.755661      11.31054 
1 1 1 7   30 9  o 95.63584 8.317493 95.18175       16.01468  111.9056       
21.09562  72.43420       24.60317  103.1961 10.18547 80.98721 15.50375 
22.20888       18.55020 
1 1 1 7   30 10 o 102.5379 7.952678 109.2563       16.45275  87.37074       
19.85419  157.2275       29.39437  90.70515 10.98807 121.5798 12.04777 
-30.87463      16.30602 
1 1 1 7   30 11 o 50.36951 15.93059 27.60297       18.27570  25.48286       
24.77364  30.13439       27.07027  50.87387 18.50179 54.18537 19.38858 
-3.311493      26.79988 
1 1 1 7   30 12 o 151.6289 6.607038 236.9886       20.37230  217.5071       
25.03394  275.1874       35.05440  144.3616 8.565898 161.2804 10.74991 
-16.91879      13.74537 
1 1 1 7   30 13 o 100.2434 8.989713 106.1542       18.13065  107.6727       
21.99487  102.9349       32.02530  100.0576 10.99094 94.18767 17.36006 
5.869934       20.54683 
1 1 1 7   30 14 f 41.66046 15.11998 17.82005       16.53268  22.46368       
19.69809  6.752866       30.40981  45.75192 16.51952 43.22705 18.73343 
2.524864       24.97671 
1 1 1 7   30 15 o 65.24654 13.86612 50.44512       17.83060  50.44512       
17.83060  0.000000       0.000000  65.24654 13.86612 ?        ?        
0.000000       13.86612 
1 1 1 7   30 16 o 62.68403 13.42298 47.70689       16.59437  53.45890       
19.49648  32.58413       31.61271  65.13715 15.02523 49.70212 20.12717 
15.43504       25.11694 
1 1 1 7   31 0  o 203.4086 6.555648 422.6542       27.11667  401.1582       
38.84747  443.0809       37.86880  197.6295 9.666285 207.8468 8.959560 
-10.21733      13.17994 
1 1 1 7   31 1  o 99.02924 4.552785 99.95521       9.168368  0.000000       
0.000000  99.95521       9.168368  ?        ?        99.02924 4.552785 
0.000000       4.552785 
1 1 1 7   31 2  o 165.5879 4.157414 279.4113       13.99920  272.5873       
20.58763  285.2802       19.09252  163.3317 6.198468 167.1648 5.616517 
-3.833115      8.364584 
1 1 1 7   31 3  o 89.28323 6.079466 81.84805       10.97219  100.4868       
16.91679  68.31333       14.41564  98.54938 8.525331 81.04454 8.893130 
17.50484       12.31946 
1 1 1 7   31 4  o 264.4183 4.654593 713.3043       25.02792  703.1221       
31.44962  730.8903       41.33111  262.2562 5.897097 266.9028 7.615046 
-4.646606      9.631441 
1 1 1 7   31 5  o 182.7590 5.545149 341.4041       20.60836  342.2202       
29.65701  340.6420       28.65791  182.4611 7.992926 182.1018 7.738894 
0.3593140      11.12553 
1 1 1 7   31 6  o 102.6107 6.459765 108.3106       13.41029  124.8283       
17.62644  85.61005       20.66364  109.8761 7.942278 89.95531 11.56387 
19.92075       14.02864 
1 1 1 7   31 7  o 80.46967 8.326009 67.46400       13.42743  77.08868       
17.17666  52.34057       21.53133  85.63272 10.05524 68.74123 15.74176 
16.89149       18.67915 
1 1 1 7   31 8  o 96.69969 7.639157 96.92597       14.89948  116.3457       
18.65138  62.67830       24.76878  105.6994 8.756196 74.83707 16.69940 
30.86232       18.85579 
1 1 1 7   31 9  o 100.8539 7.863704 105.6467       16.00020  97.19346       
20.19542  119.8983       26.22242  95.90513 10.52843 105.9059 12.41124 
-10.00081      16.27534 
1 1 1 7   31 10 f 67.80141 11.85579 49.78698       15.75112  71.61120       
20.20492  15.97586       25.14880  81.33353 12.62555 46.09481 18.18893 
35.23872       22.14140 
1 1 1 7   31 11 o 37.35867 15.05989 8.331142       17.61181  6.744195       
24.11884  10.14387       25.77753  41.08740 17.20109 43.59076 17.97486 
-2.503353      24.87917 
1 1 1 7   31 12 o 106.5042 8.521780 118.9487       18.30189  121.1862       
22.51552  114.5910       31.42147  106.6778 10.51580 100.9454 15.82733 
5.732475       19.00228 
1 1 1 7   31 13 o 65.05382 13.28396 47.72655       16.97896  34.67358       
20.57038  75.63025       30.07590  54.54062 16.84822 78.90068 18.97708 
-24.36006      25.37700 
1 1 1 7   31 14 f 98.05063 8.809322 102.8825       17.37740  82.99113       
20.17900  159.9704       34.18528  86.29881 11.80835 117.7642 14.58709 
-31.46541      18.76753 
1 1 1 7   31 15 o 121.7481 9.000662 161.0946       22.12578  161.0946       
22.12578  0.000000       0.000000  121.7481 9.000662 ?        ?        
0.000000       9.000662 
1 1 1 7   32 0  o 247.5581 8.589392 628.8809       43.24053  0.000000       
0.000000  628.8809       43.24053  ?        ?        247.5581 8.589392 
0.000000       8.589392 
1 1 1 7   32 1  o 83.55212 4.738522 71.42139       8.017897  0.000000       
0.000000  71.42139       8.017897  ?        ?        83.55212 4.738522 
0.000000       4.738522 
1 1 1 7   32 2  o 125.1494 4.964803 159.8226       12.63520  169.7176       
22.64445  155.3490       15.22583  128.1970 8.738360 123.2758 6.073678 
4.921188       10.64183 
1 1 1 7   32 3  o 47.37190 11.24670 24.18647       10.67237  46.60160       
20.33070  15.66025       12.53891  65.20927 15.55036 39.68549 13.24478 
25.52379       20.42640 
1 1 1 7   32 4  o 39.58102 16.27447 6.575737       21.05585  6.575737       
21.05585  0.000000       0.000000  39.58102 16.27447 ?        ?        
0.000000       16.27447 
1 1 1 7   32 5  o 128.7666 8.677308 171.7200       22.58918  0.000000       
0.000000  171.7200       22.58918  ?        ?        128.7666 8.677308 
0.000000       8.677308 
1 1 1 7   32 6  o 182.8250 5.920768 342.3066       22.01228  327.0575       
32.56525  355.1353       29.86930  177.6414 9.044771 185.6980 7.909815 
-8.056595      12.01553 
1 1 1 7   32 7  o 93.89329 8.878300 92.00378       16.75063  121.6891       
25.80918  70.39923       22.01792  107.0377 12.06792 80.43819 13.96722 
26.59953       18.45855 
1 1 1 7   32 8  o 245.7547 6.010640 619.6457       30.03820  624.5720       
43.66692  615.2207       41.38568  245.5005 8.746793 243.8616 8.345555 
1.638855       12.08945 
1 1 1 7   32 9  o 52.70107 14.41742 30.82868       15.89820  51.20871       
20.65117  1.176533       24.90980  67.60683 15.36921 39.51332 17.03946 
28.09352       22.94681 
1 1 1 7   32 10 o 45.87320 16.68162 20.25461       20.13836  54.42629       
32.36521  -1.333349      25.72474  68.14932 21.14699 39.04541 17.07103 
29.10391       27.17748 
1 1 1 7   32 11 o 93.10136 11.53653 93.14324       21.37370  111.6441       
33.31623  80.20286       27.86339  99.11066 17.15134 83.79568 16.93419 
15.31497       24.10260 
1 1 1 7   32 12 o 140.9330 7.484732 206.9082       21.37374  218.1822       
27.64512  190.1543       33.70045  143.6873 9.515111 132.1667 12.69518 
11.52057       15.86521 
1 1 1 7   32 13 o 93.76884 9.746033 94.47679       18.31243  88.87949       
22.72696  104.8374       30.92034  89.18088 12.90729 94.29459 16.73830 
-5.113708      21.13691 
1 1 1 7   32 14 o 41.41944 15.45910 18.06333       17.48494  0.9175992      
20.77880  59.65360       32.36222  34.58146 15.22503 65.66650 21.24484 
-31.08504      26.13704 
1 1 1 7   32 15 o 46.65215 16.27415 27.49270       18.97530  27.49270       
18.97530  0.000000       0.000000  46.65215 16.27415 ?        ?        
0.000000       16.27415 
1 1 1 7   33 0  o 173.6427 9.601667 311.5342       33.77260  0.000000       
0.000000  311.5342       33.77260  ?        ?        173.6427 9.601667 
0.000000       9.601667 
1 1 1 7   33 1  o 257.6892 3.630172 676.5319       19.02282  710.2282       
46.40771  669.7267       20.85544  262.7834 8.684420 256.3345 4.000928 
6.448853       9.561725 
1 1 1 7   33 2  o 163.1512 4.080468 271.3874       13.53791  299.1784       
20.25954  248.9667       18.19710  171.0592 5.824137 156.0591 5.734053 
15.00018       8.173122 
1 1 1 7   33 3  o 132.2551 4.625844 178.5227       12.44098  174.5288       
18.72985  181.6762       16.64289  130.2455 7.098422 133.2256 6.143126 
-2.980148      9.387524 
1 1 1 7   33 4  o 74.24998 10.68523 58.36651       15.66892  58.36651       
15.66892  0.000000       0.000000  74.24998 10.68523 ?        ?        
0.000000       10.68523 
1 1 1 7   33 5  o 77.30341 7.889179 62.15568       12.22792  49.60946       
16.27480  78.41904       18.52953  67.85368 12.24538 86.16003 10.81388 
-18.30634      16.33675 
1 1 1 7   33 6  o 187.7001 4.759689 360.0558       18.16748  374.5805       
22.94433  335.6448       29.74512  191.1870 5.901544 180.3529 8.110380 
10.83412       10.03028 
1 1 1 7   33 7  o 110.8797 6.330815 126.6492       14.21537  140.3581       
18.19147  105.1500       22.78134  116.3847 7.730327 99.48615 11.47085 
16.89852       13.83251 
1 1 1 7   33 8  o 106.7661 7.441222 118.1947       16.05481  99.20936       
20.65386  147.1808       25.52041  96.75559 10.67493 118.0254 10.75102 
-21.26983      15.15053 
1 1 1 7   33 9  f 29.18786 12.76019 -1.903476      14.37039  0.3904021      
18.09171  -5.824802      23.65435  33.76440 14.54100 35.89769 15.99986 
-2.133293      21.62028 
1 1 1 7   33 10 o 36.82330 15.18954 6.358512       18.41557  -9.748945      
26.80327  20.76093       25.34498  36.90459 16.69034 48.24895 18.47564 
-11.34436      24.89813 
1 1 1 7   33 11 o 99.22712 10.11470 104.7387       20.12425  47.68580       
27.15661  174.2300       29.97106  63.53272 19.30989 127.3432 11.70479 
-63.81051      22.58039 
1 1 1 7   33 12 o 73.61621 12.20523 59.94777       17.63131  37.13853       
21.69575  104.3074       30.25612  56.20862 17.29294 95.01301 16.24312 
-38.80439      23.72519 
1 1 1 7   33 13 o 30.44876 13.27345 0.8507601E-01  15.45098  -19.89940      
18.02057  55.55589       30.02303  25.80036 12.31249 65.32091 20.38359 
-39.52055      23.81362 
1 1 1 7   33 14 o 118.3367 7.252557 148.6205       17.36848  142.4829       
19.67908  170.2497       36.94231  114.9849 8.475887 118.1501 15.76946 
-3.165146      17.90298 
1 1 1 7   33 15 o 62.53936 14.71673 49.70552       18.40427  49.70552       
18.40427  0.000000       0.000000  62.53936 14.71673 ?        ?        
0.000000       14.71673 
1 1 1 7   34 0  o 108.2116 13.18601 124.0687       28.41607  0.000000       
0.000000  124.0687       28.41607  ?        ?        108.2116 13.18601 
0.000000       13.18601 
1 1 1 7   34 1  o 145.0603 3.516635 214.4101       10.37354  255.2116       
31.23302  209.3511       10.99787  156.8301 9.843304 143.3156 3.773669 
13.51456       10.54188 
1 1 1 7   34 2  o 58.46089 7.462631 35.65664       8.669340  40.38177       
14.01427  32.72756       11.03391  61.30412 11.66788 55.38169 10.17228 
5.922436       15.47949 
1 1 1 7   34 3  o 133.9914 4.562988 183.2953       12.43305  182.4350       
18.59968  183.9903       16.71666  133.1557 6.892624 134.0247 6.133565 
-0.8690948     9.226532 
1 1 1 7   34 4  o 168.1374 5.850698 289.5182       20.00430  289.5182       
20.00430  0.000000       0.000000  168.1374 5.850698 ?        ?        
0.000000       5.850698 
1 1 1 7   34 5  o 71.39226 8.331968 53.32043       11.86869  47.71218       
15.86777  60.44275       17.88187  66.43423 12.19493 74.99160 12.14097 
-8.557365      17.20812 
1 1 1 7   34 6  o 252.8709 4.490602 653.4233       23.09164  653.4617       
28.41081  653.3487       39.63718  252.5520 5.531991 251.6174 7.746591 
0.9345703      9.519065 
1 1 1 7   34 7  f 204.9388 4.815608 429.7434       20.06904  406.7482       
24.77574  473.6232       34.22467  198.9949 6.122561 214.0288 7.863496 
-15.03384      9.965958 
1 1 1 7   34 8  o 79.26994 9.787722 66.59728       15.44259  68.51305       
20.45768  64.05978       23.54444  79.18673 13.16670 75.42081 15.85460 
3.765923       20.60898 
1 1 1 7   34 9  o 69.86181 11.07649 52.64625       15.21097  60.44740       
19.56977  40.74023       24.17629  74.03287 13.49627 59.66445 18.23795 
14.36842       22.68859 
1 1 1 7   34 10 o 113.7596 7.844018 134.9674       18.03500  123.8718       
22.55582  154.6345       30.02978  107.9367 10.40522 119.5790 12.53582 
-11.64230      16.29157 
1 1 1 7   34 11 o 63.22795 14.40816 45.53288       18.11263  38.03216       
24.44594  54.66240       26.96990  57.13495 18.46240 67.40945 18.90786 
-10.27449      26.42664 
1 1 1 7   34 12 o 99.14938 8.948149 104.7022       17.84717  102.0123       
22.13419  109.7009       30.17356  96.46513 11.51077 97.15450 15.81674 
-0.6893692     19.56188 
1 1 1 7   34 13 o 69.35399 12.19384 54.78617       16.56967  47.66537       
19.30116  74.73945       32.30919  62.75574 15.26967 74.37947 20.63583 
-11.62373      25.67100 
1 1 1 7   34 14 o 35.46136 13.88351 11.98163       14.54915  4.515166       
16.24201  42.30260       32.73058  32.27491 13.83599 54.27359 20.94125 
-21.99867      25.09922 
1 1 1 7   35 0  o 306.3447 6.164916 960.8920       38.40511  959.0880       
54.18226  962.7136       54.44475  304.9892 8.736172 305.5525 8.762313 
-0.5632324     12.37331 
1 1 1 7   35 1  o 24.31671 8.003923 5.824941       4.584847  -18.35821      
21.34411  6.994771       4.694431  30.31422 14.13316 26.08508 8.047135 
4.229145       16.26354 
1 1 1 7   35 2  o 42.52079 9.835480 19.47510       8.335281  10.61276       
13.61822  24.78407       10.54025  36.21759 13.61836 47.85535 11.05380 
-11.63776      17.53985 
1 1 1 7   35 3  o 47.33880 9.986386 24.11637       9.311024  47.14153       
14.89591  9.351032       11.92854  66.28006 11.46684 33.98323 12.75193 
32.29683       17.14935 
1 1 1 7   35 4  o 121.0479 6.993311 151.1655       17.14106  151.1655       
17.14106  0.000000       0.000000  121.0479 6.993311 ?        ?        
0.000000       6.993311 
1 1 1 7   35 5  o 99.85689 6.551373 102.9073       13.22962  110.0392       
17.42826  93.21020       20.32243  102.7935 8.411185 93.79478 10.85542 
8.998695       13.73275 
1 1 1 7   35 6  o 23.04096 10.64826 -8.886546      11.71548  -3.323100      
16.00041  -15.31627      17.20106  30.22554 13.33111 26.96620 12.61053 
3.259335       18.35058 
1 1 1 7   35 7  o 113.5086 6.538416 133.0940       15.02837  144.7359       
19.19201  114.6402       24.16315  117.9172 8.051847 103.5242 11.68215 
14.39304       14.18819 
1 1 1 7   35 8  o 105.5624 12.14941 119.9527       25.60475  0.000000       
0.000000  119.9527       25.60475  ?        ?        105.5624 12.14941 
0.000000       12.14941 
1 1 1 7   35 9  o 56.05165 14.85496 35.55493       17.20467  87.49747       
25.09894  -10.48410      23.62963  88.79170 14.39327 34.12407 15.52662 
54.66763       21.17173 
1 1 1 7   35 10 o 62.70203 12.88012 43.81744       15.87352  44.00677       
20.38983  43.52616       25.29072  61.67564 16.08878 60.79993 18.66500 
0.8757057      24.64207 
1 1 1 7   35 11 o 172.7155 6.785013 309.6905       23.83051  306.0451       
31.21552  314.7831       36.89482  170.1192 9.055915 171.2926 10.64460 
-1.173386      13.97559 
1 1 1 7   35 12 o 58.58039 13.64895 39.90777       15.95774  55.25983       
19.18460  5.433203       28.74874  68.89734 14.16617 41.46260 18.08933 
27.43473       22.97616 
1 1 1 7   35 13 f 38.56740 14.46215 15.50731       15.33754  21.02305       
18.12221  1.581605       28.79507  43.03539 15.79786 38.99593 17.49688 
4.039459       23.57357 
1 1 1 7   35 14 o 94.47479 8.294146 97.58105       15.77325  89.48629       
17.45995  133.5095       36.78410  89.25599 9.779641 97.55687 19.22542 
-8.300880      21.56984 
1 1 1 7   36 0  o 152.8919 7.236434 240.2518       22.49886  250.3273       
31.47795  229.7287       32.16972  154.9958 10.04099 148.1924 10.74813 
6.803391       14.70863 
1 1 1 7   36 1  o 123.5013 4.342610 155.7144       10.90621  159.4192       
27.37242  155.0152       11.89083  123.1493 11.04774 123.1751 4.747202 
-0.2584076E-01 12.02449 
1 1 1 7   36 2  f 163.0510 3.993885 271.2933       13.24251  268.2769       
20.03810  273.6323       17.64485  161.7552 6.091817 163.5267 5.306129 
-1.771515      8.078691 
1 1 1 7   36 3  o 77.20676 6.412511 61.61730       9.976697  56.64973       
15.49087  65.13817       13.04154  72.91357 10.77192 78.98877 8.240500 
-6.075195      13.56245 
1 1 1 7   36 4  o 123.2624 6.970715 156.9018       17.40108  156.9018       
17.40108  0.000000       0.000000  123.2624 6.970715 ?        ?        
0.000000       6.970715 
1 1 1 7   36 5  o 29.28395 11.93001 3.997008       11.18471  2.628946       
15.46764  5.496275       16.19238  32.58602 13.71554 34.76316 14.28006 
-2.177147      19.79990 
1 1 1 7   36 6  o 48.05849 12.44047 25.48023       12.25262  29.11207       
16.47149  20.98096       18.33329  51.16922 14.91477 45.55542 15.99055 
5.613800       21.86660 
1 1 1 7   36 7  o 204.9970 4.974648 430.7162       20.73773  421.0797       
25.71740  448.6310       35.06479  202.2237 6.253796 207.7453 8.300200 
-5.521637      10.39246 
1 1 1 7   36 8  o 133.6112 6.282842 183.9779       17.07066  166.4876       
21.38609  214.6895       28.33895  126.1879 8.381847 142.6531 9.829000 
-16.46522      12.91761 
1 1 1 7   36 9  o 31.21171 13.80873 -3.232785      17.29810  -12.98967      
25.85155  4.677451       23.27694  34.94354 16.02804 39.21842 16.68132 
-4.274883      23.13362 
1 1 1 7   36 10 o 55.56052 14.31007 35.36420       16.26659  50.01639       
20.87018  12.68671       25.96405  65.53294 15.83697 43.86834 18.05871 
21.66460       24.01930 
1 1 1 7   36 11 o 60.65368 15.25565 43.41372       18.79880  52.06409       
26.96484  35.23354       26.22178  64.45071 19.16416 54.45902 19.12336 
9.991688       27.07338 
1 1 1 7   36 12 o 32.25640 13.70437 3.976040       15.67752  -2.503666      
18.47917  20.61860       29.61521  31.57495 14.10241 46.79462 19.27776 
-15.21967      23.88535 
1 1 1 7   36 13 o 30.45924 13.06195 3.466775       14.48415  -7.669088      
16.56632  39.60155       29.84192  27.47978 12.68651 53.13755 20.11893 
-25.65777      23.78484 
1 1 1 7   36 14 o 44.25185 13.84694 25.02809       13.84411  18.76558       
15.27504  53.83395       32.76036  39.31818 14.49320 56.45440 21.14282 
-17.13622      25.63341 
1 1 1 7   37 0  o 31.14930 13.39764 -0.1813416     15.31938  12.09813       
20.03429  -17.46969      23.77175  41.41018 16.26807 32.60409 15.10301 
8.806087       22.19800 
1 1 1 7   37 1  o 61.74126 14.04998 42.07080       17.24335  50.29887       
23.31814  32.14202       25.61492  66.78862 17.09639 55.26301 18.92805 
11.52561       25.50603 
1 1 1 7   37 2  o 259.8394 4.471563 689.9501       23.62739  752.9493       
47.01084  668.6580       27.32999  269.6373 8.573667 255.5528 5.259051 
14.08453       10.05810 
1 1 1 7   37 3  o 65.99294 7.234397 45.41422       9.549335  37.19665       
15.44980  50.49440       12.14760  58.03343 13.36719 69.22842 8.829968 
-11.19499      16.02030 
1 1 1 7   37 4  o 39.96213 14.23216 15.31925       14.56989  15.31925       
14.56989  0.000000       0.000000  39.96213 14.23216 ?        ?        
0.000000       14.23216 
1 1 1 7   37 5  o 43.29433 12.46574 20.47957       11.56961  32.47434       
16.15477  7.849286       16.57721  53.85130 14.45096 36.27892 14.61570 
17.57238       20.55356 
1 1 1 7   37 6  o 41.51147 13.11197 18.47071       12.38382  -0.4710371     
16.51550  42.79920       18.71713  31.84473 13.80313 61.46235 15.08710 
-29.61762      20.44864 
1 1 1 7   37 7  o 72.30686 10.44580 56.18741       14.91403  49.63402       
19.87687  64.62969       22.56032  66.10307 15.11562 75.61279 15.19945 
-9.509720      21.43608 
1 1 1 7   37 8  o 42.24025 14.21200 18.79943       14.43829  40.42243       
19.17851  -9.487968      21.93579  59.31054 15.66742 32.93285 14.97502 
26.37769       21.67301 
1 1 1 7   37 9  o 116.6300 8.772311 143.4388       20.65299  118.9278       
29.62549  166.6145       28.80717  102.9846 14.55158 124.1828 11.53938 
-21.19827      18.57164 
1 1 1 7   37 10 f 48.30624 15.02575 26.72568       16.32895  46.92171       
20.30251  -10.26974      27.47836  63.02979 15.85448 36.30349 16.60497 
26.72630       22.95844 
1 1 1 7   37 11 o 78.43673 12.86902 70.02320       19.81448  76.73132       
26.60247  61.66430       29.69586  79.19411 17.02512 68.54932 20.03923 
10.64479       26.29497 
1 1 1 7   37 12 o 62.60409 13.22471 46.47333       16.30842  39.26302       
19.16754  65.37980       31.03807  55.70203 16.04704 67.83476 20.64967 
-12.13274      26.15179 
1 1 1 7   37 13 o 82.05997 9.505400 75.49049       15.56813  61.59310       
17.38223  131.8390       35.00098  71.85167 12.34108 98.09165 18.21741 
-26.23998      22.00401 
1 1 1 7   38 0  f 119.8003 8.394713 149.2513       20.32182  147.9974       
28.64379  150.5220       28.83597  117.8952 12.12025 118.9171 12.09272 
-1.021843      17.12117 
1 1 1 7   38 1  f 219.0005 6.280818 492.7993       27.97131  500.4000       
39.33812  485.0267       39.78038  219.5765 8.810007 216.0538 9.054316 
3.522736       12.63317 
1 1 1 7   38 2  o 103.4417 5.344607 109.9555       11.20409  99.23756       
25.70895  112.4684       12.44843  95.52907 13.61982 104.5048 5.881612 
-8.975716      14.83553 
1 1 1 7   38 3  o 173.2012 4.068732 306.5238       14.33050  304.3189       
21.38929  308.3196       19.30360  172.0460 6.113648 173.3625 5.475602 
-1.316498      8.207248 
1 1 1 7   38 4  o 121.3850 7.467079 153.0204       18.34238  153.0204       
18.34238  0.000000       0.000000  121.3850 7.467079 ?        ?        
0.000000       7.467079 
1 1 1 7   38 5  o 95.12194 6.847057 93.92583       13.15592  85.89134       
17.09429  105.5981       20.60394  90.09416 9.472306 99.64578 10.31759 
-9.551620      14.00633 
1 1 1 7   38 6  o 62.53348 10.63100 42.38283       13.03490  41.28236       
17.50660  43.75190       19.52665  60.37424 14.45160 61.80775 15.54942 
-1.433510      21.22812 
1 1 1 7   38 7  o 40.51757 14.04675 16.78757       14.12606  25.48400       
19.97902  8.094194       19.97552  48.60934 16.71356 38.51213 15.84515 
10.09721       23.03067 
1 1 1 7   38 8  o 105.4512 8.034894 116.6808       17.10024  149.1891       
23.22197  78.17012       25.27505  118.4975 9.722590 82.61893 15.61611 
35.87857       18.39543 
1 1 1 7   38 9  o 37.82206 15.35276 9.506870       18.44078  4.256395       
27.12274  14.02046       25.14753  40.88684 17.70563 43.77069 17.86662 
-2.883850      25.15364 
1 1 1 7   38 10 o 45.76738 16.82054 22.58608       20.55306  22.58608       
20.55306  0.000000       0.000000  45.76738 16.82054 ?        ?        
0.000000       16.82054 
1 1 1 7   38 11 f 91.66385 10.41271 92.81365       19.06503  73.13404       
24.15401  125.3362       31.05086  77.33514 15.89034 102.2467 15.41256 
-24.91161      22.13707 
1 1 1 7   38 12 o 80.80815 9.998258 73.24950       16.07911  79.54198       
18.79095  56.04552       31.07080  83.11887 11.41893 60.83757 20.84658 
22.28130       23.76913 
1 1 1 7   38 13 o 36.42204 13.78135 15.19929       13.99673  10.29195       
15.66648  34.60953       31.15760  33.97293 14.01143 47.97736 19.77018 
-14.00443      24.23180 
1 1 1 7   39 0  o 147.9791 7.320472 226.0730       22.02881  244.9055       
31.73554  208.5615       30.60224  152.5845 10.28790 140.5203 10.79176 
12.06421       14.90983 
1 1 1 7   39 1  o 55.39473 15.05963 34.43797       17.41002  17.35514       
23.62684  54.73424       25.75336  45.82517 17.76109 68.80183 18.14627 
-22.97666      25.39180 
1 1 1 7   39 2  o 45.94136 9.242044 22.77131       8.335118  18.88994       
22.57342  23.38404       8.968934  46.02821 17.48106 46.43893 9.805145 
-0.4107132     20.04317 
1 1 1 7   39 3  o 95.94757 5.388625 94.79662       10.47132  89.15038       
16.52525  98.58468       13.53557  92.02167 8.943933 97.47352 6.872733 
-5.451851      11.27956 
1 1 1 7   39 4  o 138.7697 4.963611 197.5028       14.00696  203.6254       
18.33813  188.9284       21.70162  140.4975 6.418520 134.5939 7.964388 
5.903687       10.22883 
1 1 1 7   39 5  o 195.1687 4.702536 390.4922       18.66353  402.0835       
23.71238  371.6206       30.25613  197.5796 5.901759 189.0049 7.872070 
8.574722       9.838712 
1 1 1 7   39 6  o 81.16592 8.607626 69.62704       13.99039  58.17579       
18.40001  85.31961       21.53965  72.38979 12.97607 88.31413 12.33010 
-15.92434      17.89999 
1 1 1 7   39 7  o 180.0723 5.582264 333.9716       20.44130  317.2068       
26.57767  358.2507       31.98404  174.6049 7.485296 184.9460 8.504267 
-10.34113      11.32926 
1 1 1 7   39 8  o 40.45626 14.40571 16.69426       14.92680  25.00291       
20.37627  7.071543       21.92846  47.87098 16.85404 38.89880 16.34944 
8.972183       23.48112 
1 1 1 7   39 9  o 136.7951 6.637843 194.7629       18.46498  179.8293       
22.76996  223.4460       31.55679  130.1499 8.652637 143.4063 10.90280 
-13.25633      13.91902 
1 1 1 7   39 10 f 57.03122 16.73258 40.45277       20.67098  40.45277       
20.67098  0.000000       0.000000  57.03122 16.73258 ?        ?        
0.000000       16.73258 
1 1 1 7   39 11 o 110.3236 9.267615 133.2601       20.59896  141.3049       
26.43740  120.8300       32.86236  111.1670 11.87866 97.15517 17.26601 
14.01183       20.95752 
1 1 1 7   39 12 o 31.69162 13.22969 7.065034       14.20977  4.593665       
16.39871  14.51300       28.46818  31.80777 13.77068 41.02340 17.94645 
-9.215631      22.62093 
1 1 1 7   39 13 o 66.74368 11.55034 54.14283       15.10923  50.47233       
17.29005  66.00199       31.07854  61.95610 14.04716 60.75974 20.84811 
1.196354       25.13894 
1 1 1 7   40 0  o 96.86648 9.573409 99.07572       18.61104  115.1639       
25.45314  80.59270       27.28187  103.2947 12.36312 84.26099 16.51242 
19.03376       20.62781 
1 1 1 7   40 1  o 97.30576 9.971807 100.3982       19.45299  115.5210       
26.37769  82.36604       28.80343  103.1153 12.85892 84.64847 17.31673 
18.46683       21.56898 
1 1 1 7   40 2  o 27.28000 10.06840 6.345212       7.375876  23.73721       
21.82454  4.102570       7.837009  48.25105 17.39349 25.66493 10.14531 
22.58612       20.13606 
1 1 1 7   40 3  o 39.96096 10.78414 17.50897       8.966582  21.83854       
15.20220  15.19923       11.10366  44.87201 14.56508 38.03890 12.45273 
6.833103       19.16278 
1 1 1 7   40 4  o 124.9771 5.289823 160.5379       13.44383  167.1736       
18.04248  152.2551       20.15779  126.8325 7.022806 120.5158 8.275360 
6.316666       10.85363 
1 1 1 7   40 5  o 219.2719 5.343997 494.5489       23.82872  486.3547       
33.13599  503.3244       34.29151  216.2224 7.536118 219.8736 7.669413 
-3.651169      10.75235 
1 1 1 7   40 6  o 61.31448 13.30677 42.44470       16.11514  55.76353       
26.03364  34.17093       20.51888  68.04653 18.38055 54.27985 16.83694 
13.76669       24.92644 
1 1 1 7   40 7  o 78.09148 9.651665 65.51365       15.00077  63.82508       
20.06038  67.65556       22.59338  75.17117 13.62480 76.66238 15.02987 
-1.491203      20.28625 
1 1 1 7   40 8  o 101.1813 9.557002 109.8911       19.43120  85.98077       
28.19044  131.5339       26.82045  84.80193 16.94002 108.9591 12.32112 
-24.15717      20.94694 
1 1 1 7   40 9  o 35.04350 14.07180 9.205794       15.31171  6.090895       
19.18153  14.67678       25.42109  35.92756 15.20584 43.11052 17.82016 
-7.182957      23.42596 
1 1 1 7   40 10 o 96.38206 10.60097 103.4558       20.43410  103.4558       
20.43410  0.000000       0.000000  96.38206 10.60097 ?        ?        
0.000000       10.60097 
1 1 1 7   40 11 o 29.12661 13.25413 -3.899474      17.22460  -18.30636      
21.77923  20.16122       28.14566  28.30802 13.51656 43.65240 18.44422 
-15.34438      22.86671 
1 1 1 7   40 12 o 42.79935 14.24097 24.01737       14.49997  26.84861       
16.44674  14.13680       30.72432  44.56129 15.16745 40.28742 18.07513 
4.273876       23.59581 
1 1 1 7   41 0  o 106.5846 8.946653 119.5987       19.21189  131.7016       
26.72866  106.6625       27.63335  110.3759 12.10711 98.08993 14.27195 
12.28594       18.71553 
1 1 1 7   41 1  o 40.50305 15.34008 14.50360       17.35238  7.745240       
24.01547  21.88640       25.10040  40.98418 17.16158 48.25478 18.40800 
-7.270592      25.16693 
1 1 1 7   41 2  o 94.73203 5.429360 92.58838       10.41555  96.54362       
27.72970  91.93870       11.23845  92.41693 15.28972 94.27711 5.891580 
-1.860184      16.38555 
1 1 1 7   41 3  o 36.40662 11.08352 14.30691       8.941512  31.71094       
15.53659  5.687567       10.93372  52.78394 14.17483 29.95270 11.93788 
22.83123       18.53210 
1 1 1 7   41 4  o 43.57004 11.83965 21.13925       10.76374  0.9893578      
15.12206  41.83204       15.32442  30.99329 13.32025 61.09256 12.74735 
-30.09927      18.43703 
1 1 1 7   41 5  o 119.5638 6.073275 148.0889       14.71789  138.8073       
19.55414  160.2189       22.35423  114.7629 8.438049 123.0480 8.996109 
-8.285027      12.33413 
1 1 1 7   41 6  o 111.1921 8.368815 130.5304       18.78420  104.0543       
29.99954  147.6051       24.09149  94.60802 16.17432 117.2528 10.20568 
-22.64482      19.12497 
1 1 1 7   41 7  o 91.72519 8.398918 89.35907       15.49225  90.99561       
20.60496  87.23077       23.49762  91.00212 11.38350 87.72910 13.61242 
3.273018       17.74492 
1 1 1 7   41 8  o 58.15802 14.82149 40.32888       17.57996  45.24269       
25.71182  36.01510       24.09089  59.57925 18.90120 54.05961 18.35710 
5.519634       26.34841 
1 1 1 7   41 9  o 69.41568 12.12487 55.30402       16.49247  36.70481       
20.23721  92.08538       28.45885  53.92363 16.72008 85.85114 16.90285 
-31.92751      23.77535 
1 1 1 7   41 10 o 29.80024 13.60317 -4.953316      18.32420  -4.953316      
18.32420  0.000000       0.000000  29.80024 13.60317 ?        ?        
0.000000       13.60317 
1 1 1 7   41 11 o 34.54760 15.04197 7.238320       19.78888  7.238320       
19.78888  0.000000       0.000000  34.54760 15.04197 ?        ?        
0.000000       15.04197 
1 1 1 7   41 12 o 36.79550 13.88864 16.98771       14.19351  17.26960       
16.18959  16.05132       29.50670  37.23774 14.62558 39.30894 17.66895 
-2.071198      22.93686 
1 1 1 7   42 0  o 100.7805 9.589209 107.9437       19.41528  81.85776       
27.39578  134.2655       27.51933  84.08263 16.61149 110.9632 12.40815 
-26.88059      20.73412 
1 1 1 7   42 1  o 108.0790 9.219215 123.7582       20.06844  124.1800       
28.26989  123.3297       28.49354  105.9662 13.41990 105.4856 13.59992 
0.4806061      19.10632 
1 1 1 7   42 2  o 97.11978 5.312702 97.35008       10.45262  89.51549       
28.01889  98.61671       11.26592  87.95929 16.26360 97.64251 5.698586 
-9.683220      17.23306 
1 1 1 7   42 3  o 74.53597 6.554661 57.98816       9.833990  79.10726       
16.89374  47.16425       12.09428  85.87542 9.852294 66.29995 9.220038 
19.57547       13.49358 
1 1 1 7   42 4  o 42.65959 12.00694 20.33661       10.85629  16.59639       
15.52251  23.91791       15.18915  40.61636 14.66458 46.10423 14.51664 
-5.487862      20.63451 
1 1 1 7   42 5  o 39.32786 13.26109 16.50479       12.57109  10.00523       
17.36225  23.66680       18.22558  37.31744 14.98461 46.30474 15.96088 
-8.987301      21.89266 
1 1 1 7   42 6  o 110.3700 8.371809 129.1392       18.64983  124.5477       
30.25804  131.9521       23.68337  104.1725 14.69148 110.1739 10.70614 
-6.001450      18.17858 
1 1 1 7   42 7  o 47.72565 13.86788 26.61322       14.26007  29.98794       
18.92069  22.17559       21.69671  50.13303 16.24697 45.57677 17.17923 
4.556259       23.64508 
1 1 1 7   42 8  o 63.24006 14.08756 47.72483       17.65254  29.61518       
26.50863  62.15405       23.66211  49.76500 18.93324 70.35790 16.77474 
-20.59290      25.29545 
1 1 1 7   42 9  o 48.54009 16.13984 29.94693       18.62577  29.94693       
18.62577  0.000000       0.000000  48.54009 16.13984 ?        ?        
0.000000       16.13984 
1 1 1 7   42 10 o 35.61477 14.87469 10.78203       17.97565  10.78203       
17.97565  0.000000       0.000000  35.61477 14.87469 ?        ?        
0.000000       14.87469 
1 1 1 7   42 11 o 39.23283 14.08340 19.95893       14.29374  7.739711       
16.50972  56.53270       28.56293  32.44016 13.92935 57.04525 19.96288 
-24.60509      24.34221 
1 1 1 7   43 0  o 72.80463 12.23939 58.73426       17.47756  29.16226       
23.87151  92.90131       25.65921  51.29622 18.22272 90.66784 14.39805 
-39.37162      23.22437 
1 1 1 7   43 1  f 88.72820 11.20426 85.74011       19.76539  97.70739       
28.18284  74.15628       27.72767  92.14311 15.59731 78.68024 17.75201 
13.46288       23.63070 
1 1 1 7   43 2  o 90.59165 5.381555 84.87421       9.869437  70.14311       
27.74726  87.00787       10.56002  76.04516 18.18804 91.63562 5.695128 
-15.59046      19.05883 
1 1 1 7   43 3  o 117.4651 4.923138 141.9562       11.75986  128.0476       
19.33434  150.1230       14.81547  109.8886 8.723936 120.2840 6.076660 
-10.39542      10.63169 
1 1 1 7   43 4  o 72.07401 8.404164 55.37984       12.08626  49.13718       
17.22514  61.43393       16.96297  65.62634 13.36137 74.51935 11.56905 
-8.893005      17.67397 
1 1 1 7   43 5  o 42.41715 13.40267 20.25101       12.93816  38.24982       
18.66794  3.613819       17.94793  56.58812 15.68083 34.18741 14.59714 
22.40071       21.42347 
1 1 1 7   43 6  o 54.61407 14.45335 35.41843       16.30198  32.71758       
25.18355  37.36646       21.38769  52.11516 18.69510 55.04256 17.20883 
-2.927402      25.40966 
1 1 1 7   43 7  o 24.69768 12.07433 -31.74056      20.12888  -31.74056      
20.12888  0.000000       0.000000  24.69768 12.07433 ?        ?        
0.000000       12.07433 
1 1 1 7   43 8  o 41.92880 14.43606 20.74326       14.90749  15.25253       
18.91918  29.73518       24.21105  39.44911 15.70950 48.51655 18.17473 
-9.067440      24.02310 
1 1 1 7   43 9  o 45.24012 14.51357 26.05515       15.12774  21.61063       
18.26102  35.77750       27.00838  42.03775 15.77707 50.02080 19.09170 
-7.983044      24.76710 
1 1 1 7   43 10 o 33.32700 14.01665 9.429301       16.13418  9.429301       
16.13418  0.000000       0.000000  33.32700 14.01665 ?        ?        
0.000000       14.01665 
1 1 1 7   43 11 o 26.59958 12.12248 -1.359041      14.47794  -9.848543      
16.80309  23.10705       28.52531  25.44579 12.07067 40.44337 17.82072 
-14.99758      21.52392 
1 1 1 7   44 0  o 37.69543 14.85047 11.34243       16.73890  12.71754       
22.64426  9.685764       24.85459  41.73692 16.98587 41.56015 17.43384 
0.1767693      24.34047 
1 1 1 7   44 1  o 34.09663 14.67913 2.251011       18.42444  -13.17181      
25.32388  19.59611       26.85572  33.89984 15.66268 46.76904 18.68699 
-12.86920      24.38285 
1 1 1 7   44 2  o 107.2242 4.900111 118.3554       10.68440  77.54142       
28.40543  125.0814       11.53122  79.74326 17.94984 110.1586 5.147606 
-30.41536      18.67336 
1 1 1 7   44 3  o 115.6610 4.928154 137.8102       11.59104  150.7159       
19.41542  130.6633       14.44835  119.4307 8.041090 111.9651 6.372114 
7.465523       10.25977 
1 1 1 7   44 4  o 55.16644 14.69194 36.03144       16.77621  36.03144       
16.77621  0.000000       0.000000  55.16644 14.69194 ?        ?        
0.000000       14.69194 
1 1 1 7   44 5  o 68.45152 14.45356 55.38347       19.48786  55.38347       
19.48786  0.000000       0.000000  68.45152 14.45356 ?        ?        
0.000000       14.45356 
1 1 1 7   44 6  o 30.50803 13.28579 1.104279       15.44458  -4.226811      
23.64081  5.073817       20.39972  34.46597 15.62320 35.83045 15.43570 
-1.364475      21.96235 
1 1 1 7   44 7  o 75.58701 11.78888 65.80759       17.52930  51.59802       
26.05269  77.56174       23.69504  61.07423 18.97651 79.23382 15.25963 
-18.15958      24.35086 
1 1 1 7   44 8  o 58.30157 12.47142 40.97734       14.33866  57.94556       
17.94353  10.99946       23.85009  68.94769 13.27958 38.58546 16.65613 
30.36222       21.30197 
1 1 1 7   44 9  o 44.51872 14.29200 26.19523       14.66744  10.30666       
17.40662  65.10143       27.23839  34.51455 14.53974 64.26486 19.29581 
-29.75031      24.16056 
1 1 1 7   44 10 o 26.31692 12.63430 -14.44851      19.60080  -14.44851      
19.60080  0.000000       0.000000  26.31692 12.63430 ?        ?        
0.000000       12.63430 
1 1 1 7   45 0  o 33.03171 14.27166 1.704643       17.54216  -5.606647      
24.57403  9.301606       25.04952  35.46726 16.01612 41.20084 17.40384 
-5.733582      23.65185 
1 1 1 7   45 1  o 57.96688 15.76555 40.24830       19.07574  25.77504       
26.39727  56.06709       27.59703  49.14440 18.84657 66.38642 19.29268 
-17.24202      26.97036 
1 1 1 7   45 2  o 87.43966 11.79893 85.11271       20.44413  116.6404       
28.65704  52.43589       29.17463  100.5621 14.42672 63.55722 20.13067 
37.00485       24.76639 
1 1 1 7   45 3  o 35.28475 11.07126 13.67489       8.843393  43.40228       
16.56562  1.826360       10.45831  60.92921 13.70234 26.47917 11.21859 
34.45004       17.70907 
1 1 1 7   45 4  o 45.80697 11.81552 24.15235       11.07839  21.54591       
16.00719  26.54854       15.34801  43.45026 14.95909 47.29613 14.54377 
-3.845871      20.86374 
1 1 1 7   45 5  o 45.32132 13.20195 24.30809       12.90913  57.10295       
18.79517  -4.977761      17.76120  69.34954 13.81284 29.81853 13.52649 
39.53101       19.33289 
1 1 1 7   45 6  o 55.40931 13.85737 37.52942       15.57366  39.75935       
23.77430  35.85330       20.61167  54.27060 18.23702 52.37862 16.95565 
1.891972       24.90147 
1 1 1 7   45 7  o 62.82384 16.06643 52.12789       20.60676  46.55348       
40.82047  54.03428       23.87175  53.89502 22.45437 62.08329 17.91492 
-8.188274      28.72531 
1 1 1 7   45 8  o 57.90144 14.33325 43.89534       16.78642  42.06518       
22.87883  46.02942       24.70544  52.92656 17.88976 54.54805 18.58944 
-1.621494      25.79943 
1 1 1 7   45 9  o 23.88060 11.14833 -6.536762      13.35020  -5.076860      
15.77312  -10.22416      25.06776  26.37548 12.24752 30.57575 14.57212 
-4.200272      19.03545 
1 1 1 7   45 10 o 60.68843 13.56857 50.73919       16.32490  50.73919       
16.32490  0.000000       0.000000  60.68843 13.56857 ?        ?        
0.000000       13.56857 
1 1 1 7   46 0  o 32.70259 14.16257 1.773236       17.35640  -5.837298      
24.56839  9.355658       24.52297  35.08892 15.91402 40.55260 17.17988 
-5.463684      23.41804 
1 1 1 7   46 1  o 31.64098 13.98005 -1.062999      17.67242  14.19028       
22.99338  -23.07886      27.62416  41.79183 17.07447 32.51598 15.43971 
9.275845       23.02004 
1 1 1 7   46 2  o 33.82530 14.64028 2.787391       18.52546  -16.12947      
25.88515  22.65019       26.52445  32.83442 15.39123 46.79947 18.61215 
-13.96505      24.15165 
1 1 1 7   46 3  o 79.11056 6.037548 65.63136       9.639503  42.71645       
15.86438  79.04327       12.13694  60.20663 13.31137 86.44080 6.963666 
-26.23417      15.02282 
1 1 1 7   46 4  o 100.3104 6.600074 106.2072       13.38795  85.07050       
19.04782  126.8436       18.82105  86.93513 11.02209 108.3019 8.617141 
-21.36681      13.99077 
1 1 1 7   46 5  o 31.49562 14.64595 -9.765154      22.68530  -9.765154      
22.68530  0.000000       0.000000  31.49562 14.64595 ?        ?        
0.000000       14.64595 
1 1 1 7   46 6  o 41.55479 14.46386 21.23195       14.98460  46.97895       
23.43767  3.431987       19.48771  57.49507 18.02106 33.37803 14.71739 
24.11705       23.26715 
1 1 1 7   46 7  o 68.64607 10.38599 54.89446       14.04513  43.50094       
17.45356  75.82902       23.65847  57.11433 14.87874 74.80940 16.03374 
-17.69507      21.87368 
1 1 1 7   46 8  o 24.52384 11.33875 -4.796539      13.30658  -20.64019      
16.34600  26.33027       22.91138  22.51425 10.97940 42.30776 17.13406 
-19.79352      20.35001 
1 1 1 7   46 9  o 57.38661 12.20946 43.11215       13.81034  41.84394       
16.37946  46.23070       25.68510  53.57127 14.62512 49.28066 18.66361 
4.290607       23.71127 
1 1 1 7   47 0  o 59.59836 15.34675 43.42247       18.71160  45.20789       
26.54640  41.65953       26.37879  58.57566 19.25841 56.51397 19.20893 
2.061687       27.20054 
1 1 1 7   47 1  o 32.75356 14.25453 2.125014       17.75562  9.746420       
23.38024  -8.259676      27.29155  39.43602 16.74463 35.53360 16.36122 
3.902420       23.41094 
1 1 1 7   47 2  o 69.20992 14.31742 57.71984       19.48570  47.74452       
27.32222  68.04545       27.79781  59.04971 19.54377 71.21258 18.88668 
-12.16286      27.17840 
1 1 1 7   47 3  o 45.25568 9.432176 23.06504       8.398875  11.73327       
14.00222  29.43334       10.49687  35.16087 13.66039 50.74079 10.51843 
-15.57992      17.24076 
1 1 1 7   47 4  f 75.51263 7.892580 61.88942       11.94056  54.13140       
17.49962  68.64803       16.33362  66.87234 13.33631 77.69069 10.61646 
-10.81835      17.04601 
1 1 1 7   47 5  f 29.64046 13.18483 0.3246137      15.97898  0.3246137      
15.97898  0.000000       0.000000  29.64046 13.18483 ?        ?        
0.000000       13.18483 
1 1 1 7   47 6  o 37.78159 13.84697 17.40936       13.91474  18.67822       
20.44077  16.31360       18.99545  39.68909 16.14377 38.15387 15.54581 
1.535217       22.41191 
1 1 1 7   47 7  o 20.30473 9.843128 -15.61944      12.61458  -16.47171      
16.05241  -14.24334      20.39761  23.25010 11.23025 27.00934 12.94596 
-3.759239      17.13815 
1 1 1 7   47 8  o 28.38023 12.27156 5.517969       12.99026  -4.471175      
15.30343  31.27332       24.57301  25.67369 11.96884 42.49881 17.54004 
-16.82512      21.23456 
1 1 1 7   47 9  o 17.11582 8.559150 -26.56201      12.42216  -18.70823      
14.73610  -45.84692      23.09151  20.79843 10.20196 22.17742 11.16895 
-1.378992      15.12698 
1 1 1 7   48 0  o 73.47181 13.71819 64.39505       19.74221  93.86288       
26.79772  29.41781       29.19554  87.16941 15.69478 49.18979 19.53816 
37.97963       25.06124 
1 1 1 7   48 1  o 46.86246 16.02070 27.43588       18.35001  42.72186       
24.72739  8.699999       27.37593  55.87616 18.59733 40.09893 17.56894 
15.77723       25.58375 
1 1 1 7   48 2  o 47.07340 16.10454 28.30500       18.54269  39.83599       
24.90055  13.95083       27.78209  53.52255 18.64427 41.68235 17.98489 
11.84019       25.90492 
1 1 1 7   48 3  o 40.37994 9.753534 18.80131       7.919012  18.43676       
12.54943  19.04252       10.20804  39.25946 13.24960 39.94611 11.76955 
-0.6866493     17.72214 
1 1 1 7   48 4  o 34.60880 11.86172 13.88317       10.05956  12.83629       
15.07930  14.72268       13.50351  35.38848 14.04623 36.11625 13.56467 
-0.7277679     19.52682 
1 1 1 7   48 5  f 35.98047 14.14532 14.68301       15.15741  14.68301       
15.15741  0.000000       0.000000  35.98047 14.14532 ?        ?        
0.000000       14.14532 
1 1 1 7   48 6  o 44.59988 13.66069 27.10494       13.55601  14.20055       
18.91327  40.73777       19.43976  35.83279 15.12874 51.67775 16.43926 
-15.84496      22.34117 
1 1 1 7   48 7  o 39.31529 13.30529 21.63034       12.65548  27.06373       
15.60317  11.18323       21.63592  42.42327 14.75976 34.13395 15.25139 
8.289326       21.22393 
1 1 1 7   48 8  o 50.93224 12.93795 36.75546       13.42636  39.52990       
16.10821  30.44115       24.30091  50.24786 14.77898 40.10721 17.05147 
10.14064       22.56482 
1 1 1 7   49 0  o 60.24027 15.92725 47.48452       19.80843  68.87534       
29.06713  28.93701       27.06645  68.63408 19.75787 47.36651 18.81280 
21.26757       27.28177 
1 1 1 7   49 1  o 39.37629 15.55694 16.98382       18.41827  20.87902       
25.72062  12.88420       26.38690  43.10687 17.88034 40.13004 17.42081 
2.976830       24.96380 
1 1 1 7   49 2  o 42.70571 15.80379 23.28055       18.19664  4.577291       
24.75972  45.24726       26.83302  36.13062 16.21700 54.33925 19.31830 
-18.20863      25.22276 
1 1 1 7   49 3  o 26.36176 10.56002 5.501849       8.600127  -36.84684      
26.02585  10.69292       9.111994  26.91082 13.27008 31.18213 11.23908 
-4.271313      17.39000 
1 1 1 7   49 4  o 32.05157 11.37725 11.89014       9.303502  0.6559513      
12.58109  25.44645       13.82032  26.43696 11.73238 43.63816 13.85884 
-17.20120      18.15809 
1 1 1 7   49 5  o 26.79236 12.25349 -1.710372      14.95868  -1.710372      
14.95868  0.000000       0.000000  26.79236 12.25349 ?        ?        
0.000000       12.25349 
1 1 1 7   49 6  o 35.84088 12.87412 17.45185       11.94627  17.58215       
14.80145  17.20836       20.23376  35.77730 14.00444 35.99591 15.43735 
-0.2186127     20.84312 
1 1 1 7   49 7  o 25.26702 11.35477 1.780613       12.17801  -10.19717      
15.04951  24.50085       20.72719  23.05896 11.07034 37.87074 15.90517 
-14.81178      19.37852 
1 1 1 7   50 0  o 27.56549 12.93608 -9.861639      18.37418  -8.409492      
26.83576  -11.14321      25.21038  33.18970 15.59400 31.65668 14.94760 
1.533020       21.60101 
1 1 1 7   50 1  o 40.34619 15.67867 20.49392       18.44883  14.52582       
25.70581  26.83323       26.49317  39.18605 17.10041 44.17993 18.22081 
-4.993885      24.98844 
1 1 1 7   50 2  f 38.05870 16.79591 13.33004       25.43538  13.33004       
25.43538  0.000000       0.000000  38.05870 16.79591 ?        ?        
0.000000       16.79591 
1 1 1 7   50 3  o 23.13144 9.735024 2.748484       7.791055  -34.95730      
25.04373  6.788747       8.197850  25.91029 12.82109 26.73409 10.43401 
-0.8237953     16.53024 
1 1 1 7   50 4  o 65.46241 7.860228 48.62550       10.25433  34.63969       
14.12533  64.20850       14.91009  49.99142 13.55404 72.71560 10.37767 
-22.72418      17.07067 
1 1 1 7   50 5  o 26.66583 12.19130 0.2351680      14.78995  0.2351680      
14.78995  0.000000       0.000000  26.66583 12.19130 ?        ?        
0.000000       12.19130 
1 1 1 7   50 6  o 64.01069 9.595346 50.69887       12.10518  48.74844       
15.14586  54.14809       20.14135  58.39326 13.07980 55.54951 16.57321 
2.843746       21.11285 
1 1 1 7   50 7  o 22.64308 10.54114 -2.337122      11.80384  -10.60623      
14.55467  13.55276       20.17592  22.02270 10.65089 31.83874 14.43256 
-9.816038      17.93712 
1 1 1 7   51 0  o 40.83237 15.75154 22.85675       18.51482  57.04992       
28.83815  -1.121162      24.14924  56.51103 20.03385 32.70135 15.17432 
23.80968       25.13195 
1 1 1 7   51 1  o 26.60738 12.66721 -11.30710      18.83563  9.894568       
28.93661  -26.89513      24.81180  36.90753 16.93942 27.02197 13.25132 
9.885563       21.50678 
1 1 1 7   51 2  o 32.45761 15.14579 0.9965372      24.59813  0.9965372      
24.59813  0.000000       0.000000  32.45761 15.14579 ?        ?        
0.000000       15.14579 
1 1 1 7   51 3  o 28.55670 13.38469 -2.759331      19.56746  -2.759331      
19.56746  0.000000       0.000000  28.55670 13.38469 ?        ?        
0.000000       13.38469 
1 1 1 7   51 4  o 29.08107 10.64479 10.34423       8.219470  2.029280       
10.83713  21.60555       12.61186  24.53787 10.88928 38.31472 13.27316 
-13.77685      17.16838 
1 1 1 7   51 5  o 25.60677 11.72440 1.220225       13.74784  1.220225       
13.74784  0.000000       0.000000  25.60677 11.72440 ?        ?        
0.000000       11.72440 
1 1 1 7   51 6  o 28.95238 11.84172 10.90761       11.07473  9.185790       
13.78316  14.04429       18.60333  28.55128 12.48894 31.45280 14.09141 
-2.901520      18.82927 
1 1 1 7   52 0  o 27.97720 13.07695 -3.555910      18.45881  -12.29060      
28.12161  3.056326       24.46756  30.49751 14.76295 32.57554 15.16887 
-2.078033      21.16694 
1 1 1 7   52 1  o 36.70922 16.83277 17.25068       28.48264  17.25068       
28.48264  0.000000       0.000000  36.70922 16.83277 ?        ?        
0.000000       16.83277 
1 1 1 7   52 2  o 26.88573 12.56839 -2.111472      17.06003  -13.14089      
24.29790  8.612181       23.95873  27.75306 13.50132 32.71194 15.15627 
-4.958879      20.29773 
1 1 1 7   52 3  o 45.07586 17.06243 40.73316       21.46011  40.73316       
21.46011  0.000000       0.000000  45.07586 17.06243 ?        ?        
0.000000       17.06243 
1 1 1 7   52 4  o 16.47145 7.907971 -7.634172      7.680608  1.744026       
10.75499  -17.39518      10.97231  23.66673 10.64986 17.26459 8.532584 
6.402147       13.64641 
1 1 1 7   52 5  o 24.70315 10.45662 5.970414       9.072689  -7.409765      
11.91244  24.45209       14.00041  20.59835 9.878448 37.28358 13.84940 
-16.68523      17.01145 
1 1 1 7   53 0  o 24.92969 12.47900 -36.48987      26.70747  -36.48987      
26.70747  0.000000       0.000000  24.92969 12.47900 ?        ?        
0.000000       12.47900 
1 1 1 7   53 1  o 25.29856 12.64856 -32.00754      27.06640  -32.00754      
27.06640  0.000000       0.000000  25.29856 12.64856 ?        ?        
0.000000       12.64856 
1 1 1 7   53 2  o 42.51605 15.62791 34.38448       17.74277  47.84945       
29.03277  26.35781       22.41577  41.93973 18.23995 36.39007 15.92205 
5.549664       24.21172 
1 1 1 7   53 3  o 29.31597 13.72146 7.998207       20.44247  7.998207       
20.44247  0.000000       0.000000  29.31597 13.72146 ?        ?        
0.000000       13.72146 
1 1 1 7   53 4  o 28.45219 10.23997 11.16374       7.561248  9.526929       
10.15483  13.20039       11.32745  27.13317 11.24316 29.69766 12.04044 
-2.564495      16.47364 
1 1 1 7   54 0  o 31.38406 14.93717 12.10197       26.15312  12.10197       
26.15312  0.000000       0.000000  31.38406 14.93717 ?        ?        
0.000000       14.93717 
1 1 1 7   54 1  o 26.75897 12.54721 3.212916       17.22534  14.35777       
28.34837  -3.310463      21.68838  31.37128 15.09512 26.58493 12.89194 
4.786352       19.85107 
1 1 1 7   54 2  f 21.21188 10.48735 -16.87031      16.62900  -16.08528      
27.54514  -17.32049      20.85895  25.75723 12.86009 23.27189 11.54800 
2.485340       17.28404 
1 1 1 7   54 3  o 22.84720 11.61126 -42.75756      28.74257  -42.75756      
28.74257  0.000000       0.000000  22.84720 11.61126 ?        ?        
0.000000       11.61126 
1 1 1 7   55 0  o 45.71722 16.39882 48.63277       19.37668  63.86409       
29.22020  36.67809       25.88709  41.85029 18.24835 35.20163 16.10686 
6.648659       24.33995 
1 1 1 7   55 1  o 31.40101 13.79134 20.12075       16.95929  -1.937285      
28.05742  32.81944       21.28843  26.76007 13.29832 35.02680 15.41609 
-8.266726      20.35930 
1 1 1 8   0  0  o 110.8508 5.988340 126.0854       13.40883  126.0854       
13.40883  126.0854       13.40883  110.8508 5.988340 110.8508 5.988340 
0.000000       0.000000 
1 1 1 8   0  1  f 343.1697 5.656003 1198.802       39.44609  1198.802       
39.44609  1198.802       39.44609  343.1697 5.656003 343.1697 5.656003 
0.000000       0.000000 
1 1 1 8   0  2  o 693.9371 8.849586 4902.499       124.8347  4902.499       
124.8347  4902.499       124.8347  693.9371 8.849586 693.9371 8.849586 
0.000000       0.000000 
1 1 1 8   0  3  o 80.92506 10.82308 70.14589       16.91755  70.14589       
16.91755  70.14589       16.91755  80.92506 10.82308 80.92506 10.82308 
0.000000       0.000000 
1 1 1 8   0  4  o 58.53975 17.80568 43.35536       18.50670  43.35536       
18.50670  43.35536       18.50670  58.53975 17.80568 58.53975 17.80568 
0.000000       0.000000 
1 1 1 8   0  5  o 141.7391 8.172853 206.4731       23.37752  206.4731       
23.37752  206.4731       23.37752  141.7391 8.172853 141.7391 8.172853 
0.000000       0.000000 
1 1 1 8   0  6  o 653.4691 12.71315 4358.415       168.7947  4358.415       
168.7947  4358.415       168.7947  653.4691 12.71315 653.4691 12.71315 
0.000000       0.000000 
1 1 1 8   0  7  o 315.1192 7.050659 1012.298       45.12995  1012.298       
45.12995  1012.298       45.12995  315.1192 7.050659 315.1192 7.050659 
0.000000       0.000000 
1 1 1 8   0  8  o 256.4555 7.526076 671.6396       39.17282  671.6396       
39.17282  671.6396       39.17282  256.4555 7.526076 256.4555 7.526076 
0.000000       0.000000 
1 1 1 8   0  9  o 28.91323 18.36225 3.021639       23.51036  3.021639       
23.51036  3.021639       23.51036  28.91323 18.36225 28.91323 18.36225 
0.000000       0.000000 
1 1 1 8   0  10 o 31.06335 19.09978 8.295486       23.38725  8.295486       
23.38725  8.295486       23.38725  31.06335 19.09978 31.06335 19.09978 
0.000000       0.000000 
1 1 1 8   0  11 o 104.4504 12.27122 116.5378       25.12240  116.5378       
25.12240  116.5378       25.12240  104.4504 12.27122 104.4504 12.27122 
0.000000       0.000000 
1 1 1 8   0  12 o 267.0321 7.544874 730.3024       40.89610  730.3024       
40.89610  730.3024       40.89610  267.0321 7.544874 267.0321 7.544874 
0.000000       0.000000 
1 1 1 8   0  13 f 215.4712 8.333693 477.6556       36.39154  477.6556       
36.39154  477.6556       36.39154  215.4712 8.333693 215.4712 8.333693 
0.000000       0.000000 
1 1 1 8   0  14 o 51.60863 26.23108 43.42158       34.47840  43.42158       
34.47840  43.42158       34.47840  51.60863 26.23108 51.60863 26.23108 
0.000000       0.000000 
1 1 1 8   0  15 o 26.72870 18.08563 -11.47442      29.00405  -11.47442      
29.00405  -11.47442      29.00405  26.72870 18.08563 26.72870 18.08563 
0.000000       0.000000 
1 1 1 8   0  16 o 109.2260 14.67730 132.5556       30.94637  132.5556       
30.94637  132.5556       30.94637  109.2260 14.67730 109.2260 14.67730 
0.000000       0.000000 
1 1 1 8   0  17 o 101.8919 14.87044 118.3459       28.89439  118.3459       
28.89439  118.3459       28.89439  101.8919 14.87044 101.8919 14.87044 
0.000000       0.000000 
1 1 1 8   0  18 o 21.65108 15.53787 -41.82309      32.55743  -41.82309      
32.55743  -41.82309      32.55743  21.65108 15.53787 21.65108 15.53787 
0.000000       0.000000 
1 1 1 8   1  0  o 341.8886 3.950924 1188.939       27.46848  1212.601       
39.34225  1166.435       38.36865  345.2059 5.604406 338.5723 5.572803 
6.633606       7.903512 
1 1 1 8   1  1  o 143.2836 4.015263 208.8179       11.69935  183.6880       
16.50238  234.2115       16.58871  134.3557 6.040032 151.7245 5.376573 
-17.36884      8.086379 
1 1 1 8   1  2  o 204.7318 7.801059 426.6885       32.47808  426.6885       
32.47808  0.000000       0.000000  204.7318 7.801059 ?        ?        
0.000000       7.801059 
1 1 1 8   1  3  o 106.4210 5.863585 115.5778       12.64046  108.7233       
18.18806  121.9817       17.58006  102.9604 8.770494 109.1751 7.973691 
-6.214760      11.85332 
1 1 1 8   1  4  o 578.8380 7.799442 3410.848       91.80618  0.000000       
0.000000  3410.848       91.80618  ?        ?        578.8380 7.799442 
0.000000       7.799442 
1 1 1 8   1  5  o 286.7105 4.425123 836.1979       25.80004  902.5006       
37.72898  777.9612       35.35969  297.7929 6.230305 276.4813 6.289139 
21.31161       8.852681 
1 1 1 8   1  6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 8   1  7  o 165.3325 6.347157 278.3623       21.33973  295.8929       
30.66252  261.8957       29.71753  170.1017 8.895270 159.9726 9.173463 
10.12909       12.77804 
1 1 1 8   1  8  o 172.0039 6.797121 301.5322       23.77468  348.1034       
39.76024  275.6140       29.66152  184.1872 10.66103 164.0642 8.924106 
20.12302       13.90314 
1 1 1 8   1  9  o 143.4265 6.571606 209.7705       19.16693  213.7449       
27.47782  206.0042       26.74912  144.2563 9.418594 141.6208 9.340638 
2.635498       13.26490 
1 1 1 8   1  10 o 169.2047 5.979559 291.9790       20.57468  282.9221       
29.37162  300.7049       28.82993  166.0533 8.728822 171.4801 8.267581 
-5.426804      12.02270 
1 1 1 8   1  11 o 246.7914 7.278356 622.5550       36.52707  0.000000       
0.000000  622.5550       36.52707  ?        ?        246.7914 7.278356 
0.000000       7.278356 
1 1 1 8   1  12 o 161.5300 6.582792 266.6298       21.62294  254.4670       
30.38298  279.1125       30.77980  157.0869 9.556704 164.6189 9.231889 
-7.531982      13.28753 
1 1 1 8   1  13 f 66.95824 14.44781 48.57083       19.09509  68.70573       
27.30864  29.30848       26.71037  79.15598 17.43639 54.98905 19.30119 
24.16692       26.01084 
1 1 1 8   1  14 o 135.0727 10.38990 189.6149       28.31954  192.7568       
40.20989  186.5226       39.89175  134.6753 14.93370 132.3982 15.08601 
2.277130       21.22742 
1 1 1 8   1  15 o 187.2178 6.890368 359.2689       26.23258  352.0676       
36.38571  367.0636       37.85484  184.3499 9.740492 188.1781 9.927511 
-3.828262      13.90801 
1 1 1 8   1  16 o 149.6183 7.873200 231.2348       23.87025  225.6672       
33.31873  237.1058       34.21434  146.6087 11.26183 150.2908 11.27722 
-3.682083      15.93752 
1 1 1 8   1  17 o 95.12145 10.20079 95.78200       19.42373  127.3551       
27.92626  66.19405       27.03407  108.6509 12.89092 75.88108 17.82306 
32.76980       21.99630 
1 1 1 8   1  18 o 90.73194 13.71151 91.90384       24.50953  119.3030       
34.43125  63.75869       34.89685  101.0831 17.37667 70.98695 21.94713 
30.09615       27.99331 
1 1 1 8   2  0  f 196.3503 3.615508 392.1253       14.43618  398.9370       
20.66495  385.6324       20.17552  198.0158 5.131958 194.6868 5.096087 
3.329071       7.232365 
1 1 1 8   2  1  o 425.7284 4.425161 1843.624       38.31008  1885.002       
55.10147  1804.905       53.30067  430.3853 6.295850 421.1462 6.223694 
9.239014       8.852802 
1 1 1 8   2  2  o 801.7031 7.006336 6541.329       114.2236  6755.295       
235.2023  6475.291       130.6669  813.4921 14.21795 797.5225 8.056958 
15.96954       16.34211 
1 1 1 8   2  3  o 126.0861 5.233473 161.7263       13.41865  140.8748       
19.15409  181.8234       18.80442  117.3586 8.075064 133.4837 6.951596 
-16.12508      10.65511 
1 1 1 8   2  4  o 394.2449 4.519422 1580.999       36.23268  1514.498       
50.51348  1651.473       52.00035  385.7830 6.438918 402.8557 6.347538 
-17.07272      9.041620 
1 1 1 8   2  5  o 312.5968 4.406567 994.0101       28.01150  1062.922       
41.46822  936.1780       37.98858  323.1727 6.309999 303.3004 6.159262 
19.87234       8.817743 
1 1 1 8   2  6  o 256.9290 5.027275 671.6957       26.26620  668.8044       
30.00840  681.1679       54.31506  256.3456 5.756593 258.4228 10.33566 
-2.077148      11.83064 
1 1 1 8   2  7  o 300.4814 7.043922 919.7979       43.04113  0.000000       
0.000000  919.7979       43.04113  ?        ?        300.4814 7.043922 
0.000000       7.043922 
1 1 1 8   2  8  o 220.2797 5.948130 494.2766       26.64443  468.8262       
43.66937  509.3698       33.62949  214.1713 10.02684 223.5052 7.399139 
-9.333923      12.46133 
1 1 1 8   2  9  o 439.4112 5.147156 1966.731       45.99281  1821.913       
62.18278  2141.645       68.33960  422.5536 7.236639 458.1107 7.335853 
-35.55713      10.30455 
1 1 1 8   2  10 o 373.4600 4.970960 1421.075       37.75163  1426.329       
53.69709  1415.940       53.08590  373.7521 7.065058 372.4006 7.009990 
1.351501       9.952639 
1 1 1 8   2  11 o 176.3019 6.024237 317.1877       21.59784  332.7204       
31.09903  302.7165       30.01760  180.2451 8.484608 171.9112 8.586581 
8.333923       12.07137 
1 1 1 8   2  12 f 66.96689 13.95594 48.28084       18.38875  64.89173       
26.09731  31.90137       25.91488  77.16462 17.08256 56.39384 19.03989 
20.77078       25.57990 
1 1 1 8   2  13 o 136.1161 9.343141 191.4824       25.70493  215.6069       
29.90210  123.1849       50.31241  144.2416 10.26128 104.1356 24.21666 
40.10601       26.30096 
1 1 1 8   2  14 o 90.26528 14.52269 87.44202       25.75344  69.73650       
35.79845  106.4347       37.07690  78.71060 21.67652 98.09073 19.27506 
-19.38013      29.00689 
1 1 1 8   2  15 o 261.0488 6.037107 697.2172       32.04808  658.0544       
43.64445  743.0421       47.21104  252.8461 8.488312 268.6178 8.642857 
-15.77167      12.11406 
1 1 1 8   2  16 o 93.33256 11.79220 92.51271       21.88155  120.9355       
31.70985  66.67531       30.23330  105.5524 15.21250 76.52121 19.40183 
29.03114       24.65464 
1 1 1 8   2  17 o 100.0563 10.20700 105.9002       20.47715  91.17667       
28.68264  121.2054       29.24363  90.15915 16.24175 105.4218 13.98639 
-15.26263      21.43394 
1 1 1 8   2  18 o 40.49503 16.94933 8.231339       23.41067  -14.60601      
31.56992  36.13196       34.89455  38.15014 17.57748 57.29394 21.74046 
-19.14380      27.95738 
1 1 1 8   3  0  o 221.1927 4.170302 497.6775       18.75813  505.8676       
23.12268  481.9118       32.08121  222.9817 5.099381 217.5671 7.251135 
5.414597       8.864685 
1 1 1 8   3  1  o 134.4610 4.115612 183.8963       11.25336  172.0973       
15.95783  195.5685       15.87182  130.0485 6.034161 138.6405 5.629700 
-8.591934      8.252552 
1 1 1 8   3  2  o 406.3986 5.048257 1680.127       41.72008  1575.915       
69.63411  1738.482       52.10778  393.4000 8.704348 413.3437 6.199259 
-19.94370      10.68628 
1 1 1 8   3  3  o 305.8230 5.912714 951.5890       36.77126  951.5890       
36.77126  0.000000       0.000000  305.8230 5.912714 ?        ?        
0.000000       5.912714 
1 1 1 8   3  4  o 644.3976 5.969450 4225.155       78.22393  4319.634       
113.1417  4138.637       108.2697  651.3164 8.542387 637.5458 8.351111 
13.77063       11.94627 
1 1 1 8   3  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 8   3  6  o 112.3423 7.801572 129.1753       17.71233  141.6148       
20.76564  95.95773       33.93356  117.5587 8.749036 95.12441 18.20547 
22.43425       20.19864 
1 1 1 8   3  7  o 109.4666 9.775384 123.2596       21.53146  132.3850       
27.83676  109.6687       33.97158  113.1140 12.30008 101.9592 16.98202 
11.15484       20.96857 
1 1 1 8   3  8  o 123.2581 8.562766 155.8095       21.32933  153.8058       
35.73355  156.9185       26.58469  121.4304 14.77551 123.4024 10.69983 
-1.971947      18.24286 
1 1 1 8   3  9  o 172.0231 6.031149 301.6335       21.09785  277.8626       
29.59311  326.2039       30.08676  164.6316 8.872219 178.6953 8.279630 
-14.06369      12.13542 
1 1 1 8   3  10 o 50.90538 15.12170 27.25091       16.79490  20.16693       
23.91644  34.14287       23.59007  49.07624 18.12672 57.40089 18.09332 
-8.324654      25.61145 
1 1 1 8   3  11 f 214.0807 5.439267 467.3854       23.67932  480.7502       
33.90096  454.6531       33.08904  216.7969 7.689666 210.8258 7.718074 
5.971069       10.89494 
1 1 1 8   3  12 o 180.5242 7.296707 333.4276       26.78637  265.0599       
46.67479  367.0029       32.70899  158.8576 14.61231 189.1852 8.502148 
-30.32753      16.90580 
1 1 1 8   3  13 o 103.7618 11.90983 112.9634       24.67477  105.4146       
28.23743  137.3444       50.74737  99.48806 14.37417 110.4093 23.33293 
-10.92123      27.40515 
1 1 1 8   3  14 o 136.2979 9.585417 192.4594       26.39847  260.5700       
42.48773  149.6337       33.69054  157.4008 13.40170 118.7055 14.24107 
38.69525       19.55540 
1 1 1 8   3  15 o 41.28576 17.57404 2.359150       25.87083  11.37169       
28.78647  -35.49255      58.99396  46.88787 19.12467 51.55179 23.84910 
-4.663918      30.57013 
1 1 1 8   3  16 o 240.5411 7.317188 595.1317       35.79191  571.7025       
41.47080  663.5376       70.86153  235.2140 8.670173 249.8599 14.00282 
-14.64583      16.46970 
1 1 1 8   3  17 o 43.36971 15.98339 17.45350       18.57636  32.27283       
26.51783  3.173498       26.03082  55.00050 19.23563 40.89989 17.52424 
14.10061       26.02131 
1 1 1 8   3  18 o 57.68136 16.21872 38.92081       19.81874  32.11457       
24.09442  53.15916       34.84917  53.19602 18.35075 65.34164 22.07925 
-12.14563      28.70964 
1 1 1 8   4  0  o 571.2341 6.153478 3320.841       71.48027  3298.739       
87.02670  3366.669       125.3139  569.2013 7.518569 574.6256 10.72415 
-5.424316      13.09718 
1 1 1 8   4  1  o 684.3785 6.126286 4766.104       85.25994  4702.036       
119.2510  4833.100       121.9457  679.4941 8.630279 688.8896 8.704932 
-9.395508      12.25796 
1 1 1 8   4  2  o 649.1818 5.907098 4287.944       77.98156  4201.732       
153.3899  4317.993       90.55743  641.9781 11.74965 651.3773 6.836598 
-9.399231      13.59387 
1 1 1 8   4  3  o 546.6713 5.301276 3040.231       58.93293  2934.641       
81.42662  3156.386       85.40301  536.9535 7.457243 556.8638 7.541761 
-19.91028      10.60607 
1 1 1 8   4  4  o 376.3203 6.446605 1441.143       49.33329  1441.143       
49.33329  0.000000       0.000000  376.3203 6.446605 ?        ?        
0.000000       6.446605 
1 1 1 8   4  5  o 278.9374 6.236866 791.8600       35.37730  711.6823       
47.31948  893.4688       53.26948  264.3143 8.803753 296.1512 8.845321 
-31.83685      12.47981 
1 1 1 8   4  6  o 34.40533 14.21930 3.263312       16.18149  7.069694       
19.35097  -5.586521      29.50626  39.23026 15.79595 42.06870 18.34068 
-2.838440      24.20522 
1 1 1 8   4  7  o 310.1868 5.624788 979.5365       35.47978  1014.590       
44.96158  921.6833       57.76138  315.5776 7.006222 300.5392 9.451158 
15.03845       11.76484 
1 1 1 8   4  8  o 202.7183 6.188340 418.6982       25.51047  434.6670       
43.87478  410.5424       31.35542  205.8849 10.51452 200.6224 7.685671 
5.262558       13.02401 
1 1 1 8   4  9  o 368.7355 4.993772 1384.861       37.44511  1332.537       
51.91647  1441.594       54.05926  361.3883 7.064471 375.8844 7.072360 
-14.49609      9.996250 
1 1 1 8   4  10 o 370.0720 4.961894 1395.462       37.34093  1394.184       
53.02932  1396.720       52.58952  369.5009 7.057472 369.8513 6.992309 
-0.3504639     9.934802 
1 1 1 8   4  11 o 155.5220 6.481099 246.9829       20.49708  238.6904       
28.77234  255.5280       29.20705  152.2606 9.337667 157.5959 9.153057 
-5.335251      13.07557 
1 1 1 8   4  12 o 168.3525 9.802391 292.4169       33.41330  323.4724       
45.90529  257.4247       48.72802  176.1877 12.90229 156.1857 15.54883 
20.00197       20.20483 
1 1 1 8   4  13 o 191.6236 7.472272 376.2344       29.11744  398.3319       
33.98663  315.2618       56.45519  196.9523 8.485857 172.2632 16.31033 
24.68907       18.38577 
1 1 1 8   4  14 o 201.2423 6.572145 414.5355       26.89539  466.6566       
37.83452  361.2901       38.24039  212.9763 8.735859 186.7677 10.10620 
26.20859       13.35854 
1 1 1 8   4  15 o 272.2623 8.358587 762.8675       46.27770  762.8675       
46.27770  0.000000       0.000000  272.2623 8.358587 ?        ?        
0.000000       8.358587 
1 1 1 8   4  16 o 91.92297 11.57791 89.69772       21.16229  101.3439       
30.15196  78.39121       29.70896  96.10216 15.99067 83.48701 18.02683 
12.61514       24.09705 
1 1 1 8   4  17 o 46.98926 16.29508 22.75408       19.01067  53.52011       
27.25493  -6.397161      26.53003  67.78071 19.00592 37.83068 16.89686 
29.95003       25.43086 
1 1 1 8   4  18 o 61.11775 14.24972 42.78653       17.38400  29.23489       
24.44740  56.64688       24.72430  51.52061 18.42639 68.83997 17.59505 
-17.31936      25.47779 
1 1 1 8   5  0  o 151.3553 4.475537 233.0363       13.77509  216.5421       
16.40791  272.4215       25.35453  145.8823 5.530942 163.5726 7.622433 
-17.69022      9.417686 
1 1 1 8   5  1  f 381.5540 4.185914 1480.793       32.47863  1455.436       
45.51542  1507.100       46.35966  378.2030 5.918097 384.8569 5.923652 
-6.653839      8.373382 
1 1 1 8   5  2  o 138.5077 4.998470 195.1552       14.07869  209.0857       
24.61387  188.3816       17.16357  143.0485 8.499662 136.0649 6.203119 
6.983643       10.52250 
1 1 1 8   5  3  o 163.7707 6.822253 272.9498       22.72038  272.9498       
22.72038  0.000000       0.000000  163.7707 6.822253 ?        ?        
0.000000       6.822253 
1 1 1 8   5  4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 8   5  5  o 106.9939 14.98140 119.2907       31.70210  0.000000       
0.000000  119.2907       31.70210  ?        ?        106.9939 14.98140 
0.000000       14.98140 
1 1 1 8   5  6  o 402.2563 5.542994 1646.819       45.34180  1611.399       
55.08252  1721.260       79.85413  397.8094 6.809062 410.8571 9.557739 
-13.04764      11.73515 
1 1 1 8   5  7  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 8   5  8  o 144.2515 6.836360 212.1183       20.05380  225.0133       
28.96823  200.2516       27.78920  148.0701 9.673789 139.6242 9.850511 
8.445984       13.80633 
1 1 1 8   5  9  o 270.5602 5.934107 746.1665       32.64906  720.0640       
38.51433  812.8287       61.54898  265.6385 7.129840 281.5864 10.74875 
-15.94781      12.89846 
1 1 1 8   5  10 o 103.0964 10.75897 110.3169       22.22388  115.8966       
26.21443  96.06006       41.90340  105.3395 12.48032 93.39094 22.36076 
11.94857       25.60785 
1 1 1 8   5  11 o 92.30288 9.852283 88.45934       18.20710  107.2915       
25.68006  69.42439       25.81795  101.1132 12.77429 80.15317 16.39265 
20.96001       20.78224 
1 1 1 8   5  12 o 230.9382 6.402265 544.9399       30.06635  636.5838       
54.92080  505.7198       35.92849  248.4579 10.87008 222.1769 7.952224 
26.28101       13.46835 
1 1 1 8   5  13 f 103.2262 11.85937 111.8285       24.44235  113.0583       
27.65881  107.4442       52.22326  103.3396 13.48311 96.59563 26.00809 
6.743965       29.29530 
1 1 1 8   5  14 o 83.36289 12.81752 74.01462       21.03259  71.52915       
29.47074  76.59466       30.02617  80.28756 18.43921 83.18140 18.25227 
-2.893837      25.94513 
1 1 1 8   5  15 o 134.8991 8.890566 188.3850       24.25205  240.8895       
34.62696  137.8319       33.97741  151.8311 11.29593 113.2923 15.12596 
38.53871       18.87836 
1 1 1 8   5  16 o 54.42244 16.84594 32.25801       20.55296  6.612802       
29.92770  55.14932       28.27519  45.24537 19.06286 69.63837 19.29900 
-24.39300      27.12645 
1 1 1 8   5  17 f 84.61846 12.93836 78.01908       21.55626  77.51381       
38.95952  78.24201       25.87840  79.67562 22.85612 83.44048 15.83054 
-3.764854      27.80303 
1 1 1 8   5  18 o 79.70685 13.10787 70.93534       20.50736  42.75410       
34.32516  86.57771       25.57312  59.99896 21.78478 87.12315 14.97410 
-27.12419      26.43483 
1 1 1 8   6  0  o 253.7295 3.652354 654.7838       18.84496  627.9286       
26.17680  683.6761       27.15151  248.4329 5.181508 259.2273 5.150649 
-10.79443      7.305970 
1 1 1 8   6  1  o 198.2734 5.492786 399.9660       22.14667  384.5540       
30.85633  416.3407       31.80548  194.3535 7.807291 202.2290 7.734052 
-7.875458      10.98951 
1 1 1 8   6  2  o 275.4316 3.899126 771.5732       21.83898  750.7551       
43.48761  778.5940       25.25444  271.5671 7.874752 276.6686 4.488761 
-5.101471      9.064254 
1 1 1 8   6  3  o 105.8838 9.404547 115.0872       20.03892  115.0872       
20.03892  0.000000       0.000000  105.8838 9.404547 ?        ?        
0.000000       9.404547 
1 1 1 8   6  4  o 334.4407 4.392911 1137.729       29.87604  1083.006       
42.39087  1191.737       42.11270  326.2235 6.390071 342.2232 6.051350 
-15.99969      8.800673 
1 1 1 8   6  5  o 162.4139 11.61716 270.4995       38.11516  0.000000       
0.000000  270.4995       38.11516  ?        ?        162.4139 11.61716 
0.000000       11.61716 
1 1 1 8   6  6  o 160.7737 7.130053 263.2472       23.31090  263.2472       
23.31090  0.000000       0.000000  160.7737 7.130053 ?        ?        
0.000000       7.130053 
1 1 1 8   6  7  o 169.5061 8.475220 293.0368       29.21379  293.0368       
29.21379  0.000000       0.000000  169.5061 8.475220 ?        ?        
0.000000       8.475220 
1 1 1 8   6  8  o 187.8460 8.158685 360.1306       31.16546  0.000000       
0.000000  360.1306       31.16546  ?        ?        187.8460 8.158685 
0.000000       8.158685 
1 1 1 8   6  9  o 98.06385 9.274235 99.25098       18.27475  90.45641       
26.20297  107.5801       25.50016  92.58295 14.38461 101.5210 12.62459 
-8.938087      19.13889 
1 1 1 8   6  10 f 316.6304 4.926096 1021.576       31.71808  1024.545       
45.14140  1018.680       44.57623  316.7383 7.008466 315.8438 6.940320 
0.8945313      9.863399 
1 1 1 8   6  11 o 106.2457 8.326759 116.3052       17.84631  100.3750       
25.72049  131.0949       24.78263  97.60501 13.30519 112.3204 10.99103 
-14.71542      17.25778 
1 1 1 8   6  12 o 146.4308 8.090613 220.4121       23.99813  234.7242       
43.54687  214.1698       28.75931  149.3777 14.51918 143.9495 9.884540 
5.428207       17.56447 
1 1 1 8   6  13 o 104.4331 11.97833 114.5274       24.97809  145.3763       
28.87921  22.92102       49.76543  117.7348 12.24125 61.87048 25.18049 
55.86433       27.99831 
1 1 1 8   6  14 o 27.09226 12.87562 -23.19370      19.29298  -38.11018      
27.46164  -8.656209      27.11054  31.05313 14.92046 38.36295 17.11156 
-7.309824      22.70298 
1 1 1 8   6  15 o 92.04028 13.38549 90.54984       24.31908  190.0059       
40.31091  33.63921       30.49325  133.2420 15.14669 58.13071 20.60151 
75.11124       25.57038 
1 1 1 8   6  16 o 133.0851 16.08880 192.9176       42.65766  192.9176       
42.65766  0.000000       0.000000  133.0851 16.08880 ?        ?        
0.000000       16.08880 
1 1 1 8   6  17 o 52.68899 15.75708 31.06261       18.19057  59.37278       
27.64695  9.450909       24.15574  71.22483 18.80935 42.18476 17.39827 
29.04007       25.62209 
1 1 1 8   6  18 o 49.76262 15.12941 28.37179       16.66902  38.84961       
23.16883  17.12847       24.00026  57.16613 17.91732 44.76997 17.73613 
12.39617       25.21112 
1 1 1 8   7  0  o 133.5824 3.992894 181.5001       10.84647  187.0306       
15.52789  176.2306       15.15727  135.5780 5.632121 131.6048 5.663668 
3.973175       7.987360 
1 1 1 8   7  1  o 263.0296 4.479290 703.7361       23.95881  645.0115       
39.45629  738.0363       30.15468  251.7143 7.708271 269.3350 5.505674 
-17.62074      9.472586 
1 1 1 8   7  2  o 356.7358 5.956748 1294.833       43.21230  1223.280       
59.10614  1376.993       63.33572  346.6220 8.385424 367.7504 8.469233 
-21.12842      11.91819 
1 1 1 8   7  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 8   7  4  o 174.4221 4.987774 309.5015       17.69130  325.3563       
26.81357  297.2787       23.54287  178.7758 7.375552 170.9037 6.774175 
7.872040       10.01440 
1 1 1 8   7  5  o 166.7165 10.49330 284.5447       35.39326  0.000000       
0.000000  284.5447       35.39326  ?        ?        166.7165 10.49330 
0.000000       10.49330 
1 1 1 8   7  6  o 272.8021 5.696539 757.5095       31.60168  750.5276       
40.40949  768.5027       50.70603  271.4461 7.320628 274.5450 9.082276 
-3.098877      11.66531 
1 1 1 8   7  7  o 335.3854 5.470246 1145.208       37.30804  1145.208       
37.30804  0.000000       0.000000  335.3854 5.470246 ?        ?        
0.000000       5.470246 
1 1 1 8   7  8  o 339.7060 4.893879 1174.998       33.80709  1203.373       
48.60095  1148.397       47.05732  343.5375 6.956954 335.6069 6.895168 
7.930634       9.795027 
1 1 1 8   7  9  o 193.6703 5.601014 382.2665       22.05876  386.2790       
31.65821  378.4802       30.75308  194.4466 8.006349 192.4907 7.856469 
1.955856       11.21721 
1 1 1 8   7  10 o 80.49366 10.56292 67.65510       16.87269  79.44966       
24.38117  56.81497       23.37387  86.49468 14.36559 72.50501 16.25466 
13.98967       21.69295 
1 1 1 8   7  11 f 245.3110 5.203559 613.6428       25.95786  597.8570       
36.02621  630.6867       37.43418  241.7911 7.327009 248.3243 7.413064 
-6.533127      10.42298 
1 1 1 8   7  12 o 82.88432 15.22373 73.93806       24.71374  0.000000       
0.000000  73.93806       24.71374  ?        ?        82.88432 15.22373 
0.000000       15.22373 
1 1 1 8   7  13 o 50.41515 20.57580 12.91935       33.34600  12.91935       
33.34600  0.000000       0.000000  50.41515 20.57580 ?        ?        
0.000000       20.57580 
1 1 1 8   7  14 o 54.14165 17.00739 31.11524       20.86225  73.70715       
30.85572  -4.751498      28.31510  81.31094 19.00264 40.55079 17.81480 
40.76015       26.04741 
1 1 1 8   7  15 o 42.88026 16.81661 12.74045       21.37365  -17.19765      
31.36480  38.69651       29.20450  38.90710 17.77455 60.46934 20.21325 
-21.56224      26.91673 
1 1 1 8   7  16 o 82.85811 13.16593 74.17936       21.44184  85.46757       
30.92652  63.73078       29.75413  87.07671 18.05777 74.57881 19.42580 
12.49789       26.52254 
1 1 1 8   7  17 f 74.73955 12.66768 61.13519       18.56539  66.67392       
28.40832  57.00624       24.52787  75.46899 18.62448 70.25785 17.28603 
5.211136       25.41019 
1 1 1 8   7  18 o 61.22345 14.07051 43.03824       17.15046  54.02841       
24.22436  31.99335       24.28459  66.97044 17.56871 52.85351 18.41217 
14.11694       25.44931 
1 1 1 8   8  0  o 478.6993 4.724444 2331.102       45.99017  2266.106       
63.74701  2401.651       66.41481  471.8649 6.643405 485.7662 6.723358 
-13.90134      9.451898 
1 1 1 8   8  1  o 160.7275 4.875331 262.7918       15.93476  324.1330       
28.24630  234.1570       19.29892  178.4362 7.784436 151.6945 6.256217 
26.74174       9.986876 
1 1 1 8   8  2  o 256.1757 3.930251 667.4647       20.47433  629.1470       
40.18134  680.9025       23.79512  248.5978 7.948326 258.7289 4.522635 
-10.13110      9.144950 
1 1 1 8   8  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 8   8  4  o 118.5583 6.236701 143.4403       14.98335  126.4937       
23.19436  155.5769       19.62855  110.9166 10.40496 123.3609 7.865539 
-12.44435      13.04339 
1 1 1 8   8  5  o 50.01279 14.82695 25.92777       16.15852  39.17501       
20.21479  2.484447       26.89157  60.78112 16.09913 43.07648 18.10535 
17.70464       24.22779 
1 1 1 8   8  6  o 166.0118 6.931106 280.6908       23.39877  310.8920       
31.45479  243.2725       35.01200  174.3945 8.899185 153.9330 11.26315 
20.46158       14.35458 
1 1 1 8   8  7  o 205.9452 6.004752 431.9646       25.14769  431.9646       
25.14769  0.000000       0.000000  205.9452 6.004752 ?        ?        
0.000000       6.004752 
1 1 1 8   8  8  o 272.1496 5.638643 754.5316       31.20568  733.8082       
38.78082  792.5964       52.55916  268.2333 7.109725 278.4700 9.281508 
-10.23666      11.69165 
1 1 1 8   8  9  o 244.0506 7.221766 608.0335       35.84056  0.000000       
0.000000  608.0335       35.84056  ?        ?        244.0506 7.221766 
0.000000       7.221766 
1 1 1 8   8  10 o 70.51291 13.78393 53.15356       19.05641  45.57137       
31.94937  57.34059       23.74201  66.00272 21.08337 72.79494 16.42853 
-6.792221      26.72836 
1 1 1 8   8  11 o 67.91477 13.44119 49.41899       17.90612  42.70451       
26.46213  55.09015       24.31948  63.15834 19.03135 71.11270 17.04028 
-7.954361      25.54532 
1 1 1 8   8  12 o 166.0087 6.380593 281.6610       21.53988  270.5027       
30.35021  292.9852       30.57502  161.9724 9.252835 168.6642 8.946395 
-6.691803      12.87062 
1 1 1 8   8  13 o 116.1726 9.900373 140.1650       23.16558  126.2652       
29.13277  164.0672       38.20288  109.2552 13.39304 124.0025 15.48778 
-14.74732      20.47548 
1 1 1 8   8  14 o 48.42505 16.70696 23.07650       19.97148  27.22814       
29.04889  19.35514       27.50239  54.49696 20.00187 49.86784 19.20872 
4.629116       27.73175 
1 1 1 8   8  15 o 144.4651 8.520811 215.7928       24.92117  242.1478       
35.83952  191.1199       34.67694  151.9828 11.68575 134.4944 12.83478 
17.48845       17.35766 
1 1 1 8   8  16 o 94.42613 11.62786 94.85619       21.85592  97.10744       
31.75086  92.82884       30.13064  93.17510 17.39712 91.29901 16.84971 
1.876091       24.21926 
1 1 1 8   8  17 o 67.35907 13.77692 50.57639       18.23483  61.22948       
28.68134  43.34893       23.62406  71.93950 19.23408 61.19992 17.86860 
10.73958       26.25332 
1 1 1 8   8  18 o 102.6838 12.32047 116.2888       25.21284  116.2888       
25.21284  0.000000       0.000000  102.6838 12.32047 ?        ?        
0.000000       12.32047 
1 1 1 8   9  0  o 345.6995 3.990594 1215.538       28.05354  1246.370       
40.25081  1186.413       39.12073  349.9956 5.655364 341.4745 5.633746 
8.521149       7.982621 
1 1 1 8   9  1  o 797.6824 8.058852 6478.133       130.7238  6589.006       
230.2845  6425.419       158.7876  803.3983 14.09556 794.1766 9.832144 
9.221680       17.18592 
1 1 1 8   9  2  o 39.03526 11.96377 15.53148       10.39549  51.09336       
21.97563  5.279606       11.79915  69.34187 15.92081 31.37436 12.43380 
37.96751       20.20078 
1 1 1 8   9  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 8   9  4  o 175.4479 5.377023 313.1967       19.18411  348.2235       
35.22750  298.4296       22.87334  184.6286 9.414043 171.2328 6.568877 
13.39574       11.47930 
1 1 1 8   9  5  o 233.1791 4.937018 553.2311       23.41023  565.6888       
28.09929  524.9644       42.32671  235.7558 5.861130 226.9481 9.171418 
8.807693       10.88429 
1 1 1 8   9  6  o 209.8577 6.230919 448.4236       26.59061  485.4453       
35.81621  402.9576       39.69123  218.2437 8.070239 198.7251 9.821786 
19.51866       12.71205 
1 1 1 8   9  7  o 532.1472 7.662499 2887.477       82.91891  2887.477       
82.91891  0.000000       0.000000  532.1472 7.662499 ?        ?        
0.000000       7.662499 
1 1 1 8   9  8  o 69.90337 19.35355 52.41720       28.44986  0.000000       
0.000000  52.41720       28.44986  ?        ?        69.90337 19.35355 
0.000000       19.35355 
1 1 1 8   9  9  o 225.6727 6.038434 519.3303       27.71116  600.7925       
49.57258  482.3049       33.42051  242.1021 10.06912 217.2998 7.563143 
24.80225       12.59319 
1 1 1 8   9  10 o 204.5351 7.624302 427.7544       31.71169  427.7544       
31.71169  0.000000       0.000000  204.5351 7.624302 ?        ?        
0.000000       7.624302 
1 1 1 8   9  11 f 171.1623 6.009290 299.0868       20.91620  307.5088       
29.56209  290.6443       29.59789  173.2231 8.392241 168.1409 8.686038 
5.082138       12.07795 
1 1 1 8   9  12 o 96.77619 9.548282 97.25741       18.54586  127.2419       
25.97838  66.09308       26.48456  110.2859 11.76512 77.71813 17.21174 
32.56779       20.84855 
1 1 1 8   9  13 o 77.86636 13.58720 65.04114       20.73192  59.42166       
27.58765  72.33234       31.42432  73.20480 18.51851 80.57870 19.40846 
-7.373909      26.82580 
1 1 1 8   9  14 o 96.09419 11.13585 97.01543       21.35734  57.09298       
29.77791  139.3067       30.64860  71.47447 19.80425 114.6471 13.39883 
-43.17258      23.91102 
1 1 1 8   9  15 o 185.5553 7.163579 353.5232       27.03055  407.9055       
39.49442  305.6018       37.07420  198.4820 9.785053 171.1857 10.70383 
27.29630       14.50239 
1 1 1 8   9  16 o 47.52352 16.89805 22.18673       20.53157  26.81072       
29.96929  18.09698       28.18484  53.73992 20.20330 48.85299 19.26248 
4.886932       27.91445 
1 1 1 8   9  17 o 218.6820 12.47231 513.9613       55.23419  513.9613       
55.23419  0.000000       0.000000  218.6820 12.47231 ?        ?        
0.000000       12.47231 
1 1 1 8   9  18 o 35.51500 14.45989 7.969646       16.41903  19.04436       
23.14251  -3.254662      23.29829  45.09565 17.55022 35.56435 15.86310 
9.531300       23.65689 
1 1 1 8   10 0  o 318.5306 3.889720 1031.960       25.19538  1013.671       
35.27468  1051.008       35.99966  315.6451 5.495569 321.4053 5.508001 
-5.760254      7.780704 
1 1 1 8   10 1  o 80.10980 6.492312 65.73591       10.48540  79.05678       
23.16977  62.30521       11.75835  86.99865 13.53670 77.87488 7.518504 
9.123772       15.48452 
1 1 1 8   10 2  o 371.2520 4.974831 1402.087       37.55766  1465.631       
67.56844  1373.676       45.18023  379.3736 8.758413 367.4277 6.046794 
11.94589       10.64300 
1 1 1 8   10 3  o 89.19990 7.745425 81.61412       13.91004  91.50466       
26.59858  77.89091       16.31951  93.57787 14.44250 86.94039 9.379233 
6.637482       17.22079 
1 1 1 8   10 4  o 631.8538 8.320682 4066.364       106.9121  4045.561       
151.0268  4087.261       151.3669  629.6861 11.79447 632.9294 11.76046 
-3.243286      16.65587 
1 1 1 8   10 5  o 393.5645 4.855486 1576.031       38.85975  1565.931       
45.63635  1602.666       74.11166  392.2467 5.721372 396.5092 9.191404 
-4.262451      10.82663 
1 1 1 8   10 6  o 310.8623 5.454839 983.6873       34.48272  960.1140       
43.81277  1022.058       55.89743  306.9994 7.017974 316.5884 8.682513 
-9.589050      11.16414 
1 1 1 8   10 7  o 114.2242 9.142868 134.0672       21.05894  163.3646       
28.62872  99.52335       31.08654  125.8488 11.30737 97.00420 16.33979 
28.84458       19.87072 
1 1 1 8   10 8  o 445.9150 5.909430 2026.429       53.58572  2022.621       
66.67452  2033.375       90.05296  445.2112 7.364486 445.7380 9.934978 
-0.5268555     12.36687 
1 1 1 8   10 9  o 245.4218 5.842781 614.1549       29.15978  628.2930       
50.35713  607.0228       35.76635  247.5555 10.00315 243.8119 7.213870 
3.743576       12.33300 
1 1 1 8   10 10 o 224.6315 5.227563 514.4540       23.87930  492.1731       
33.51412  537.4298       34.03270  219.3956 7.511877 229.2968 7.298725 
-9.901184      10.47376 
1 1 1 8   10 11 o 207.3132 5.541830 438.5443       23.36316  435.6019       
32.80980  441.5710       33.27612  206.2550 7.822540 207.6525 7.880324 
-1.397552      11.10368 
1 1 1 8   10 12 o 205.9360 5.735279 433.1076       24.01807  467.4698       
34.08883  399.2335       33.84584  213.5406 7.850192 197.2152 8.439439 
16.32541       11.52604 
1 1 1 8   10 13 o 175.7023 7.166440 316.3688       25.60544  313.8051       
32.80275  320.3672       40.96571  174.2879 9.288832 175.3578 11.55269 
-1.069931      14.82387 
1 1 1 8   10 14 o 61.94279 16.18879 42.21754       20.61887  79.71392       
29.58442  6.800710       28.75234  84.91267 17.70665 45.02203 18.80873 
39.89064       25.83203 
1 1 1 8   10 15 o 60.21888 17.18612 40.10106       22.08277  16.82203       
32.15737  60.87521       30.37804  50.78703 20.39314 73.28770 19.87969 
-22.50068      28.47951 
1 1 1 8   10 16 o 40.71688 16.20793 10.97048       20.13141  -34.53387      
29.09520  52.76407       27.88365  32.69235 15.61351 67.78505 19.30032 
-35.09270      24.82507 
1 1 1 8   10 17 o 63.86507 16.24367 47.06742       21.14507  28.56054       
39.81967  54.33553       24.95410  56.43392 22.68159 68.02806 17.82424 
-11.59414      28.84716 
1 1 1 8   10 18 o 91.26317 14.08514 94.79207       25.29880  94.79207       
25.29880  0.000000       0.000000  91.26317 14.08514 ?        ?        
0.000000       14.08514 
1 1 1 8   11 0  o 411.3770 5.079115 1721.611       42.48929  1761.001       
76.12917  1703.790       51.20675  415.8169 9.003213 409.1908 6.153893 
6.626099       10.90542 
1 1 1 8   11 1  o 602.8242 5.592934 3697.237       68.56173  3651.314       
137.3890  3712.465       79.11737  598.4879 11.28873 604.0021 6.441425 
-5.514221      12.99720 
1 1 1 8   11 2  o 691.4844 7.212000 4866.882       101.4120  4756.931       
172.9984  4924.446       125.1746  682.9049 12.45748 695.3734 8.852108 
-12.46851      15.28230 
1 1 1 8   11 3  o 162.6640 4.647003 269.1625       15.37148  229.8035       
32.56855  280.4429       17.43564  149.7590 10.76618 166.0281 5.164221 
-16.26910      11.94068 
1 1 1 8   11 4  o 515.2503 7.324810 2703.159       76.74782  2586.122       
106.3111  2830.542       110.9105  503.6142 10.38076 526.8800 10.35165 
-23.26578      14.66005 
1 1 1 8   11 5  o 58.78790 13.95941 36.77604       16.43936  42.10454       
20.82343  27.96102       26.78311  62.90556 16.18494 55.28301 19.33177 
7.622551       25.21249 
1 1 1 8   11 6  o 389.2428 5.531394 1542.441       43.78311  1547.480       
55.20509  1533.898       71.88251  389.7347 6.965601 387.7455 9.116437 
1.989258       11.47297 
1 1 1 8   11 7  f 536.0569 6.395482 2928.203       69.71650  3068.552       
89.30994  2709.274       111.5438  548.4102 8.008347 514.6215 10.65874 
33.78864       13.33201 
1 1 1 8   11 8  o 119.3043 6.930544 145.6920       16.74168  131.3331       
19.43534  186.9916       32.96128  113.0503 8.516689 134.3822 12.19456 
-21.33198      14.87418 
1 1 1 8   11 9  o 135.5721 6.611745 187.5865       18.22795  188.7293       
22.19304  185.2175       31.95398  135.6212 8.083782 133.6459 11.88150 
1.975357       14.37072 
1 1 1 8   11 10 o 316.3563 6.925681 1022.633       44.55438  1022.633       
44.55438  0.000000       0.000000  316.3563 6.925681 ?        ?        
0.000000       6.925681 
1 1 1 8   11 11 o 127.2993 8.610596 166.9621       22.15896  167.2471       
39.21703  166.8283       26.85714  125.5346 15.70618 126.8435 10.50674 
-1.308891      18.89645 
1 1 1 8   11 12 o 57.01133 15.22951 35.29079       17.99110  44.36688       
25.69609  26.56330       25.19776  63.81903 18.63645 52.83974 18.72732 
10.97929       26.42025 
1 1 1 8   11 13 o 167.1550 6.928771 286.2449       23.55195  285.2467       
32.63824  287.3294       34.01968  165.9918 9.711478 166.4794 10.09661 
-0.4876556     14.00908 
1 1 1 8   11 14 o 35.73059 15.37428 -0.3168971     20.18872  6.757028       
29.01160  -6.958905      28.11196  45.13707 18.87819 39.58715 17.55445 
5.549915       25.77876 
1 1 1 8   11 15 o 35.58091 15.67272 -4.243893      22.04437  27.74757       
39.05516  -19.20167      26.70515  58.18772 22.75628 34.67564 16.04325 
23.51208       27.84303 
1 1 1 8   11 16 o 48.48729 16.77115 24.11985       20.13144  2.408531       
30.36462  41.14801       26.89111  43.61857 18.81131 60.55788 19.34236 
-16.93932      26.98133 
1 1 1 8   11 17 o 76.48994 24.51999 75.33839       43.18467  75.33839       
43.18467  0.000000       0.000000  76.48994 24.51999 ?        ?        
0.000000       24.51999 
1 1 1 8   11 18 o 30.26249 13.34582 -1.662520      16.03107  12.37378       
22.51136  -16.10508      22.83482  41.25647 16.87959 31.07547 14.53137 
10.18101       22.27288 
1 1 1 8   12 0  o 538.9988 5.988252 2956.103       65.63558  3062.859       
118.3908  2908.731       78.86504  548.2089 10.61990 534.5698 7.254854 
13.63910       12.86138 
1 1 1 8   12 1  o 97.47841 5.729915 97.01270       11.30821  67.87540       
23.58870  105.7070       12.88536  80.23515 15.00907 101.7298 6.259067 
-21.49467      16.26186 
1 1 1 8   12 2  o 255.1653 8.434422 663.0112       43.76514  663.0112       
43.76514  0.000000       0.000000  255.1653 8.434422 ?        ?        
0.000000       8.434422 
1 1 1 8   12 3  o 96.57330 15.68960 97.79368       29.75446  97.79368       
29.75446  0.000000       0.000000  96.57330 15.68960 ?        ?        
0.000000       15.68960 
1 1 1 8   12 4  f 148.2815 6.065329 223.7905       18.28912  230.0113       
22.95264  212.9718       30.26911  150.2871 7.510339 144.1384 10.39666 
6.148712       12.82559 
1 1 1 8   12 5  o 511.2773 5.305499 2660.441       55.16127  2727.050       
65.60566  2499.760       101.8967  517.5431 6.233664 494.9672 10.12354 
22.57593       11.88884 
1 1 1 8   12 6  o 118.6293 7.140090 143.9262       17.14428  110.5359       
20.89579  212.6980       29.98845  103.5549 10.04938 143.9331 10.31408 
-40.37816      14.40036 
1 1 1 8   12 7  o 100.6715 8.113612 104.0994       16.46909  125.1102       
20.34220  64.12891       28.05737  110.2874 9.152988 77.17953 18.17693 
33.10789       20.35136 
1 1 1 8   12 8  o 158.0540 5.605375 254.5844       18.01613  243.5396       
21.28539  282.4857       33.83091  154.5056 6.774634 165.7647 10.08415 
-11.25903      12.14849 
1 1 1 8   12 9  o 338.4087 5.288693 1167.348       36.39497  1164.509       
44.42923  1173.139       63.45506  337.7860 6.468086 338.3782 9.221731 
-0.5922241     11.26395 
1 1 1 8   12 10 o 308.3094 4.988056 969.0569       31.27300  985.9305       
44.17853  952.1094       44.27503  310.5840 6.994887 305.1785 7.134336 
5.405548       9.991356 
1 1 1 8   12 11 o 256.4836 5.969365 671.8033       31.13431  665.2308       
53.59638  675.1509       38.24983  254.1077 10.37209 256.8386 7.323483 
-2.730957      12.69699 
1 1 1 8   12 12 o 96.67136 9.906429 97.31194       19.19947  87.88020       
27.43403  106.3657       26.87879  90.28654 15.50055 100.1425 13.54666 
-9.856003      20.58589 
1 1 1 8   12 13 o 217.4608 5.953760 483.5841       26.32836  481.0319       
37.06568  486.1832       37.40448  216.2669 8.428116 217.4123 8.460344 
-1.145416      11.94197 
1 1 1 8   12 14 o 112.1165 9.743709 130.8948       21.99404  149.5527       
31.73854  113.6573       30.50658  118.7243 13.37932 102.7263 15.04996 
15.99803       20.13722 
1 1 1 8   12 15 o 38.22594 16.31531 1.734016       22.40642  52.01837       
40.73647  -20.07770      26.82946  68.95891 23.85679 34.50137 16.00414 
34.45754       28.72767 
1 1 1 8   12 16 o 181.9443 10.06014 347.1050       37.07695  347.1050       
37.07695  0.000000       0.000000  181.9443 10.06014 ?        ?        
0.000000       10.06014 
1 1 1 8   12 17 o 35.64399 15.26174 2.561228       19.71875  -45.38869      
39.28894  18.70642       22.79806  36.83738 17.73675 45.43870 17.49276 
-8.601315      24.91162 
1 1 1 8   12 18 o 28.94445 13.37832 -10.84411      18.50210  -1.000598      
23.40958  -27.22730      30.20075  36.15903 16.02743 33.65608 16.02760 
2.502953       22.66633 
1 1 1 8   13 0  o 472.0112 5.499176 2266.722       52.78387  2262.890       
93.01163  2268.543       64.10672  471.2998 9.704844 472.1305 6.677135 
-0.8306885     11.77999 
1 1 1 8   13 1  o 291.8736 3.944006 866.4683       23.40905  943.4467       
50.84716  845.7645       26.36981  304.3975 8.214368 288.3513 4.497112 
16.04617       9.364820 
1 1 1 8   13 2  o 380.4298 8.996488 1474.177       69.59834  1474.177       
69.59834  0.000000       0.000000  380.4298 8.996488 ?        ?        
0.000000       8.996488 
1 1 1 8   13 3  o 644.9006 6.838882 4233.676       89.68697  4286.004       
159.1975  4209.346       108.5529  648.0672 12.07994 642.8658 8.303661 
5.201355       14.65864 
1 1 1 8   13 4  o 407.6136 4.819628 1690.518       39.94971  1679.706       
46.95749  1718.850       76.01521  406.2531 5.684035 410.6501 9.102844 
-4.397034      10.73173 
1 1 1 8   13 5  o 88.54263 10.72373 81.20627       18.91481  126.4684       
27.86974  42.55401       25.75447  110.4972 12.63000 63.72149 18.67182 
46.77568       22.54227 
1 1 1 8   13 6  o 134.8654 6.386509 185.2935       17.51521  187.1273       
21.37333  181.5439       30.56250  135.2434 7.804662 132.7299 11.43479 
2.513519       13.84439 
1 1 1 8   13 7  o 70.15839 11.17601 51.65334       15.40982  58.73486       
18.77560  37.03848       26.97292  74.60271 12.83931 60.32246 19.38281 
14.28025       23.24955 
1 1 1 8   13 8  o 43.09308 14.31544 18.23072       14.65418  20.78361       
17.10331  11.18222       28.41925  46.13526 15.46839 47.39985 19.12247 
-1.264595      24.59553 
1 1 1 8   13 9  o 190.8762 5.615187 371.5511       21.79553  402.5052       
26.70723  309.8268       37.71354  198.5538 6.614534 173.2932 10.75510 
25.26060       12.62633 
1 1 1 8   13 10 o 225.0988 5.320898 516.8093       24.35620  519.6951       
35.09715  514.1286       33.82765  225.3484 7.658892 224.1828 7.420242 
1.165619       10.66389 
1 1 1 8   13 11 o 105.7910 9.902119 116.1848       21.05457  129.5219       
37.67606  110.1283       25.38895  109.5427 17.50257 102.3565 12.45439 
7.186203       21.48143 
1 1 1 8   13 12 o 153.4245 9.471503 243.3938       29.40600  0.000000       
0.000000  243.3938       29.40600  ?        ?        153.4245 9.471503 
0.000000       9.471503 
1 1 1 8   13 13 o 254.3204 5.614297 661.0910       29.03541  631.3470       
40.07252  693.9665       42.12918  247.8827 7.949668 259.8775 7.971920 
-11.99480      11.25827 
1 1 1 8   13 14 o 42.64392 16.43440 13.72748       20.13966  17.96600       
29.56383  10.05730       27.51045  50.09063 19.73520 45.46609 18.63758 
4.624542       27.14475 
1 1 1 8   13 15 o 65.75549 17.07884 48.48987       23.04174  49.99080       
42.52602  47.86611       27.41464  68.18877 24.31157 65.19765 19.30900 
2.991112       31.04658 
1 1 1 8   13 16 o 82.85526 12.42803 74.34370       20.29400  120.5980       
32.62931  45.16336       25.91655  104.1684 15.90804 62.70361 18.82061 
41.46484       24.64307 
1 1 1 8   13 17 o 61.98890 14.69250 44.10257       18.23813  31.02263       
28.62885  53.03674       23.66071  53.60275 19.82559 66.90519 17.27228 
-13.30244      26.29421 
1 1 1 8   13 18 o 119.8035 8.753344 153.1252       21.17768  129.7053       
25.10623  210.8919       39.43014  108.3360 11.57530 135.4420 14.54379 
-27.10603      18.58788 
1 1 1 8   14 0  o 360.2250 4.822307 1320.024       35.32484  1412.082       
65.57811  1282.393       41.92769  372.3716 8.660260 355.0142 5.807696 
17.35742       10.42734 
1 1 1 8   14 1  o 79.19950 6.658027 64.28954       10.62359  98.02534       
24.82047  56.72301       11.75474  97.17394 12.87779 74.22168 7.909957 
22.95226       15.11307 
1 1 1 8   14 2  o 605.9251 5.662054 3735.814       69.76609  3882.743       
145.9702  3692.313       79.42511  616.9804 11.63433 602.3166 6.484576 
14.66382       13.31943 
1 1 1 8   14 3  o 332.5082 9.153010 1126.692       61.88961  1126.692       
61.88961  0.000000       0.000000  332.5082 9.153010 ?        ?        
0.000000       9.153010 
1 1 1 8   14 4  o 251.9513 4.729185 645.9006       24.23005  626.5482       
29.27192  688.0202       43.18422  248.1033 5.801859 259.8519 8.172366 
-11.74858      10.02243 
1 1 1 8   14 5  o 645.8021 7.036458 4248.849       92.40702  4261.238       
114.5398  4225.754       156.3918  646.4054 8.713650 642.8559 11.96324 
3.549500       14.80023 
1 1 1 8   14 6  o 309.9150 4.629129 977.6472       29.17382  986.3031       
34.64051  956.5290       54.10733  311.2162 5.473570 306.1267 8.691674 
5.089417       10.27157 
1 1 1 8   14 7  o 80.34184 9.644985 66.96198       15.44283  82.44736       
18.84581  35.31258       26.94242  89.10425 10.60932 59.24060 19.39788 
29.86365       22.10962 
1 1 1 8   14 8  f 156.4949 6.582756 249.8985       20.94881  249.8985       
20.94881  0.000000       0.000000  156.4949 6.582756 ?        ?        
0.000000       6.582756 
1 1 1 8   14 9  o 64.92784 12.00840 44.80708       15.27107  19.53523       
18.29545  102.8612       27.72943  45.69567 15.97773 98.64174 14.23588 
-52.94606      21.39972 
1 1 1 8   14 10 o 163.5974 5.457022 273.0640       18.15447  294.2016       
21.61968  222.5172       33.43238  169.7190 6.264226 146.4391 11.31465 
23.27989       12.93297 
1 1 1 8   14 11 o 193.0675 6.520223 381.1394       25.59900  368.9751       
44.89668  386.9989       31.16043  188.4225 11.77643 194.2936 7.886667 
-5.871109      14.17335 
1 1 1 8   14 12 o 63.30692 14.52858 43.65533       18.30727  52.67884       
25.52538  34.09656       26.27153  69.01768 17.99989 57.42709 19.17154 
11.59058       26.29722 
1 1 1 8   14 13 o 69.31908 14.16721 52.22714       19.29615  72.68439       
27.72906  33.01920       26.86902  81.09125 17.34054 56.78077 19.38617 
24.31047       26.00996 
1 1 1 8   14 14 o 39.40467 16.09670 7.331858       20.43143  38.69365       
30.35326  -18.65020      27.62750  60.64040 20.60530 35.62916 16.42582 
25.01124       26.35120 
1 1 1 8   14 15 o 47.47216 17.54200 20.58317       22.40328  46.63433       
41.07127  9.548657       26.73013  66.22709 23.86232 44.39133 18.30437 
21.83576       30.07424 
1 1 1 8   14 16 o 138.3109 7.791695 198.7732       21.82565  173.5671       
34.20126  216.0904       28.34834  126.5191 13.50191 143.3587 9.782589 
-16.83956      16.67335 
1 1 1 8   14 17 o 40.55027 15.30270 15.20914       17.22858  13.28439       
26.29268  16.65740       22.80716  44.16631 18.17598 44.06449 17.34253 
0.1018219      25.12229 
1 1 1 8   14 18 f 35.20086 15.01878 4.684060       18.97445  0.4114851      
23.26347  13.17523       32.79543  36.32682 16.04562 45.69203 19.62619 
-9.365208      25.35052 
1 1 1 8   15 0  o 649.3361 5.904624 4290.306       77.96743  4322.275       
159.1110  4280.204       89.44176  650.9793 12.01937 648.4930 6.782403 
2.486267       13.80095 
1 1 1 8   15 1  o 92.12220 7.180191 86.91158       13.34468  82.64691       
25.93389  88.44743       15.56320  88.74573 14.89836 92.82247 8.333867 
-4.076744      17.07086 
1 1 1 8   15 2  o 225.0843 4.665337 515.4048       21.35402  480.0118       
40.96626  528.6093       25.02232  217.0435 9.281713 227.9282 5.398561 
-10.88469      10.73753 
1 1 1 8   15 3  f 618.2921 6.763420 3892.101       85.03770  3928.142       
149.7655  3874.952       103.3061  620.2943 11.87306 616.7313 8.237179 
3.562988       14.45062 
1 1 1 8   15 4  o 256.2097 4.712619 667.9547       24.55327  638.1462       
29.46098  735.7458       44.42864  250.3786 5.786267 268.6926 8.131224 
-18.31395      9.979864 
1 1 1 8   15 5  o 353.7467 5.422093 1273.964       39.00414  1270.850       
49.68673  1278.964       62.96127  353.1735 6.918323 354.0812 8.744183 
-0.9076538     11.15006 
1 1 1 8   15 6  f 69.73876 11.59698 51.12214       15.86883  25.92348       
19.75992  96.89359       26.63139  50.97742 16.60838 96.12106 14.03861 
-45.14364      21.74674 
1 1 1 8   15 7  o 207.4675 4.922751 438.3924       20.76870  457.2164       
25.05784  397.0834       37.12012  211.8033 5.817811 197.0244 9.264839 
14.77887       10.94003 
1 1 1 8   15 8  f 259.1179 7.030822 685.6174       37.04716  685.6174       
37.04716  0.000000       0.000000  259.1179 7.030822 ?        ?        
0.000000       7.030822 
1 1 1 8   15 9  o 314.3828 4.629004 1007.184       29.59360  1022.215       
34.62679  966.4605       56.99697  316.5964 5.378422 306.9732 9.130612 
9.623169       10.59696 
1 1 1 8   15 10 f 86.22880 8.789025 77.07156       15.19604  84.25096       
18.25735  60.88330       27.41535  89.91980 10.16298 74.47666 18.24560 
15.44314       20.88512 
1 1 1 8   15 11 o 96.91323 9.442834 97.55408       18.37319  78.33059       
27.12321  113.8551       24.97656  84.93178 16.29706 104.1363 12.01495 
-19.20454      20.24730 
1 1 1 8   15 12 o 101.6842 9.916742 107.7389       20.24468  81.38777       
26.59635  144.0389       31.21590  86.59570 15.68071 116.6667 13.40088 
-30.07102      20.62688 
1 1 1 8   15 13 o 83.98878 11.99453 74.90907       19.90405  72.42235       
28.93866  77.14162       27.41986  80.64684 18.09115 83.75230 16.68567 
-3.105461      24.61100 
1 1 1 8   15 14 o 79.15083 14.43857 68.13655       22.38341  91.84524       
32.46856  46.66390       30.89954  90.73379 18.22986 65.04078 20.72965 
25.69301       27.60518 
1 1 1 8   15 15 o 69.43723 16.30618 54.08922       22.63200  11.77635       
39.62448  74.57616       27.57185  52.09164 21.94039 81.43974 17.18856 
-29.34809      27.87162 
1 1 1 8   15 16 o 41.27261 15.73067 14.54492       18.31991  -19.05028      
28.32899  38.69330       24.01798  35.34575 16.41313 58.19843 18.24301 
-22.85268      24.53972 
1 1 1 8   15 17 f 77.90998 11.52999 66.71270       17.71562  45.05475       
26.59648  83.98509       23.75154  60.73457 19.21893 86.14646 14.04200 
-25.41189      23.80221 
1 1 1 8   15 18 f 34.33492 14.90714 2.433049       19.32676  -1.498874      
23.77955  10.08462       33.17235  35.84606 16.00470 44.56750 19.43795 
-8.721439      25.17904 
1 1 1 8   16 0  o 187.2263 4.665624 356.5893       17.76348  380.2440       
34.58849  348.1153       20.70215  193.2151 8.803167 184.9705 5.503786 
8.244629       10.38207 
1 1 1 8   16 1  o 362.3662 4.946149 1335.897       36.44738  1462.389       
68.38711  1285.713       43.07476  378.8863 8.875932 355.4476 5.959309 
23.43869       10.69091 
1 1 1 8   16 2  o 392.6064 9.465105 1571.042       75.56736  1571.042       
75.56736  0.000000       0.000000  392.6064 9.465105 ?        ?        
0.000000       9.465105 
1 1 1 8   16 3  o 494.9791 10.45858 2499.682       105.2716  2499.682       
105.2716  0.000000       0.000000  494.9791 10.45858 ?        ?        
0.000000       10.45858 
1 1 1 8   16 4  o 85.60335 9.479280 75.66787       16.22428  74.25020       
21.00705  77.76351       25.54091  84.28487 12.64669 85.83798 15.18777 
-1.553116      19.76379 
1 1 1 8   16 5  o 216.9613 4.918394 479.1616       21.69986  467.0716       
26.26983  505.1308       38.50117  214.1450 6.032508 222.5101 8.508887 
-8.365082      10.43036 
1 1 1 8   16 6  o 202.1908 5.033884 416.2995       20.69741  399.0209       
24.83639  455.5744       37.44477  197.8746 6.172301 211.1923 8.718901 
-13.31772      10.68253 
1 1 1 8   16 7  o 69.47976 10.66493 50.62421       14.58699  53.12063       
17.66586  45.27501       25.85953  70.80287 12.73803 65.06248 18.60795 
5.740395       22.55024 
1 1 1 8   16 8  o 48.34583 15.23995 24.02873       16.73612  24.02873       
16.73612  0.000000       0.000000  48.34583 15.23995 ?        ?        
0.000000       15.23995 
1 1 1 8   16 9  o 132.4623 6.035982 179.1184       16.25891  168.5735       
19.22026  205.6499       30.48733  128.1651 7.406157 140.9391 10.71773 
-12.77402      13.02770 
1 1 1 8   16 10 o 296.6539 4.665879 897.2441       28.14718  904.8697       
33.06242  877.1633       53.65218  297.7614 5.460279 292.2211 9.028685 
5.540344       10.55139 
1 1 1 8   16 11 o 246.1251 4.836691 618.0184       24.20782  631.1161       
28.66721  585.4663       45.19376  248.5623 5.671511 238.4664 9.319655 
10.09589       10.90972 
1 1 1 8   16 12 o 43.24878 16.12159 15.73494       19.00394  12.65574       
25.89797  19.32736       27.97309  45.76641 18.32793 50.07295 19.34860 
-4.306538      26.65110 
1 1 1 8   16 13 o 39.35240 15.71290 9.225018       18.97381  -1.078024      
26.24764  20.50133       27.45940  40.17992 17.40857 50.22598 19.23131 
-10.04606      25.94035 
1 1 1 8   16 14 o 92.83136 15.39409 93.95793       28.04214  118.7417       
32.03189  12.64550       58.01992  104.5299 15.54221 60.95339 26.14088 
43.57653       30.41227 
1 1 1 8   16 15 o 35.88039 15.69350 -2.217882      21.75981  3.072517       
40.06044  -4.432005      25.91627  49.40871 21.45693 38.28690 16.92235 
11.12181       27.32702 
1 1 1 8   16 16 o 64.96633 14.39148 47.58319       18.51201  7.150817       
29.32042  74.38428       23.87160  44.04086 18.72702 81.35713 14.98094 
-37.31627      23.98186 
1 1 1 8   16 17 o 52.50322 14.86927 32.14419       16.59594  29.92971       
24.55853  34.00543       22.51483  51.40028 18.45922 53.63657 17.74074 
-2.236290      25.60228 
1 1 1 8   17 0  f 765.6027 6.735403 5966.211       104.8621  5955.381       
211.8312  5969.726       120.6868  763.6270 13.64135 765.6939 7.750918 
-2.066956      15.68958 
1 1 1 8   17 1  o 238.8618 4.824787 580.4672       23.43561  583.5143       
43.00812  579.1804       27.94965  239.3173 8.837407 238.5661 5.761243 
0.7512360      10.54949 
1 1 1 8   17 2  o 260.1769 9.254128 690.0034       48.96162  690.0034       
48.96162  0.000000       0.000000  260.1769 9.254128 ?        ?        
0.000000       9.254128 
1 1 1 8   17 3  o 188.4970 5.596097 361.6564       21.45068  395.1718       
40.68026  348.7487       25.24562  196.5296 10.21419 185.0593 6.708471 
11.47023       12.22020 
1 1 1 8   17 4  o 346.0771 5.335714 1219.209       37.55060  1175.186       
47.66124  1291.260       60.97376  339.6372 6.900787 355.8437 8.426209 
-16.20648      10.89137 
1 1 1 8   17 5  o 287.6504 5.317474 842.5367       31.10440  833.2344       
40.49870  855.9162       48.56963  285.9079 6.965679 289.6270 8.246588 
-3.719147      10.79476 
1 1 1 8   17 6  o 166.0080 5.488589 280.7613       18.52854  272.7335       
22.51703  297.5958       32.60731  163.5333 6.771012 170.3248 9.451355 
-6.791504      11.62647 
1 1 1 8   17 7  f 218.4296 4.769926 486.0152       21.18724  472.1940       
25.02332  521.0149       39.82037  215.2142 5.717714 225.6755 8.676998 
-10.46124      10.39147 
1 1 1 8   17 8  o 283.6888 5.358620 820.6052       30.91338  820.6052       
30.91338  0.000000       0.000000  283.6888 5.358620 ?        ?        
0.000000       5.358620 
1 1 1 8   17 9  o 264.5386 4.643064 713.3149       24.97728  748.7925       
29.73563  628.2996       46.03085  270.9190 5.397422 247.3885 9.149935 
23.53043       10.62325 
1 1 1 8   17 10 o 85.37753 9.227529 75.79084       15.76585  79.53932       
18.89206  67.19141       28.61452  87.11913 10.90260 78.10114 18.33134 
9.017998       21.32850 
1 1 1 8   17 11 o 61.76664 12.29437 40.99895       14.89931  46.76620       
18.05114  28.67142       26.39117  65.68690 13.94485 54.35855 19.17637 
11.32835       23.71059 
1 1 1 8   17 12 o 60.73195 16.03701 40.56241       20.09880  21.93472       
27.10067  63.33163       29.96226  50.86300 19.19304 75.11403 19.45888 
-24.25103      27.33168 
1 1 1 8   17 13 o 62.49379 15.13531 42.99832       19.03031  57.78279       
28.39352  30.94028       25.64216  71.65910 19.12749 55.04475 18.93425 
16.61435       26.91406 
1 1 1 8   17 14 o 116.2681 12.74639 143.7861       29.64287  151.5471       
34.02445  119.3398       60.38622  118.7039 14.38935 98.21124 28.53761 
20.49263       31.96011 
1 1 1 8   17 15 o 39.24257 16.45750 5.320684       22.13964  -32.62668      
39.18850  23.11033       26.83191  39.96669 18.79935 50.41112 19.07955 
-10.44443      26.78516 
1 1 1 8   17 16 o 84.32165 11.59944 77.14172       19.36305  60.22149       
32.10060  86.81933       24.27693  70.20123 20.91780 88.36082 13.97572 
-18.15959      25.15701 
1 1 1 8   17 17 f 65.94034 13.14278 49.60695       17.00483  21.38209       
25.20582  73.18393       23.03716  46.75618 18.28265 79.39024 14.81446 
-32.63406      23.53133 
1 1 1 8   18 0  o 240.7939 4.535126 589.8506       22.20681  564.7863       
40.32952  600.7568       26.60306  235.4700 8.422402 242.9835 5.383979 
-7.513489      9.996203 
1 1 1 8   18 1  o 470.3177 6.744616 2251.980       64.50598  2232.623       
94.20567  2269.068       88.51087  467.9438 9.899927 471.8338 9.224783 
-3.890045      13.53164 
1 1 1 8   18 2  o 192.3733 4.462125 376.5212       17.45573  359.8766       
39.98943  380.4391       19.40172  187.5060 10.53029 193.3578 4.934317 
-5.851837      11.62903 
1 1 1 8   18 3  o 367.8080 5.192145 1376.908       38.83465  1380.231       
69.44227  1375.396       46.84472  367.8415 9.283501 367.5207 6.267978 
0.3208008      11.20138 
1 1 1 8   18 4  o 299.5910 5.294617 913.7686       32.25631  909.8193       
42.46123  919.1577       49.60110  298.8008 6.988106 300.2124 8.124773 
-1.411652      10.71660 
1 1 1 8   18 5  o 285.8584 4.554443 831.8382       26.47511  825.9029       
31.72649  845.4499       48.04579  284.7613 5.478854 287.8040 8.209316 
-3.042786      9.869687 
1 1 1 8   18 6  o 169.5831 6.217228 293.2179       21.44030  270.1762       
28.63572  322.6141       32.34418  162.3387 8.706046 177.3884 8.995865 
-15.04974      12.51882 
1 1 1 8   18 7  o 399.2101 4.740597 1623.611       38.48450  1639.374       
45.08888  1581.313       73.85934  401.0007 5.529335 392.8911 9.244466 
8.109619       10.77189 
1 1 1 8   18 8  o 31.06548 13.54159 -2.711322      16.07969  -2.711322      
16.07969  0.000000       0.000000  31.06548 13.54159 ?        ?        
0.000000       13.54159 
1 1 1 8   18 9  o 159.3319 5.396548 259.0396       17.48518  251.7990       
20.46183  278.6375       33.66373  156.9752 6.410056 164.2172 10.13019 
-7.242004      11.98790 
1 1 1 8   18 10 o 75.06198 10.84227 59.35972       16.07006  56.52192       
19.56330  65.24722       28.17842  72.48934 13.77499 76.88379 18.28922 
-4.394447      22.89642 
1 1 1 8   18 11 o 166.5699 5.564479 283.5011       18.84831  286.9450       
22.48226  275.3551       34.57702  167.4106 6.603978 162.8181 10.49916 
4.592422       12.40342 
1 1 1 8   18 12 o 33.24935 13.81203 3.428467       15.38041  -2.590274      
18.17167  18.63127       28.88043  32.92446 14.37253 50.07319 19.57267 
-17.14873      24.28289 
1 1 1 8   18 13 o 149.1916 7.709482 229.5519       23.30959  221.1747       
33.54458  237.3739       32.41396  145.2070 11.45311 150.7709 10.64045 
-5.563873      15.63307 
1 1 1 8   18 14 o 85.38252 16.95610 81.29357       28.40241  71.72854       
33.04002  108.3726       55.59222  78.85165 20.43716 93.79971 27.41757 
-14.94805      34.19650 
1 1 1 8   18 15 o 32.45980 14.81573 -11.31997      21.72983  28.75390       
40.89874  -27.08170      25.64964  57.86663 23.08062 31.45060 14.91749 
26.41603       27.48175 
1 1 1 8   18 16 o 109.6858 20.69330 146.1945       44.46396  146.1945       
44.46396  0.000000       0.000000  109.6858 20.69330 ?        ?        
0.000000       20.69330 
1 1 1 8   18 17 o 74.12120 11.60607 61.25055       16.91952  64.76106       
24.87586  58.22847       23.08050  72.77259 17.09946 69.23647 16.60667 
3.536125       23.83638 
1 1 1 8   19 0  o 617.0536 5.692002 3874.922       71.42321  3939.489       
147.8265  3855.259       81.57670  621.2610 11.70110 615.3987 6.518657 
5.862366       13.39435 
1 1 1 8   19 1  o 610.0997 11.62594 3800.575       144.2382  3800.575       
144.2382  0.000000       0.000000  610.0997 11.62594 ?        ?        
0.000000       11.62594 
1 1 1 8   19 2  o 255.4412 4.138278 663.8457       21.49621  562.1647       
44.43306  694.9164       24.56191  234.7765 9.306795 261.3311 4.621891 
-26.55455      10.39126 
1 1 1 8   19 3  o 131.1033 6.600992 175.5221       17.54207  185.0480       
32.79394  171.7038       20.76221  133.9504 12.17207 129.5406 7.919672 
4.409790       14.52173 
1 1 1 8   19 4  o 166.8084 6.348588 283.4979       21.53508  278.2228       
30.38943  288.8189       30.52142  164.8225 9.102087 167.9586 8.968603 
-3.136047      12.77826 
1 1 1 8   19 5  o 182.1972 5.104142 338.0810       18.91106  353.0382       
23.77453  312.3145       31.20424  186.1050 6.282067 174.6120 8.816468 
11.49297       10.82564 
1 1 1 8   19 6  o 69.11945 10.56873 50.09859       14.38307  49.74374       
17.72914  50.78179       24.60011  68.35458 13.23287 68.55724 17.56597 
-0.2026596     21.99255 
1 1 1 8   19 7  o 27.65963 12.09121 -2.652080      12.90100  3.024975       
15.78159  -14.08796      22.39876  33.68131 13.99120 32.93607 15.03659 
0.7452393      20.53905 
1 1 1 8   19 8  o 86.42207 9.940897 77.75775       17.15211  77.75775       
17.15211  0.000000       0.000000  86.42207 9.940897 ?        ?        
0.000000       9.940897 
1 1 1 8   19 9  o 200.7179 4.938348 410.9174       20.15670  413.5752       
23.84817  404.2700       37.71588  201.2425 5.827521 198.2869 9.353600 
2.955582       11.02043 
1 1 1 8   19 10 o 184.2990 5.772812 347.0433       21.63524  315.7339       
26.16815  414.6769       38.46067  175.5277 7.331216 200.6476 9.426085 
-25.11995      11.94143 
1 1 1 8   19 11 o 225.2674 5.037413 518.1629       23.07583  523.5410       
27.34708  504.8656       43.00085  226.2451 5.944021 221.1392 9.562243 
5.105865       11.25912 
1 1 1 8   19 12 o 161.3622 7.443605 267.5034       24.42510  254.1768       
32.76381  284.1752       36.64592  156.2126 10.37297 164.9755 10.98614 
-8.762955      15.10940 
1 1 1 8   19 13 o 242.4047 5.862000 601.6747       28.89604  535.2114       
40.30193  671.9877       41.45271  227.6638 8.705232 255.4137 7.981001 
-27.74982      11.81006 
1 1 1 8   19 14 o 98.17807 14.43728 104.7864       27.96304  119.6749       
32.95978  66.54335       52.82446  104.2899 16.05655 75.99138 27.09561 
28.29852       31.49580 
1 1 1 8   19 15 o 54.41649 16.47719 33.29604       19.80056  46.59089       
30.11377  23.17048       26.28046  63.39463 20.49183 49.85609 18.87936 
13.53853       27.86297 
1 1 1 8   19 16 o 31.42909 14.22457 -7.173392      19.51040  -67.40005      
39.46394  12.30882       22.44529  33.45053 16.46488 41.73720 16.93932 
-8.286671      23.62272 
1 1 1 8   19 17 o 63.90096 13.55905 47.51057       17.07378  28.75230       
25.01328  63.87535       23.36304  49.90170 18.51660 72.53609 16.24293 
-22.63440      24.63123 
1 1 1 8   20 0  o 287.6055 4.426326 841.5496       25.88761  841.8881       
50.95036  841.4317       30.05640  287.4120 8.717478 287.5549 5.140018 
-0.1428528     10.11999 
1 1 1 8   20 1  o 437.7914 5.248907 1950.601       46.72911  2004.662       
87.35291  1928.928       55.30818  443.3103 9.689874 435.2664 6.248601 
8.043884       11.52990 
1 1 1 8   20 2  o 121.5347 6.652096 150.8938       16.37794  134.0824       
31.88182  156.9208       19.08928  113.5377 14.11317 123.8567 7.616031 
-10.31899      16.03700 
1 1 1 8   20 3  o 413.0351 6.472939 1737.972       54.36756  0.000000       
0.000000  1737.972       54.36756  ?        ?        413.0351 6.472939 
0.000000       6.472939 
1 1 1 8   20 4  o 73.96786 9.732787 56.87971       14.28422  45.41703       
18.70772  72.90573       22.12028  65.19182 14.48755 83.20643 13.53872 
-18.01461      19.82892 
1 1 1 8   20 5  o 263.2725 5.258688 706.1136       28.15362  754.6931       
38.29614  648.9813       41.53073  271.9849 6.924026 252.0617 8.102355 
19.92320       10.65787 
1 1 1 8   20 6  f 186.6514 4.943204 354.9704       18.76253  339.7258       
22.51884  389.5790       33.92966  182.5029 6.067709 195.1333 8.550601 
-12.63039      10.48475 
1 1 1 8   20 7  o 103.2458 7.017095 109.4270       14.64522  95.65660       
17.44821  142.2592       26.94189  96.18081 9.026548 116.9594 11.47549 
-20.77862      14.60018 
1 1 1 8   20 8  o 124.6086 6.329959 159.0374       15.98717  155.0576       
18.75415  169.6190       30.58040  122.8461 7.543815 127.5484 11.92859 
-4.702362      14.11383 
1 1 1 8   20 9  o 49.49043 13.41550 26.36123       13.83971  11.21782       
16.63910  60.35627       24.93020  39.05195 14.96609 74.22934 16.89529 
-35.17739      22.57066 
1 1 1 8   20 10 o 150.0728 6.411880 230.4547       19.56766  254.2820       
24.80400  191.1885       31.84155  157.4108 7.748822 135.2271 11.69430 
22.18369       14.02858 
1 1 1 8   20 11 o 153.4044 7.251076 241.5029       22.61996  271.7432       
30.37630  203.8613       33.89032  162.0038 9.259007 139.3262 12.08125 
22.67751       15.22123 
1 1 1 8   20 12 o 128.8629 6.970494 170.9349       18.19805  157.3247       
21.39750  206.5141       34.59610  123.2133 8.593740 139.9695 12.27871 
-16.75623      14.98730 
1 1 1 8   20 13 o 55.83167 14.73978 34.36211       16.98116  32.27329       
20.66987  38.69907       29.78373  54.50413 16.89750 60.20267 20.41129 
-5.698540      26.49805 
1 1 1 8   20 14 o 106.0672 12.67742 120.6184       26.80224  107.4554       
31.04937  159.1027       53.09067  98.53934 16.04730 115.7144 23.36691 
-17.17503      28.34658 
1 1 1 8   20 15 o 92.30754 11.09352 91.39192       20.40666  72.20795       
30.71698  106.5480       27.30256  77.97612 19.43947 98.31211 14.05686 
-20.33599      23.98934 
1 1 1 8   20 16 o 36.94470 15.53053 6.079015       19.79178  -31.43757      
39.59695  18.57327       22.85100  38.92372 18.48318 44.84451 17.44300 
-5.920795      25.41429 
1 1 1 8   20 17 o 38.87393 15.74720 12.16644       19.35755  14.21869       
24.10640  8.440711       32.48058  42.10326 17.37442 43.57823 19.11406 
-1.474976      25.83056 
1 1 1 8   21 0  o 415.7188 5.043464 1758.741       42.63634  1861.125       
82.27814  1721.155       49.85186  427.1750 9.471684 411.1810 5.962067 
15.99399       11.19192 
1 1 1 8   21 1  o 456.2856 5.486668 2119.324       50.90927  2121.475       
91.28600  2118.354       61.33281  455.9321 9.845835 456.0617 6.613294 
-0.1295776     11.86070 
1 1 1 8   21 2  o 575.3728 6.346999 3372.042       74.26244  3437.844       
133.3777  3342.479       89.40195  579.8386 11.31161 572.6091 7.677809 
7.229431       13.67119 
1 1 1 8   21 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 8   21 4  o 94.17546 7.684190 91.11253       14.58765  78.51036       
18.87039  109.8277       22.99615  86.87485 10.92307 102.9325 11.16532 
-16.05765      15.61979 
1 1 1 8   21 5  o 234.7313 4.558149 561.1339       21.75759  582.0870       
26.93688  521.8041       36.90485  238.9811 5.542839 225.9714 8.031165 
13.00972       9.758210 
1 1 1 8   21 6  o 89.19432 7.989390 82.01374       14.33758  82.70219       
17.81636  80.74854       24.15264  89.23057 9.990111 87.26404 14.09070 
1.966530       17.27282 
1 1 1 8   21 7  o 252.1103 4.982038 648.0289       25.54166  662.4211       
32.14437  623.3782       42.06853  254.7021 6.206133 246.6497 8.387360 
8.052368       10.43379 
1 1 1 8   21 8  o 221.6566 4.759087 501.0004       21.45141  493.9048       
25.26479  519.3285       40.60528  219.9517 5.648550 224.8709 8.879689 
-4.919220      10.52402 
1 1 1 8   21 9  o 153.0392 5.534953 239.1913       17.22535  249.8065       
20.66261  215.0061       31.18862  156.2674 6.502277 143.8423 10.73994 
12.42509       12.55491 
1 1 1 8   21 10 o 180.9958 6.016269 335.0710       22.14355  327.0204       
27.69177  349.3480       36.87675  178.4873 7.629427 183.6280 9.912291 
-5.140701      12.50846 
1 1 1 8   21 11 o 69.00710 14.50521 52.03863       19.70865  33.74559       
26.47830  74.76415       29.51237  56.94453 19.24566 81.81689 18.20732 
-24.87236      26.49343 
1 1 1 8   21 12 o 93.91386 8.882674 91.89915       16.76241  74.88191       
20.28531  128.5345       29.76372  83.72932 12.27868 109.6125 13.64853 
-25.88315      18.35888 
1 1 1 8   21 13 o 277.2607 5.177025 786.4075       29.18904  812.8676       
35.24887  728.6736       52.06721  281.5320 6.156956 264.8939 9.665870 
16.63806       11.46024 
1 1 1 8   21 14 o 65.64636 18.12793 49.43385       24.99732  24.37989       
30.10075  105.1095       44.87162  52.30065 20.10908 92.95783 23.67339 
-40.65718      31.06130 
1 1 1 8   21 15 o 43.09141 15.74420 18.05208       17.96908  21.59494       
28.95686  15.83347       22.91479  49.66059 19.54245 44.18227 17.38515 
5.478325       26.15627 
1 1 1 8   21 16 o 84.06459 10.89413 77.31990       18.18535  55.60256       
27.56294  94.06100       24.19993  66.48522 19.26907 91.26657 13.44173 
-24.78135      23.49420 
1 1 1 8   21 17 o 77.53758 13.19557 69.81727       20.06087  32.79523       
23.99267  155.8349       36.57145  51.31587 18.26472 113.0482 16.38609 
-61.73235      24.53780 
1 1 1 8   22 0  o 343.6212 4.604128 1201.536       32.17205  1140.261       
59.50580  1226.845       38.24338  334.3873 8.751008 347.1667 5.417099 
-12.77939      10.29199 
1 1 1 8   22 1  f 546.4059 5.235520 3039.251       58.17370  3101.995       
122.0048  3020.789       66.18140  550.9338 10.88995 544.6463 5.975441 
6.287537       12.42163 
1 1 1 8   22 2  o 166.1882 5.325030 281.2143       17.99591  351.5053       
36.25407  258.2321       20.73014  185.2523 9.657133 159.2024 6.403261 
26.04988       11.58715 
1 1 1 8   22 3  o 441.7697 6.625877 1989.518       59.52380  0.000000       
0.000000  1989.518       59.52380  ?        ?        441.7697 6.625877 
0.000000       6.625877 
1 1 1 8   22 4  o 285.3900 4.468514 829.3157       25.93303  809.7440       
31.07911  874.1790       47.05441  281.9073 5.421392 292.5623 7.909165 
-10.65497      9.588867 
1 1 1 8   22 5  o 198.9916 5.605857 403.7084       22.68445  398.3978       
31.27244  409.6058       32.95495  197.4300 7.789277 200.1459 8.096972 
-2.715836      11.23538 
1 1 1 8   22 6  o 49.44281 12.77773 26.21249       12.93997  30.86339       
16.21463  18.05549       21.47356  53.62410 14.51474 46.42510 17.17036 
7.199001       22.48330 
1 1 1 8   22 7  o 48.57642 14.84508 24.75848       16.01889  14.52085       
22.10038  36.09056       23.25171  44.68763 17.21756 58.30035 17.89664 
-13.61272      24.83413 
1 1 1 8   22 8  o 116.4815 6.751553 139.2675       15.92374  147.9060       
19.46721  121.8007       27.68146  119.8213 8.036014 107.5170 12.91944 
12.30428       15.21478 
1 1 1 8   22 9  o 126.4837 6.538291 164.1614       16.75957  156.6741       
19.93115  182.2341       30.96559  123.2776 7.993646 132.0236 11.65351 
-8.746033      14.13162 
1 1 1 8   22 10 o 296.2990 5.462014 897.3103       32.91050  881.4054       
40.97049  926.2391       55.25505  293.2182 6.871139 299.6746 9.067147 
-6.456360      11.37654 
1 1 1 8   22 11 o 132.7122 8.290764 182.1778       22.26260  183.7097       
30.05120  180.3144       33.14361  132.3274 11.27516 130.5795 12.63987 
1.747864       16.93799 
1 1 1 8   22 12 o 161.2437 6.137972 266.4926       20.12608  255.7335       
24.16653  290.8445       36.35741  157.6340 7.538987 166.7407 10.78030 
-9.106674      13.15489 
1 1 1 8   22 13 o 107.0760 10.87958 121.0418       23.36046  45.60544       
32.78643  198.8261       33.29275  64.09097 21.41703 136.9574 12.07766 
-72.86642      24.58778 
1 1 1 8   22 14 o 58.52669 16.80535 38.89588       21.05308  38.89588       
21.05308  0.000000       0.000000  58.52669 16.80535 ?        ?        
0.000000       16.80535 
1 1 1 8   22 15 o 61.20635 15.12917 43.11164       18.72311  89.18114       
31.56499  18.10381       23.25610  86.62010 18.48308 45.28335 17.60160 
41.33675       25.52333 
1 1 1 8   22 16 o 45.43465 15.13424 23.52968       16.37444  23.18698       
24.32024  23.81384       22.14607  47.12115 18.08536 46.85607 17.41581 
0.2650833      25.10758 
1 1 1 8   23 0  o 241.7523 4.568389 594.7826       22.45872  578.4784       
42.87121  600.9494       26.36615  238.1172 8.853673 242.9620 5.336506 
-4.844772      10.33759 
1 1 1 8   23 1  o 52.14085 9.599793 28.63948       9.803626  0.9289852      
24.29520  34.02915       10.71469  40.28040 17.08421 56.95435 9.592138 
-16.67394      19.59284 
1 1 1 8   23 2  o 406.3651 6.269206 1682.782       51.80603  0.000000       
0.000000  1682.782       51.80603  ?        ?        406.3651 6.269206 
0.000000       6.269206 
1 1 1 8   23 3  o 265.5915 5.709649 718.7904       30.83721  0.000000       
0.000000  718.7904       30.83721  ?        ?        265.5915 5.709649 
0.000000       5.709649 
1 1 1 8   23 4  f 43.77647 14.19668 19.21274       14.44473  15.65361       
21.17632  22.30972       19.75367  44.99828 16.96936 48.35520 16.61944 
-3.356926      23.75216 
1 1 1 8   23 5  o 85.11176 9.711614 75.25425       16.50767  62.27171       
24.79496  85.58998       22.12351  75.87594 16.53672 90.28951 12.37501 
-14.41357      20.65440 
1 1 1 8   23 6  o 161.8643 5.086945 267.1648       16.74401  272.0771       
20.30514  256.7265       29.59941  163.2406 6.116828 157.8809 9.259899 
5.359665       11.09781 
1 1 1 8   23 7  o 202.7386 4.702392 419.1135       19.38683  411.5772       
22.98554  437.6891       36.08666  200.7839 5.629559 206.4966 8.593741 
-5.712723      10.27348 
1 1 1 8   23 8  o 118.1604 6.615213 143.3017       15.83138  136.2743       
19.16087  158.4192       28.10343  114.9143 8.254539 123.1823 11.34670 
-8.267937      14.03157 
1 1 1 8   23 9  o 59.27079 13.38646 38.15117       15.75338  30.15429       
19.86460  51.70396       25.86030  53.23825 16.57497 68.26019 18.26934 
-15.02194      24.66776 
1 1 1 8   23 10 o 110.2166 8.459427 125.8650       18.81540  115.3874       
24.05045  142.3943       30.20789  104.6688 11.48828 115.8561 13.04903 
-11.18737      17.38556 
1 1 1 8   23 11 o 83.68966 12.12082 74.74883       20.02737  60.12516       
27.51316  91.23058       29.20881  72.98283 18.51052 91.04452 16.37865 
-18.06169      24.71638 
1 1 1 8   23 12 o 231.0921 5.806352 547.1175       27.28600  591.2236       
34.89895  477.7525       43.76561  239.7567 7.157976 214.3430 10.04089 
25.41365       12.33110 
1 1 1 8   23 13 o 205.3573 5.758920 432.4914       24.04931  435.4805       
28.85151  425.6861       43.53315  205.6832 6.897921 201.3928 10.66782 
4.290482       12.70369 
1 1 1 8   23 14 o 60.56569 16.85239 42.12748       21.51497  42.12748       
21.51497  0.000000       0.000000  60.56569 16.85239 ?        ?        
0.000000       16.85239 
1 1 1 8   23 15 o 127.2934 7.320526 169.2144       18.86976  174.6115       
22.39033  155.9846       35.05542  128.6732 8.606622 117.4154 15.02650 
11.25782       17.31674 
1 1 1 8   23 16 o 51.68067 15.06605 31.97920       16.80622  6.331759       
24.22333  55.78337       23.33664  39.05349 16.82220 67.00908 17.07633 
-27.95559      23.97055 
1 1 1 8   24 0  o 154.6674 4.860669 243.5175       15.28785  282.9510       
32.82626  232.5957       17.27573  166.1420 9.758910 151.1292 5.621297 
15.01280       11.26212 
1 1 1 8   24 1  o 592.4346 5.531474 3574.792       66.63966  3706.443       
141.0128  3536.937       75.61617  601.5157 11.52816 589.1362 6.311718 
12.37946       13.14292 
1 1 1 8   24 2  o 172.2496 4.700397 302.1086       16.46434  0.000000       
0.000000  302.1086       16.46434  ?        ?        172.2496 4.700397 
0.000000       4.700397 
1 1 1 8   24 3  o 258.5917 5.714675 681.6058       30.05090  0.000000       
0.000000  681.6058       30.05090  ?        ?        258.5917 5.714675 
0.000000       5.714675 
1 1 1 8   24 4  o 292.2735 7.914675 873.4666       47.04072  0.000000       
0.000000  873.4666       47.04072  ?        ?        292.2735 7.914675 
0.000000       7.914675 
1 1 1 8   24 5  o 155.2606 6.093734 246.0599       19.23961  254.8573       
27.83936  238.0166       26.61944  157.4532 8.728904 152.1634 8.638358 
5.289719       12.28068 
1 1 1 8   24 6  o 139.2427 6.649404 198.2002       18.82810  175.6569       
25.92691  223.3540       27.38695  130.3089 9.857110 147.1765 9.196789 
-16.86766      13.48123 
1 1 1 8   24 7  o 121.0037 6.197462 150.0545       15.19862  142.9666       
18.35293  165.5252       27.11447  117.8486 7.700586 126.1686 10.66811 
-8.320015      13.15703 
1 1 1 8   24 8  o 76.16762 9.368348 60.65265       14.20469  56.36141       
17.60805  68.64985       24.03746  72.65337 12.36070 79.47691 15.42927 
-6.823532      19.76991 
1 1 1 8   24 9  o 120.1456 11.92601 151.7891       28.75263  0.000000       
0.000000  151.7891       28.75263  ?        ?        120.1456 11.92601 
0.000000       11.92601 
1 1 1 8   24 10 o 137.1771 7.338407 193.9096       20.39660  191.6128       
26.81897  197.0608       31.41301  135.6616 9.787231 137.0313 11.37583 
-1.369690      15.00664 
1 1 1 8   24 11 o 158.6295 5.985496 257.8588       19.30792  244.3180       
22.80536  292.1313       36.28174  154.1221 7.276467 167.0903 10.73470 
-12.96819      12.96846 
1 1 1 8   24 12 o 232.1323 5.367595 551.6550       25.33768  530.5978       
30.09674  602.8976       46.95002  227.2933 6.511506 240.8814 9.584755 
-13.58817      11.58737 
1 1 1 8   24 13 o 36.30065 14.68790 7.375033       16.81995  14.98984       
20.09391  -10.45060      30.74380  42.78090 16.43439 39.69347 17.92035 
3.087433       24.31519 
1 1 1 8   24 14 o 52.62530 16.84337 31.12922       20.38341  31.12922       
20.38341  0.000000       0.000000  52.62530 16.84337 ?        ?        
0.000000       16.84337 
1 1 1 8   24 15 o 48.54122 15.12769 27.06699       16.54237  7.961249       
19.00631  86.75775       33.59459  37.26646 15.40687 83.07634 20.10305 
-45.80988      25.32793 
1 1 1 8   24 16 o 53.49579 12.83140 33.46124       13.77917  35.65578       
17.18145  29.50565       23.06711  54.17084 15.05519 49.50792 17.87636 
4.662926       23.37141 
1 1 1 8   25 0  o 454.9247 4.642182 2106.874       42.94504  2036.473       
88.69295  2128.434       49.08241  446.3122 9.772346 457.1633 5.279624 
-10.85110      11.10735 
1 1 1 8   25 1  o 324.3704 4.522750 1071.225       29.83289  0.000000       
0.000000  1071.225       29.83289  ?        ?        324.3704 4.522750 
0.000000       4.522750 
1 1 1 8   25 2  o 233.9324 5.469091 557.6593       26.01699  0.000000       
0.000000  557.6593       26.01699  ?        ?        233.9324 5.469091 
0.000000       5.469091 
1 1 1 8   25 3  o 283.7184 4.117382 819.6606       23.75528  855.6894       
35.06661  789.1031       32.29442  289.6553 5.953343 278.1915 5.708635 
11.46381       8.248079 
1 1 1 8   25 4  o 39.53600 13.86300 14.41537       13.77759  -7.496552      
20.83921  31.43054       18.36366  33.73910 15.02918 54.32205 15.72361 
-20.58295      21.75105 
1 1 1 8   25 5  o 207.8940 5.443381 440.9608       23.01241  416.4175       
31.28364  469.9023       33.97115  201.6921 7.627409 214.2210 7.798243 
-12.52892      10.90825 
1 1 1 8   25 6  o 120.6451 6.020827 148.7065       14.77125  137.8589       
18.29097  169.0455       25.04576  115.7138 7.819088 127.7868 9.710867 
-12.07308      12.46752 
1 1 1 8   25 7  o 79.45773 8.404540 65.57086       13.37393  60.05005       
16.57813  75.85988       22.63192  75.38710 11.15043 84.21675 13.68496 
-8.829651      17.65248 
1 1 1 8   25 8  o 239.7335 4.672456 586.4898       22.77851  593.9636       
27.31957  569.4443       41.25818  241.0711 5.572849 235.1967 8.626356 
5.874359       10.26989 
1 1 1 8   25 9  o 130.3432 6.919960 174.7772       18.27615  181.7610       
23.09591  163.0789       29.89188  132.5101 8.617916 124.4536 11.95845 
8.056503       14.74018 
1 1 1 8   25 10 o 97.58448 10.06335 99.87096       19.68327  120.1884       
26.12585  73.19917       29.93381  106.3949 12.30217 80.49375 18.65223 
25.90118       22.34389 
1 1 1 8   25 11 o 91.64912 9.238090 87.91053       16.98236  94.11430       
20.26353  73.27043       31.12859  94.39909 10.74751 80.04205 19.34028 
14.35704       22.12590 
1 1 1 8   25 12 o 84.24616 10.86867 75.43623       18.18572  94.64633       
22.31155  37.41262       31.39002  94.12807 11.92360 59.40215 20.91830 
34.72591       24.07795 
1 1 1 8   25 13 o 30.61971 13.59032 -4.201220      16.88634  -29.69003      
19.97220  59.69979       31.62313  25.82798 12.48772 70.98235 20.65892 
-45.15437      24.13989 
1 1 1 8   25 14 o 131.5486 7.375065 180.2924       19.64938  168.4997       
22.43397  219.1468       40.72110  126.5295 8.773107 140.5155 14.45723 
-13.98606      16.91091 
1 1 1 8   25 15 o 146.9967 7.187207 225.9606       21.48421  215.3801       
25.51441  251.7437       39.82894  142.2545 8.864052 149.8990 13.20089 
-7.644485      15.90078 
1 1 1 8   25 16 f 25.92513 11.90050 -6.963140      14.28861  -13.79864      
15.69773  26.06459       34.50572  24.96071 11.78871 49.39650 20.61784 
-24.43579      23.75013 
1 1 1 8   26 0  o 109.7946 4.440743 122.7310       9.914891  131.1691       
29.36775  121.6455       10.53335  112.2015 13.11893 109.2980 4.739179 
2.903511       13.94870 
1 1 1 8   26 1  o 375.9854 4.800368 1439.825       36.70262  0.000000       
0.000000  1439.825       36.70262  ?        ?        375.9854 4.800368 
0.000000       4.800368 
1 1 1 8   26 2  o 212.1234 3.975931 458.1238       17.15058  479.1565       
39.93884  453.3684       18.99069  216.3260 9.078940 210.9856 4.426256 
5.340424       10.10044 
1 1 1 8   26 3  o 109.9645 5.749953 123.6811       12.81318  160.6304       
20.09161  98.35174       16.63502  125.0579 7.941641 97.65132 8.460711 
27.40659       11.60402 
1 1 1 8   26 4  o 95.67039 7.825819 94.31390       15.09178  66.75625       
21.72826  120.0002       20.97754  79.05502 14.02969 107.6512 9.686341 
-28.59613      17.04868 
1 1 1 8   26 5  o 55.83921 11.61461 33.40382       12.75882  36.12093       
16.95094  29.85246       19.37930  57.72795 14.46815 53.16378 16.34164 
4.564171       21.82605 
1 1 1 8   26 6  o 31.27027 12.59421 4.835382       12.30489  18.54606       
16.07245  -14.58164      19.12687  43.69305 14.99259 29.48497 13.61907 
14.20809       20.25480 
1 1 1 8   26 7  o 107.5308 6.657843 118.8496       14.48693  124.1453       
17.98352  109.0607       24.45032  109.6256 8.124818 101.7252 12.05412 
7.900391       14.53666 
1 1 1 8   26 8  o 86.16644 8.334956 77.11870       14.42225  52.89404       
17.33815  131.5270       25.98403  70.14346 12.61926 111.8361 11.59388 
-41.69265      17.13662 
1 1 1 8   26 9  o 54.17184 13.72965 32.13869       15.14407  25.96948       
18.38184  45.17298       26.71886  49.64677 16.00610 63.71501 19.10644 
-14.06824      24.92491 
1 1 1 8   26 10 o 147.6166 9.222746 226.6243       27.54644  214.9987       
48.90136  232.0279       33.33919  139.7659 17.59552 148.6329 11.11069 
-8.867004      20.80985 
1 1 1 8   26 11 o 62.93549 13.51484 43.51413       16.78003  47.10380       
20.25791  35.66759       29.95069  64.96658 15.54242 58.28366 20.43951 
6.682926       25.67762 
1 1 1 8   26 12 o 52.84042 15.26248 30.98615       17.31875  35.76146       
21.54661  22.26944       29.11079  56.57783 17.20103 50.97531 19.72669 
5.602524       26.17284 
1 1 1 8   26 13 o 99.41243 9.259993 104.1936       18.50451  108.0653       
22.28983  95.60844       33.19196  100.5010 11.09127 90.56633 18.64381 
9.934631       21.69350 
1 1 1 8   26 14 o 37.20189 14.72561 10.38426       16.53133  -4.031380      
19.19538  51.77597       32.52644  32.32615 14.41020 64.58337 21.32154 
-32.25722      25.73445 
1 1 1 8   26 15 o 124.2229 7.966988 163.5892       20.01941  148.0581       
23.44153  205.4407       38.48046  116.8218 9.962805 133.4222 14.41167 
-16.60044      17.52009 
1 1 1 8   26 16 o 75.79796 13.50557 68.22518       20.05396  32.36578       
24.10748  148.7868       36.13385  50.18601 18.25138 108.5507 16.92095 
-58.36472      24.88838 
1 1 1 8   27 0  o 102.4872 4.790917 106.9864       9.984811  0.000000       
0.000000  106.9864       9.984811  ?        ?        102.4872 4.790917 
0.000000       4.790917 
1 1 1 8   27 1  o 137.5007 6.013664 192.8314       16.81494  0.000000       
0.000000  192.8314       16.81494  ?        ?        137.5007 6.013664 
0.000000       6.013664 
1 1 1 8   27 2  o 178.4754 4.014152 324.3818       14.56880  392.3320       
35.63623  310.7460       15.96379  195.6744 8.955840 174.6494 4.494874 
21.02501       10.02053 
1 1 1 8   27 3  o 343.2907 5.054757 1201.608       35.28692  1266.466       
44.27405  1088.662       58.42553  352.1895 6.181891 325.8285 8.817839 
26.36102       10.76894 
1 1 1 8   27 4  o 148.2298 5.856689 224.3600       17.65384  206.4872       
24.72231  242.9562       25.21766  141.5960 8.627067 153.7452 8.094392 
-12.14928      11.82985 
1 1 1 8   27 5  o 153.9052 5.166156 241.7435       16.16859  249.1646       
20.32947  228.9688       26.67292  156.0930 6.404589 148.9934 8.843030 
7.099594       10.91870 
1 1 1 8   27 6  o 146.0468 5.222315 217.8000       15.50981  227.9287       
19.41507  199.9359       25.78416  149.2452 6.397160 139.0235 9.171919 
10.22163       11.18248 
1 1 1 8   27 7  o 68.55544 10.00417 49.57936       13.53600  63.02847       
17.13914  27.28440       22.06713  77.13410 11.25847 51.83480 17.56930 
25.29930       20.86704 
1 1 1 8   27 8  o 88.30238 8.285413 81.01246       14.70380  84.62433       
18.28216  74.39674       24.74288  89.78744 10.19358 82.52249 15.30802 
7.264946       18.39143 
1 1 1 8   27 9  o 169.6090 6.691644 295.3467       23.07987  295.3467       
23.07987  0.000000       0.000000  169.6090 6.691644 ?        ?        
0.000000       6.691644 
1 1 1 8   27 10 o 52.33484 18.14931 28.15310       23.58337  0.1277657      
43.80345  39.59254       27.98564  50.73812 22.22719 60.10217 19.77422 
-9.364052      29.75009 
1 1 1 8   27 11 o 103.2470 8.788220 111.2953       18.27588  123.1919       
22.40228  87.62263       31.60124  108.1478 10.31135 87.77475 18.29750 
20.37308       21.00291 
1 1 1 8   27 12 o 83.61903 10.99325 74.75468       18.24009  66.93826       
22.27383  90.66759       31.78088  77.63577 14.64554 88.88277 18.19576 
-11.24700      23.35760 
1 1 1 8   27 13 o 110.5784 8.594420 128.4434       19.17401  110.1058       
22.91184  171.2996       35.02634  101.1330 11.33583 124.6794 14.06047 
-23.54634      18.06095 
1 1 1 8   27 14 o 100.8772 8.886268 108.2302       18.04290  99.36716       
21.41648  129.9051       33.49142  95.38115 11.25870 105.7315 16.08384 
-10.35036      19.63283 
1 1 1 8   27 15 o 74.49570 11.52461 62.55000       16.89493  57.51495       
19.22856  79.59879       35.38276  69.78973 14.03533 75.20428 21.84238 
-5.414551      25.96305 
1 1 1 8   28 0  o 253.7675 4.107997 655.7617       21.19911  0.000000       
0.000000  655.7617       21.19911  ?        ?        253.7675 4.107997 
0.000000       4.107997 
1 1 1 8   28 1  o 354.0317 4.113210 1276.524       29.61246  1317.214       
65.26189  1265.974       33.23024  358.5172 8.951549 352.4865 4.635958 
6.030731       10.08079 
1 1 1 8   28 2  o 73.31206 6.522069 55.33113       9.621716  72.80439       
25.13111  52.32994       10.41530  82.26260 15.59375 71.16567 7.300337 
11.09693       17.21801 
1 1 1 8   28 3  o 251.1693 4.958837 643.3807       25.32782  647.6804       
30.79089  634.3837       44.53978  251.8285 6.012650 248.5988 8.810438 
3.229675       10.66657 
1 1 1 8   28 4  o 274.9120 7.728242 774.7769       43.20418  0.000000       
0.000000  774.7769       43.20418  ?        ?        274.9120 7.728242 
0.000000       7.728242 
1 1 1 8   28 5  o 226.5599 4.515600 523.5392       20.80415  529.7930       
25.49541  511.0774       35.98974  227.7357 5.505280 223.1200 7.932110 
4.615677       9.655386 
1 1 1 8   28 6  o 212.3058 4.551879 459.9080       19.65188  464.8466       
23.96803  449.7776       34.32775  213.2654 5.526631 209.1699 8.070395 
4.095551       9.781357 
1 1 1 8   28 7  o 55.50785 12.22095 33.39666       13.42122  33.20809       
17.23426  33.68726       21.39414  55.07433 14.98796 55.80356 17.17299 
-0.7292252     22.79365 
1 1 1 8   28 8  o 229.6065 5.132671 538.9978       23.96508  545.6045       
29.83798  526.9894       40.22709  230.6693 6.361041 225.8488 8.758898 
4.820572       10.82502 
1 1 1 8   28 9  o 147.3481 7.179086 223.4140       21.51122  223.4140       
21.51122  0.000000       0.000000  147.3481 7.179086 ?        ?        
0.000000       7.179086 
1 1 1 8   28 10 o 167.2235 7.464953 288.3491       25.38493  253.4044       
34.79879  328.0944       37.11219  155.0981 11.10685 176.9609 10.35823 
-21.86282      15.18733 
1 1 1 8   28 11 o 58.37127 14.73450 38.07737       17.49169  25.11848       
21.17035  65.95509       31.05081  49.41477 17.19240 75.12215 19.97916 
-25.70738      26.35802 
1 1 1 8   28 12 o 144.4120 7.022243 215.4515       20.62198  200.4294       
24.96612  247.7093       36.58506  138.3533 8.921359 152.2029 11.91544 
-13.84961      14.88518 
1 1 1 8   28 13 o 117.4629 8.024552 144.6401       19.05312  127.7788       
22.65384  185.3992       35.22159  109.3012 10.31408 129.6454 13.56047 
-20.34425      17.03721 
1 1 1 8   28 14 o 92.49542 9.455604 92.10627       17.53523  83.08520       
20.51423  116.5778       33.78756  86.37976 12.00302 98.16054 17.57177 
-11.78078      21.28003 
1 1 1 8   28 15 o 127.3275 6.683588 170.8459       17.24498  159.3869       
19.19262  218.8648       39.28872  122.2269 7.762010 135.9548 14.43157 
-13.72792      16.38655 
1 1 1 8   29 0  o 99.56513 4.508369 101.0045       9.128055  0.000000       
0.000000  101.0045       9.128055  ?        ?        99.56513 4.508369 
0.000000       4.508369 
1 1 1 8   29 1  o 94.93359 4.971551 92.13880       9.564235  115.3602       
26.25304  88.58518       10.27001  104.8853 12.55847 93.02721 5.452690 
11.85812       13.69113 
1 1 1 8   29 2  o 268.6968 3.856054 735.4388       21.06964  747.9984       
46.96062  732.2733       23.57575  270.0095 8.552704 268.0543 4.325051 
1.955139       9.584091 
1 1 1 8   29 3  o 144.4864 6.123378 213.3584       17.99159  218.3974       
21.72518  202.3587       32.09835  145.8373 7.349218 139.3875 11.42459 
6.449814       13.58427 
1 1 1 8   29 4  o 169.6184 4.792457 293.5531       16.53037  302.3700       
20.90527  278.8427       27.00297  171.9799 5.977596 164.7888 8.058095 
7.191101       10.03317 
1 1 1 8   29 5  o 192.0027 4.666987 376.2028       18.22197  378.2655       
22.60401  372.3743       30.79460  192.3415 5.779110 190.3634 7.954991 
1.978134       9.832600 
1 1 1 8   29 6  f 175.1743 4.837884 313.3525       17.23365  304.1283       
21.12876  331.6864       29.78782  172.3723 6.027748 179.5158 8.159899 
-7.143494      10.14484 
1 1 1 8   29 7  o 49.18433 13.23374 26.34548       13.52656  18.49193       
17.22884  38.96520       21.83977  43.90701 15.49354 59.36673 17.13680 
-15.45973      23.10238 
1 1 1 8   29 8  o 94.20165 8.786958 92.56378       16.63820  92.96176       
21.28276  91.93824       26.68226  93.61054 11.41678 91.84804 14.78765 
1.762505       18.68201 
1 1 1 8   29 9  o 131.2388 7.881303 178.4541       20.93605  178.4541       
20.93605  0.000000       0.000000  131.2388 7.881303 ?        ?        
0.000000       7.881303 
1 1 1 8   29 10 o 80.03043 11.00151 68.35999       17.43086  56.30668       
21.82171  89.60841       28.97336  70.92151 15.55844 89.50005 16.52817 
-18.57854      22.69902 
1 1 1 8   29 11 o 128.7788 7.519289 172.0272       19.60563  214.3088       
24.93935  103.6228       31.72134  143.3637 8.594148 95.86198 16.88952 
47.50170       18.95033 
1 1 1 8   29 12 o 35.62620 14.66444 6.288989       17.11909  15.68593       
21.36596  -10.56050      28.61031  43.38957 16.86958 37.70117 17.12740 
5.688404       24.04018 
1 1 1 8   29 13 o 45.72310 15.21994 23.15114       16.56144  27.39482       
20.03089  13.98284       29.44239  49.34598 16.73902 45.82127 19.07850 
3.524708       25.38078 
1 1 1 8   29 14 o 61.69907 13.43441 44.37909       16.37796  39.10456       
18.88404  60.38946       32.90061  56.66814 15.79571 66.49628 21.41118 
-9.828144      26.60720 
1 1 1 8   29 15 o 55.03366 13.11529 36.37856       14.46945  40.62689       
16.09861  18.51821       33.00839  57.73214 13.88296 45.45701 19.60864 
12.27512       24.02572 
1 1 1 8   30 0  o 194.4512 3.579696 385.0307       14.15495  349.6427       
35.59599  391.6776       15.42715  184.2198 9.534616 196.0977 3.868671 
-11.87791      10.28958 
1 1 1 8   30 1  o 166.3946 4.126996 282.1249       13.96448  311.3649       
33.67466  276.0523       15.34620  173.7293 9.568776 164.5523 4.586120 
9.177017       10.61103 
1 1 1 8   30 2  o 55.33354 8.416917 32.13251       9.172381  58.94257       
24.55178  27.78359       9.888373  73.32978 16.82212 51.09010 9.875111 
22.23969       19.50645 
1 1 1 8   30 3  o 235.6456 6.047354 567.7603       28.97851  567.7603       
28.97851  0.000000       0.000000  235.6456 6.047354 ?        ?        
0.000000       6.047354 
1 1 1 8   30 4  o 207.8193 4.829673 440.8496       20.41057  438.8807       
26.75405  443.5911       31.56985  207.0598 6.353928 207.9015 7.467299 
-0.8416443     9.804741 
1 1 1 8   30 5  o 206.3677 4.592500 434.6887       19.27269  447.5737       
24.11865  411.9280       32.05560  209.1932 5.669620 200.1466 7.875975 
9.046646       9.704410 
1 1 1 8   30 6  o 193.7848 4.724572 383.5338       18.61802  391.3979       
22.97426  368.4886       31.77701  195.5453 5.777535 189.0786 8.264548 
6.466705       10.08378 
1 1 1 8   30 7  o 67.65026 10.58095 48.73786       14.07921  54.10807       
18.13008  40.57920       22.34670  70.59635 13.11160 60.34658 17.30990 
10.24977       21.71512 
1 1 1 8   30 8  o 90.48856 8.530623 85.45241       15.51208  80.29295       
19.65161  93.98140       25.26651  86.81480 11.40767 93.14081 13.75371 
-6.326004      17.86896 
1 1 1 8   30 9  o 131.2384 11.12235 182.0711       29.40383  182.0711       
29.40383  0.000000       0.000000  131.2384 11.12235 ?        ?        
0.000000       11.12235 
1 1 1 8   30 10 o 112.6773 7.985265 132.0776       18.17837  124.7856       
22.58572  145.4900       30.63103  108.6766 10.34472 116.1098 13.20807 
-7.433281      16.77696 
1 1 1 8   30 11 o 141.0993 7.050379 205.7242       20.22967  208.7363       
25.16339  200.2201       34.01545  141.2457 8.804590 136.4610 12.39305 
4.784714       15.20225 
1 1 1 8   30 12 o 124.1252 7.735244 160.9976       19.42766  149.6983       
23.63886  184.5125       34.10156  118.6646 9.886072 129.7811 13.10075 
-11.11651      16.41232 
1 1 1 8   30 13 o 50.95928 17.12815 30.26346       20.97114  41.31538       
28.56672  17.34582       30.88398  57.97060 19.98233 47.23135 19.59225 
10.73925       27.98481 
1 1 1 8   30 14 o 40.50325 14.57065 17.99862       15.30766  7.123673       
17.52684  52.97064       31.43043  34.99424 14.65775 61.73352 20.96778 
-26.73928      25.58314 
1 1 1 8   30 15 o 33.02219 13.46995 8.569527       14.28125  10.07588       
15.92149  2.367889       32.30527  34.82391 14.21567 39.67342 18.09137 
-4.849510      23.00832 
1 1 1 8   31 0  o 174.5223 3.481027 310.1883       12.35406  320.3682       
33.37902  308.5725       13.29844  176.2421 9.346899 174.0440 3.757424 
2.198181       10.07386 
1 1 1 8   31 1  o 71.94872 5.556798 53.17913       8.067156  72.85317       
26.37075  51.14789       8.473373  81.74532 16.43370 70.49699 5.966639 
11.24833       17.48334 
1 1 1 8   31 2  o 191.4639 3.842804 373.5893       14.96189  408.8991       
36.84323  366.6162       16.37272  199.2577 9.092664 189.6205 4.246041 
9.637161       10.03521 
1 1 1 8   31 3  o 58.75368 12.56143 37.33331       14.55342  40.09301       
17.76994  31.71135       25.36293  60.54552 14.60215 55.60674 18.83574 
4.938782       23.83291 
1 1 1 8   31 4  o 138.4270 5.369128 195.8657       15.11388  192.1913       
19.97950  200.7813       23.10889  136.6477 7.215617 139.4364 8.185777 
-2.788773      10.91201 
1 1 1 8   31 5  o 89.33742 7.337680 82.55649       13.21264  67.32374       
17.39573  103.3257       20.31252  79.71085 11.02717 99.28934 10.20552 
-19.57849      15.02502 
1 1 1 8   31 6  o 60.67578 10.81646 39.45659       12.85666  49.14435       
17.19229  27.16527       19.36516  67.23804 13.04444 50.64423 16.43880 
16.59381       20.98551 
1 1 1 8   31 7  o 40.18616 13.50561 16.31782       13.03853  18.01856       
17.33418  14.10176       19.78679  43.44036 15.51804 42.31351 16.29465 
1.126858       22.50167 
1 1 1 8   31 8  o 48.60747 13.75597 25.94881       14.20916  23.56079       
18.09890  29.78538       22.94061  47.47140 15.91225 52.94244 17.91380 
-5.471039      23.96046 
1 1 1 8   31 9  o 85.71794 16.84467 82.96162       28.31488  82.96162       
28.31488  0.000000       0.000000  85.71794 16.84467 ?        ?        
0.000000       16.84467 
1 1 1 8   31 10 o 25.41070 11.94540 -15.28266      15.78238  -24.51687      
20.78100  -2.697796      24.26001  27.79786 13.25360 37.38419 16.45519 
-9.586334      21.12892 
1 1 1 8   31 11 o 92.99355 9.860776 91.92192       18.36277  93.89964       
23.44983  88.78671       29.52504  92.68632 12.78153 87.75352 17.16015 
4.932793       21.39716 
1 1 1 8   31 12 o 105.6500 8.807272 118.1945       18.74936  116.9967       
23.03448  120.5461       32.27597  103.9373 11.06851 102.2808 16.04591 
1.656471       19.49316 
1 1 1 8   31 13 o 40.02869 15.11255 15.76128       16.80779  5.670940       
19.91323  40.75829       31.34245  36.32522 15.43936 56.92938 20.79437 
-20.60416      25.89941 
1 1 1 8   31 14 o 91.67852 9.365236 92.22643       17.21460  85.18771       
19.80228  114.0024       34.83025  86.49081 11.54723 92.34705 19.17461 
-5.856232      22.38313 
1 1 1 8   32 0  o 219.8680 4.349941 492.9309       19.44897  521.4297       
41.07700  484.6960       22.08086  225.0914 8.974047 217.9267 4.982579 
7.164764       10.26448 
1 1 1 8   32 1  o 304.5027 4.599906 945.9888       28.48339  1112.660       
58.23955  893.5887       32.65534  328.7947 8.710473 295.7510 5.429709 
33.04370       10.26421 
1 1 1 8   32 2  o 181.9759 4.594290 337.9395       17.00136  360.3526       
34.97176  331.0031       19.45508  186.8882 9.202043 179.9874 5.315444 
6.900818       10.62693 
1 1 1 8   32 3  o 34.90572 11.93697 11.77828       10.18739  -5.912145      
16.99833  21.69382       12.72610  30.37109 13.54797 44.99113 13.10867 
-14.62005      18.85166 
1 1 1 8   32 4  o 234.8615 4.487755 563.1232       21.43347  562.1973       
26.89146  564.7360       35.48990  234.3936 5.641792 234.3689 7.446518 
0.2470398E-01  9.342401 
1 1 1 8   32 5  o 161.6366 5.902414 267.6711       19.40085  253.1625       
27.85076  281.3484       27.04105  156.2379 8.801805 165.1776 8.050464 
-8.939697      11.92819 
1 1 1 8   32 6  o 133.6019 5.836720 182.9724       15.85744  177.3919       
20.59918  191.0899       24.84423  130.9187 7.772261 135.4729 9.070634 
-4.554169      11.94506 
1 1 1 8   32 7  o 29.22623 12.56883 -0.1356628     13.47942  -30.57619      
17.63016  42.69691       20.91305  23.41236 11.41411 61.54810 16.40944 
-38.13573      19.98879 
1 1 1 8   32 8  o 117.7229 6.855100 143.2672       16.33963  153.8499       
20.66757  125.6266       26.68380  121.5116 8.415944 108.2146 12.34685 
13.29704       14.94231 
1 1 1 8   32 9  o 44.11014 18.61038 7.467821       28.58774  7.467821       
28.58774  0.000000       0.000000  44.11014 18.61038 ?        ?        
0.000000       18.61038 
1 1 1 8   32 10 o 77.75349 10.93857 65.04333       16.81723  74.68078       
21.64285  50.35719       26.71699  82.37125 13.37989 65.44980 18.97167 
16.92146       23.21520 
1 1 1 8   32 11 o 167.0510 6.371007 288.4044       21.64256  273.3253       
26.68870  317.3649       36.98645  161.6095 8.147204 172.5131 10.59438 
-10.90359      13.36480 
1 1 1 8   32 12 o 75.26443 11.82512 62.85826       17.50192  47.41253       
21.51437  93.08035       30.09446  62.83268 16.59235 88.07997 17.41900 
-25.24729      24.05676 
1 1 1 8   32 13 o 32.50380 13.87311 3.771408       16.20071  8.981732       
19.23752  -8.935613      30.04268  37.08006 15.42887 37.16770 17.13289 
-0.8764267E-01 23.05615 
1 1 1 8   32 14 o 60.60396 13.08824 44.27265       15.65815  27.69802       
17.73992  102.7208       33.31311  46.76443 15.75327 85.83942 19.52489 
-39.07499      25.08759 
1 1 1 8   33 0  o 154.4328 7.398728 244.7528       23.23529  215.5494       
32.62990  274.7935       33.09434  143.6463 11.26062 162.7089 10.05132 
-19.06264      15.09406 
1 1 1 8   33 1  o 180.9770 3.908706 333.9370       14.38493  0.000000       
0.000000  333.9370       14.38493  ?        ?        180.9770 3.908706 
0.000000       3.908706 
1 1 1 8   33 2  o 35.94739 10.68302 13.62358       8.380965  0.000000       
0.000000  13.62358       8.380965  ?        ?        35.94739 10.68302 
0.000000       10.68302 
1 1 1 8   33 3  o 96.92154 6.504080 96.76441       12.74480  84.42802       
25.30133  100.9589       14.75320  88.18964 14.62042 98.82546 7.394779 
-10.63582      16.38412 
1 1 1 8   33 4  o 57.73306 12.61941 36.34873       14.40197  36.12676       
25.68961  36.45046       17.39208  57.83722 18.94167 57.43082 14.79957 
0.4063988      24.03777 
1 1 1 8   33 5  o 62.23829 14.55820 42.91619       18.09723  0.000000       
0.000000  42.91619       18.09723  ?        ?        62.23829 14.55820 
0.000000       14.55820 
1 1 1 8   33 6  o 113.8959 6.882635 134.0107       15.86607  143.0053       
22.70698  125.4300       22.17837  116.8034 9.646193 109.1822 10.10365 
7.621193       13.96900 
1 1 1 8   33 7  o 54.89646 13.33905 33.40541       14.74439  12.95728       
19.80440  58.83405       22.08495  41.43993 16.20524 72.43488 15.46381 
-30.99495      22.39954 
1 1 1 8   33 8  o 68.48250 11.49704 50.79235       15.44354  43.27758       
20.22361  61.30486       23.91961  61.72359 15.98516 73.41419 16.43208 
-11.69060      22.92462 
1 1 1 8   33 9  o 98.46103 12.73187 105.2440       24.89515  105.2440       
24.89515  0.000000       0.000000  98.46103 12.73187 ?        ?        
0.000000       12.73187 
1 1 1 8   33 10 o 95.08523 9.745155 96.08080       18.57696  92.92842       
23.72912  101.0719       29.85797  91.97128 13.05390 94.22683 16.16437 
-2.255547      20.77718 
1 1 1 8   33 11 f 78.54350 11.59709 67.71267       17.96581  77.58380       
22.97613  52.18071       28.82084  82.78242 14.15734 64.95248 19.92267 
17.82994       24.44061 
1 1 1 8   33 12 o 99.66525 9.182733 106.7279       18.40157  88.64787       
21.94249  149.5839       33.78257  88.77847 12.50036 113.4526 15.01155 
-24.67417      19.53473 
1 1 1 8   33 13 o 36.71873 14.47293 12.38789       15.90604  4.175343       
18.36655  37.02723       31.81291  33.87430 14.61949 53.02066 20.59289 
-19.14636      25.25463 
1 1 1 8   33 14 o 49.37229 14.29379 31.04907       15.17435  18.99874       
16.93760  80.05404       34.15641  40.23867 15.17586 70.71956 21.68804 
-30.48089      26.47032 
1 1 1 8   34 0  o 39.51404 15.21488 11.66209       17.24982  3.273414       
23.81306  20.92387       25.02165  40.05099 16.94627 49.20504 18.46787 
-9.154045      25.06468 
1 1 1 8   34 1  o 210.5308 3.565759 451.8121       15.26578  546.2982       
40.65771  436.3055       16.47089  230.0606 8.690587 206.8323 3.916042 
23.22835       9.532140 
1 1 1 8   34 2  o 181.8373 4.581999 337.6891       16.94297  357.6231       
35.13655  331.6497       19.33998  185.6130 9.338758 180.0729 5.281487 
5.540161       10.72877 
1 1 1 8   34 3  o 80.93888 6.768889 67.75459       11.03878  48.32032       
17.75250  80.00599       14.09510  66.46271 13.59340 87.72733 7.988534 
-21.26463      15.76697 
1 1 1 8   34 4  o 187.5248 4.676924 359.4584       17.83489  359.0644       
23.10102  360.0397       28.06102  187.0821 6.072218 186.9386 7.381645 
0.1435242      9.558270 
1 1 1 8   34 5  o 31.38507 12.95245 3.839448       13.39876  7.126090       
23.07564  2.167750       16.45722  40.76635 16.92497 33.28356 14.08562 
7.482792       22.01952 
1 1 1 8   34 6  o 90.84444 7.791174 85.96841       14.25377  67.37923       
18.94714  110.2057       21.63496  78.92975 12.19789 101.9828 10.58650 
-23.05303      16.15124 
1 1 1 8   34 7  o 223.8742 5.959024 515.2072       27.12880  513.2826       
38.25770  517.1538       38.47506  222.2276 8.465828 223.0546 8.482361 
-0.8269958     11.98419 
1 1 1 8   34 8  o 49.58619 14.36497 27.38823       15.32143  26.65671       
20.27336  28.36247       23.39615  49.79979 16.84028 51.67150 18.06817 
-1.871712      24.69927 
1 1 1 8   34 9  o 123.7573 9.469455 161.6026       23.65042  161.6026       
23.65042  0.000000       0.000000  123.7573 9.469455 ?        ?        
0.000000       9.469455 
1 1 1 8   34 10 o 68.34925 12.48781 51.88696       16.71728  31.44314       
20.22974  95.91230       29.68661  52.41710 16.78008 90.96629 16.66233 
-38.54920      23.64750 
1 1 1 8   34 11 o 77.41998 11.52070 66.24068       17.58503  66.25545       
21.89989  66.21390       29.50437  75.58944 14.77681 72.40582 19.57138 
3.183624       24.52332 
1 1 1 8   34 12 o 21.14217 10.41225 -30.00894      15.85518  -52.56177      
19.06602  20.55439       28.54810  20.40039 10.25772 46.37747 18.99557 
-25.97708      21.58825 
1 1 1 8   34 13 o 94.54868 8.862995 97.96246       16.84183  80.82014       
19.06727  158.8079       35.92261  83.82678 11.48766 112.0351 16.24101 
-28.20830      19.89313 
1 1 1 8   34 14 o 65.69701 11.70388 51.57077       15.06280  38.87071       
16.61633  110.1206       35.67755  54.42999 14.67693 83.92461 20.96595 
-29.49462      25.59264 
1 1 1 8   35 0  o 161.3546 7.078439 267.5228       23.22578  267.3887       
32.28381  267.6666       33.43906  160.2054 9.958903 160.1462 10.32299 
0.5918884E-01  14.34378 
1 1 1 8   35 1  o 118.1098 3.736654 142.2771       8.974705  156.6151       
26.95657  140.4897       9.517681  122.0366 10.97987 117.3403 3.988710 
4.696335       11.68193 
1 1 1 8   35 2  o 122.5730 4.196685 153.3911       10.46051  168.6145       
28.73634  151.0658       11.23104  126.4427 11.29489 121.5976 4.541964 
4.845116       12.17391 
1 1 1 8   35 3  o 193.6010 6.219244 384.7844       24.48480  384.7844       
24.48480  0.000000       0.000000  193.6010 6.219244 ?        ?        
0.000000       6.219244 
1 1 1 8   35 4  o 108.4543 6.243910 121.2380       13.71250  121.6790       
18.61680  120.7150       20.27378  108.0207 8.544884 107.3155 9.384475 
0.7052917      12.69186 
1 1 1 8   35 5  o 127.9874 6.696161 169.1736       17.36731  211.4441       
28.41695  143.9714       21.94207  141.8725 9.912091 117.1920 9.283175 
24.68051       13.58039 
1 1 1 8   35 6  o 77.25677 9.277854 63.13639       14.28439  62.31800       
19.66827  64.04990       20.77989  75.27024 13.33792 76.08179 13.94499 
-0.8115540     19.29671 
1 1 1 8   35 7  o 52.55309 13.86082 30.94628       15.02571  23.18660       
19.64628  41.88181       23.32268  47.29547 16.55595 60.24767 17.80114 
-12.95220      24.31008 
1 1 1 8   35 8  o 62.18684 14.79901 43.89361       18.44389  54.26380       
28.33444  36.26884       24.29598  67.48666 19.53042 56.44696 18.41754 
11.03970       26.84480 
1 1 1 8   35 9  o 111.4761 10.39884 132.7953       23.30105  132.7953       
23.30105  0.000000       0.000000  111.4761 10.39884 ?        ?        
0.000000       10.39884 
1 1 1 8   35 10 o 83.44387 10.49945 75.47911       17.42163  70.81637       
21.45327  84.50869       29.85428  79.05435 13.84970 83.73009 18.06411 
-4.675743      22.76239 
1 1 1 8   35 11 o 43.93003 15.01854 21.72411       16.12607  7.980619       
19.38948  52.56054       29.04355  37.06955 15.46256 63.45050 20.08417 
-26.38095      25.34689 
1 1 1 8   35 12 f 72.50805 11.62491 60.09672       16.56153  59.68596       
19.25219  61.26591       32.48078  70.65111 13.89528 64.90926 21.30067 
5.741844       25.43221 
1 1 1 8   35 13 o 47.67007 14.12945 28.82716       14.67516  3.699916       
16.13259  149.3486       35.33164  31.36269 13.61819 106.3550 16.90180 
-74.99229      21.70544 
1 1 1 8   36 0  o 282.2228 6.175838 817.0930       35.44373  843.1976       
50.78081  792.2947       49.49397  285.4250 8.748957 276.6482 8.797778 
8.776794       12.40746 
1 1 1 8   36 1  o 148.4606 3.464283 224.7617       10.45866  272.2490       
31.08702  218.7008       11.10606  161.5902 9.502294 146.4110 3.730224 
15.17918       10.20824 
1 1 1 8   36 2  o 141.1722 3.911059 203.4424       11.22781  208.0309       
28.26978  202.5831       12.23411  140.9238 9.928237 140.8199 4.272250 
0.1038208      10.80842 
1 1 1 8   36 3  o 72.97927 7.209428 55.44153       10.55934  47.56454       
17.06902  60.32489       13.43964  65.77905 13.21919 75.71564 8.898430 
-9.936592      15.93515 
1 1 1 8   36 4  o 136.1370 7.228818 191.8844       19.94049  191.8844       
19.94049  0.000000       0.000000  136.1370 7.228818 ?        ?        
0.000000       7.228818 
1 1 1 8   36 5  o 133.1410 6.820423 183.3755       18.40408  174.2303       
28.06593  190.2746       24.37682  128.0930 10.87751 134.8106 8.942813 
-6.717560      14.08169 
1 1 1 8   36 6  o 38.06629 13.74462 13.72054       13.63630  25.81325       
18.99414  0.8586914      19.58888  48.84360 16.30139 35.03998 15.11040 
13.80362       22.22745 
1 1 1 8   36 7  o 129.4359 6.524282 173.3725       17.11748  180.5776       
22.87293  164.2001       25.80741  131.2639 8.616740 124.3507 10.29843 
6.913261       13.42781 
1 1 1 8   36 8  o 84.41454 11.27971 77.17605       18.87843  116.1626       
30.62953  53.29279       23.97339  101.5099 15.31450 67.28194 17.39411 
34.22794       23.17518 
1 1 1 8   36 9  o 30.43381 13.38681 -1.817239      16.03225  5.641174       
20.47308  -13.64262      25.77908  37.35260 15.75369 34.34472 15.84526 
3.007874       22.34392 
1 1 1 8   36 10 o 87.47787 9.970717 82.89416       17.41993  78.88367       
21.47889  90.60207       29.77710  83.55075 13.07017 86.41310 17.54448 
-2.862350      21.87780 
1 1 1 8   36 11 o 69.19513 11.99776 54.59140       16.27023  36.05754       
18.94693  106.6388       31.75085  53.98046 16.06729 92.28912 17.55976 
-38.30866      23.80132 
1 1 1 8   36 12 o 79.11323 9.912837 70.08636       15.59760  79.10023       
18.00102  42.92978       31.24490  83.35293 10.87950 54.32523 20.58215 
29.02769       23.28064 
1 1 1 8   36 13 o 67.63832 12.42654 55.75417       16.46221  37.17042       
18.76612  117.8056       34.29127  51.82150 16.10628 89.23563 19.44646 
-37.41414      25.25028 
1 1 1 8   37 0  o 267.3069 6.196404 733.7781       33.68227  721.7529       
47.29124  746.1584       47.98416  263.7726 8.816567 268.2065 8.797864 
-4.433838      12.45529 
1 1 1 8   37 1  o 77.76122 5.173851 62.19850       8.134717  56.99847       
24.58735  62.83767       8.620174  70.75103 17.24610 78.11029 5.461324 
-7.359261      18.09016 
1 1 1 8   37 2  o 111.6233 4.260818 127.3502       9.671620  123.6470       
25.87626  127.9516       10.42736  107.4637 12.04844 111.8405 4.584834 
-4.376808      12.89130 
1 1 1 8   37 3  o 103.8173 5.574301 110.9433       11.72519  95.54601       
18.50591  121.2699       15.15534  95.12139 9.702970 108.2048 6.923906 
-13.08337      11.92007 
1 1 1 8   37 4  o 59.96433 14.37106 40.45166       17.29528  40.45166       
17.29528  0.000000       0.000000  59.96433 14.37106 ?        ?        
0.000000       14.37106 
1 1 1 8   37 5  o 204.8220 5.804674 431.5731       24.17720  384.2357       
34.24677  478.6074       34.13694  191.8324 8.779024 214.6801 7.819543 
-22.84773      11.75655 
1 1 1 8   37 6  o 32.48428 13.36856 4.917120       14.22378  16.19714       
20.30153  -5.958631      19.93441  43.08195 16.52640 32.48983 14.56924 
10.59213       22.03145 
1 1 1 8   37 7  o 31.26287 13.14466 2.952660       14.18241  3.580119       
19.39908  2.232230       20.78666  35.89158 15.24652 36.33516 15.61659 
-0.4435806     21.82508 
1 1 1 8   37 8  o 112.1373 7.895338 131.9253       17.88921  117.2627       
23.89842  150.6117       26.97911  103.9105 11.50284 117.9607 11.38866 
-14.05023      16.18694 
1 1 1 8   37 9  o 45.84468 14.74556 23.81684       15.60755  32.53906       
20.06485  10.45423       24.83523  52.53167 16.70047 41.74638 17.46390 
10.78529       24.16389 
1 1 1 8   37 10 o 26.62860 12.31430 -9.475799      15.70610  -6.770453      
19.90901  -13.93415      25.55793  31.27500 14.23864 33.31252 15.50908 
-2.037514      21.05399 
1 1 1 8   37 11 o 39.72632 14.47122 17.51298       15.16447  9.754036       
17.65900  39.30434       29.59422  36.04794 14.87251 53.81149 20.10654 
-17.76355      25.00929 
1 1 1 8   37 12 o 71.68805 10.56195 59.16479       14.93583  45.29728       
16.82305  110.7790       32.45565  59.89957 14.05339 88.94505 18.54469 
-29.04548      23.26808 
1 1 1 8   37 13 o 89.18491 9.237633 90.54831       16.51050  79.83981       
18.61563  130.0251       35.74243  81.35081 11.57974 91.67106 19.75585 
-10.32024      22.89943 
1 1 1 8   38 0  o 106.7717 8.845608 119.2971       19.03295  136.2905       
26.49823  101.1863       27.35553  113.0225 11.69860 96.01857 14.45841 
17.00388       18.59846 
1 1 1 8   38 1  o 202.2399 6.525638 421.2526       26.83745  416.1739       
37.42212  426.6306       38.50898  199.7532 9.212621 202.1611 9.367271 
-2.407837      13.13842 
1 1 1 8   38 2  o 172.8557 3.734713 305.1615       13.12781  310.4778       
33.56745  304.2016       14.26388  171.9526 9.638555 172.5124 4.065987 
-0.5597687     10.46107 
1 1 1 8   38 3  o 82.93996 7.393766 71.77477       12.33965  90.43638       
25.72566  66.19812       14.06303  90.24151 14.51046 79.17566 8.887961 
11.06585       17.01615 
1 1 1 8   38 4  o 31.32294 13.77520 -2.351694      16.96874  -2.351694      
16.96874  0.000000       0.000000  31.32294 13.77520 ?        ?        
0.000000       13.77520 
1 1 1 8   38 5  o 29.64357 12.55027 1.878649       13.07351  -21.57506      
18.67879  24.40150       18.30437  26.39909 12.58080 47.46680 16.00186 
-21.06771      20.35525 
1 1 1 8   38 6  o 95.52888 8.118955 95.85469       15.62250  94.33139       
20.87234  97.79517       23.55770  93.44176 11.20811 94.46986 12.57514 
-1.028099      16.84506 
1 1 1 8   38 7  o 29.74945 13.41032 -6.049309      17.13969  6.106084       
29.44073  -12.28134      21.08040  43.09895 18.55523 31.10181 14.34194 
11.99714       23.45182 
1 1 1 8   38 8  o 86.00662 9.692677 79.53799       16.65667  66.57970       
22.23672  96.10374       25.14214  75.86414 14.94559 92.23558 13.83097 
-16.37144      20.36336 
1 1 1 8   38 9  o 72.59927 11.57485 58.89220       16.51445  43.17707       
21.25881  82.80793       26.22539  59.28473 16.84267 83.21156 16.08032 
-23.92683      23.28631 
1 1 1 8   38 10 o 88.31421 9.605123 85.43992       16.97169  72.49388       
20.49086  113.7245       30.28772  78.82858 13.25304 96.47527 15.99885 
-17.64670      20.77513 
1 1 1 8   38 11 o 49.25832 15.40691 31.26760       17.14119  59.71851       
21.48581  -18.54459      28.42965  67.99717 15.83392 32.63864 15.54513 
35.35853       22.18928 
1 1 1 8   38 12 o 33.62225 13.28505 11.54151       13.43292  11.45655       
15.07619  11.86877       29.58804  34.25698 13.89005 39.55962 17.74393 
-5.302647      22.53399 
1 1 1 8   39 0  o 161.8025 7.163425 270.6199       23.56988  267.5721       
33.48137  273.6142       33.18628  159.1490 10.40265 161.0672 10.18456 
-1.918198      14.55817 
1 1 1 8   39 1  o 137.1416 7.758264 195.7173       21.54770  194.8381       
29.15954  196.7749       31.98173  135.4649 10.67170 135.5594 11.71686 
-0.9446716E-01 15.84835 
1 1 1 8   39 2  o 29.84347 9.648378 9.148105       6.675714  46.85985       
23.08428  5.706439       6.973684  63.43285 17.38098 26.24657 9.769516 
37.18628       19.93845 
1 1 1 8   39 3  o 29.10776 11.64056 5.084065       10.43105  -22.24110      
23.20741  12.00199       11.67705  30.31798 14.32346 35.49926 12.73068 
-5.181273      19.16329 
1 1 1 8   39 4  f 86.89611 11.28778 81.73613       19.47512  81.73613       
19.47512  0.000000       0.000000  86.89611 11.28778 ?        ?        
0.000000       11.28778 
1 1 1 8   39 5  o 37.10663 13.57575 12.96122       13.36661  13.92672       
19.03832  12.02264       18.77099  40.89486 15.91735 39.66576 15.69444 
1.229099       22.35347 
1 1 1 8   39 6  o 169.0908 5.616219 294.7372       19.31147  291.9637       
24.89305  298.9294       30.60423  167.5020 7.308136 168.2996 8.974659 
-0.7975311     11.57382 
1 1 1 8   39 7  o 48.42003 15.77175 26.72048       17.81966  16.53996       
30.04730  32.24367       22.13174  46.89225 19.37787 52.60715 17.59616 
-5.714897      26.17492 
1 1 1 8   39 8  f 80.39385 10.04295 70.34228       16.06041  57.19957       
20.82455  89.63371       25.22990  69.57641 15.14803 87.94229 14.62143 
-18.36588      21.05348 
1 1 1 8   39 9  o 98.52477 8.932040 104.8032       17.70112  97.96658       
21.98842  117.3920       29.83765  93.22674 11.86757 99.17661 15.28574 
-5.949867      19.35182 
1 1 1 8   39 10 o 24.14036 11.43413 -13.44102      14.96632  -13.06396      
18.15429  -14.24091      26.44165  27.16339 12.78265 32.81264 15.43676 
-5.649260      20.04220 
1 1 1 8   39 11 o 42.84874 15.18496 23.57190       16.56643  25.83646       
20.01997  18.65312       29.50533  44.28937 16.53956 42.42855 18.42005 
1.860817       24.75591 
1 1 1 8   39 12 o 30.96917 13.46215 5.566135       15.79963  5.566135       
15.79963  0.000000       0.000000  30.96917 13.46215 ?        ?        
0.000000       13.46215 
1 1 1 8   40 0  o 44.57297 15.37561 20.74836       16.91501  26.81602       
22.66822  13.12504       25.40849  50.28470 17.76882 44.24552 17.99820 
6.039185       25.29162 
1 1 1 8   40 1  o 32.38416 14.13730 -1.064575      17.58349  26.21591       
23.52369  -35.60630      26.46984  50.05778 18.05586 29.97514 14.46437 
20.08264       23.13509 
1 1 1 8   40 2  o 136.5391 4.057486 190.7825       11.26589  184.9331       
30.03176  191.7404       12.15344  131.1519 11.37302 136.8114 4.368430 
-5.659500      12.18313 
1 1 1 8   40 3  o 40.30579 12.14788 17.79440       10.78082  -20.63214      
24.66435  26.87006       11.98652  31.78843 14.94017 49.03256 12.09628 
-17.24413      19.22313 
1 1 1 8   40 4  o 207.3775 8.190392 449.8033       34.53963  449.8033       
34.53963  0.000000       0.000000  207.3775 8.190392 ?        ?        
0.000000       8.190392 
1 1 1 8   40 5  o 68.62965 10.22858 51.06775       13.83902  46.29247       
19.48030  55.93333       19.66363  63.08128 15.33515 69.99757 14.29758 
-6.916283      20.96634 
1 1 1 8   40 6  o 37.95923 14.15775 13.55904       14.66006  -2.186861      
20.29331  30.74565       21.20139  33.74922 14.94271 51.52539 17.22240 
-17.77617      22.80123 
1 1 1 8   40 7  o 50.46186 15.89346 30.03574       18.20547  53.04905       
28.56673  14.29654       23.62449  64.31567 19.85251 42.57056 17.34014 
21.74511       26.35911 
1 1 1 8   40 8  o 44.13230 14.77917 22.48392       15.61296  12.78219       
20.56251  35.69196       23.99226  39.78536 16.18834 53.41357 18.31830 
-13.62820      24.44632 
1 1 1 8   40 9  o 27.14568 12.42862 -6.334288      15.44727  -27.63816      
19.11239  33.79903       26.23241  24.47238 11.92064 51.06013 18.95930 
-26.58776      22.39546 
1 1 1 8   40 10 o 28.66527 13.16226 -5.441574      17.49704  -5.441574      
17.49704  0.000000       0.000000  28.66527 13.16226 ?        ?        
0.000000       13.16226 
1 1 1 8   40 11 o 35.24172 14.38274 12.85485       16.29295  14.21199       
19.57618  9.795704       29.39117  37.00488 15.49479 38.36597 17.40249 
-1.361099      23.30097 
1 1 1 8   41 0  o 47.38744 15.83026 24.60388       17.91226  17.43349       
25.60229  31.47900       25.06961  46.04204 18.29369 53.26278 18.69878 
-7.220737      26.15919 
1 1 1 8   41 1  o 61.15588 15.22282 43.17379       18.85713  58.28050       
25.43814  24.74608       28.09545  69.94254 17.83121 50.39936 19.41437 
19.54317       26.36039 
1 1 1 8   41 2  o 123.3074 3.841521 155.5810       9.632604  189.3541       
29.72689  151.6188       10.18198  132.5773 11.12925 121.6703 4.115249 
10.90697       11.86573 
1 1 1 8   41 3  o 49.71745 11.21167 27.48522       11.06485  38.46265       
25.96965  25.05045       12.23054  57.04462 19.06098 47.15700 12.53775 
9.887623       22.81483 
1 1 1 8   41 4  o 38.63334 13.13718 15.69570       12.33828  9.607987       
19.24013  19.94784       16.07996  38.38288 15.64310 43.22025 14.98659 
-4.837368      21.66344 
1 1 1 8   41 5  o 104.0718 7.295673 113.5765       15.34247  98.86507       
20.78778  131.1782       22.73824  95.28279 10.92606 110.3076 10.25416 
-15.02479      14.98422 
1 1 1 8   41 6  o 69.76051 12.87971 55.32000       17.59810  24.41028       
28.26397  74.88938       22.48921  48.98954 19.29803 80.54624 14.25169 
-31.55670      23.99009 
1 1 1 8   41 7  o 23.98325 11.35524 -14.36321      14.73194  4.529352       
19.74907  -38.06472      22.12021  35.49095 15.23689 25.29725 12.42697 
10.19369       19.66196 
1 1 1 8   41 8  o 39.90973 15.89727 15.15242       19.37900  15.15242       
19.37900  0.000000       0.000000  39.90973 15.89727 ?        ?        
0.000000       15.89727 
1 1 1 8   41 9  o 36.34977 14.21452 13.31447       15.23739  12.73792       
18.44337  14.55415       27.04451  37.36948 15.28266 41.38371 17.80038 
-4.014229      23.46089 
1 1 1 8   41 10 o 28.03567 12.36756 1.292021       13.77734  0.8969765      
16.07032  2.387658       26.76301  29.54302 13.17619 35.77899 16.37326 
-6.235975      21.01655 
1 1 1 8   41 11 o 44.47787 15.10437 28.31654       16.30985  34.98650       
19.82422  14.34453       28.69220  47.71199 16.63474 38.30561 17.30125 
9.406380       24.00100 
1 1 1 8   42 0  o 101.3248 9.597271 109.4944       19.53920  143.0433       
27.36725  74.61208       27.90582  114.5503 11.92327 79.07043 17.78603 
35.47984       21.41278 
1 1 1 8   42 1  o 89.52605 11.37780 87.41460       20.24590  58.74696       
27.21377  122.9484       30.29798  69.30459 18.82280 104.2216 14.70421 
-34.91701      23.88539 
1 1 1 8   42 2  o 38.15401 7.533047 15.69090       5.637269  40.44032       
25.26838  14.39456       5.783021  57.99748 18.77346 36.40459 8.027561 
21.59288       20.41775 
1 1 1 8   42 3  o 99.98524 6.437763 104.1121       13.01990  91.36624       
28.54232  107.4612       14.63079  88.12064 16.53531 101.3113 7.147482 
-13.19067      18.01397 
1 1 1 8   42 4  o 98.60159 7.193472 102.0118       14.32409  107.5775       
21.21163  97.34602       19.42122  99.49570 10.64914 94.83321 10.23296 
4.662491       14.76881 
1 1 1 8   42 5  o 31.57430 13.02419 5.313823       13.53917  25.87061       
18.88557  -16.42328      19.42018  47.46568 16.25268 28.02575 13.19829 
19.43993       20.93668 
1 1 1 8   42 6  o 72.04710 18.28533 66.28577       26.83523  66.28577       
26.83523  0.000000       0.000000  72.04710 18.28533 ?        ?        
0.000000       18.28533 
1 1 1 8   42 7  o 29.97058 12.97775 1.703260       14.57007  21.02815       
19.18958  -24.60226      22.38878  43.31440 16.18948 27.93274 13.43412 
15.38166       21.03746 
1 1 1 8   42 8  o 33.47615 13.70779 8.663828       14.86159  17.34952       
18.44725  -7.398420      25.08608  40.10446 15.65201 33.55973 15.53483 
6.544727       22.05259 
1 1 1 8   42 9  o 36.30881 14.04340 14.57078       14.74715  3.993247       
17.42958  41.22281       27.66687  31.94349 14.00658 51.59915 19.40913 
-19.65566      23.93530 
1 1 1 8   42 10 o 79.56848 9.461218 73.18529       15.00866  50.69187       
17.13435  147.3421       31.11112  61.80530 13.96235 104.5294 15.07166 
-42.72411      20.54512 
1 1 1 8   43 0  f 50.97602 15.63165 30.16421       17.74406  68.89137       
25.10009  -8.524721      25.08770  76.19007 16.66428 35.16870 16.00060 
41.02137       23.10233 
1 1 1 8   43 1  o 99.25259 10.49980 106.6368       20.87035  149.2436       
28.58564  57.99971       30.54161  116.3627 12.26519 67.52316 20.46806 
48.83951       23.86160 
1 1 1 8   43 2  o 90.45533 11.52477 90.01390       20.71754  72.77148       
28.43459  109.5250       30.24743  76.84547 18.43292 96.83876 15.91276 
-19.99329      24.35135 
1 1 1 8   43 3  o 41.77485 17.69746 9.565585       26.02232  9.565585       
26.02232  0.000000       0.000000  41.77485 17.69746 ?        ?        
0.000000       17.69746 
1 1 1 8   43 4  o 32.09121 12.84670 7.256235       12.71879  18.58506       
19.10674  -1.758212      17.04369  42.70951 16.11580 30.93899 13.69652 
11.77052       21.14978 
1 1 1 8   43 5  o 56.84431 12.16037 37.13737       13.63164  43.30983       
18.76872  30.24628       19.83124  59.68311 15.37101 49.95347 16.65605 
9.729641       22.66477 
1 1 1 8   43 6  o 59.75487 16.11854 45.02129       20.03660  16.36432       
50.16534  50.46066       21.85561  50.04681 22.71416 62.83492 16.78589 
-12.78811      28.24357 
1 1 1 8   43 7  o 43.93816 14.33567 23.62622       14.72003  34.36220       
18.73778  6.320949       23.78957  51.46169 16.11049 37.34678 16.37007 
14.11492       22.96795 
1 1 1 8   43 8  o 90.48656 8.708591 90.79656       15.82657  86.75454       
19.24273  99.24754       27.82407  86.14513 11.25354 86.32439 16.45085 
-0.1792679     19.93170 
1 1 1 8   43 9  o 26.83749 12.41075 -4.950799      15.95235  -4.011402      
20.53308  -6.381154      25.33679  30.20088 14.00628 32.10437 15.10575 
-1.903494      20.59999 
1 1 1 8   43 10 o 35.41602 13.46447 16.14418       13.40048  14.77521       
15.53739  20.11960       26.47718  34.83595 14.10925 38.82920 17.13616 
-3.993256      22.19728 
1 1 1 8   44 0  o 97.69662 10.38748 103.5730       20.32019  110.0083       
29.54283  97.79482       27.99386  97.24342 15.45690 91.48533 15.60734 
5.758095       21.96600 
1 1 1 8   44 1  o 57.11018 15.53851 38.90224       18.52610  19.26016       
24.84620  63.49564       27.80197  45.47247 18.03601 70.95914 18.92082 
-25.48666      26.13991 
1 1 1 8   44 2  o 33.69419 14.77075 0.3155815      19.37324  -12.82862      
26.98383  14.29869       27.83162  34.79640 16.10885 44.28421 18.50321 
-9.487812      24.53291 
1 1 1 8   44 3  o 49.47161 11.63270 27.92275       11.50602  19.90760       
27.13132  29.68038       12.70510  46.04988 18.64681 50.71965 12.41797 
-4.669773      22.40334 
1 1 1 8   44 4  o 26.69972 11.41060 1.491311       10.98547  1.357431       
16.26943  1.603498       14.89321  31.39234 13.65349 30.38299 13.13861 
1.009350       18.94838 
1 1 1 8   44 5  o 78.64987 10.19859 68.79472       15.92732  42.72551       
24.39379  88.16688       21.02831  56.65164 18.45313 87.72095 12.11129 
-31.06931      22.07263 
1 1 1 8   44 6  o 103.3624 8.597919 116.4860       17.90805  107.5614       
25.67645  124.9392       24.98915  94.62848 13.74529 103.8347 12.05929 
-9.206192      18.28549 
1 1 1 8   44 7  o 66.91483 13.03314 54.84557       17.09695  82.10116       
23.31031  23.11287       25.15208  80.33106 14.81548 43.60059 17.84082 
36.73047       23.19038 
1 1 1 8   44 8  o 20.98593 10.14072 -15.68242      13.12234  -16.57279      
15.69373  -13.61329      23.92410  23.17350 11.17091 29.76607 14.19992 
-6.592569      18.06729 
1 1 1 8   44 9  o 30.17257 12.65846 7.969563       13.10594  4.641753       
15.17726  17.72667       25.98810  29.56597 13.01456 38.21551 16.91554 
-8.649538      21.34278 
1 1 1 8   45 0  f 53.47760 15.68992 34.39742       18.17512  53.44567       
24.84228  12.45800       26.66099  65.12565 18.10424 42.90253 18.02965 
22.22312       25.55057 
1 1 1 8   45 1  o 87.03310 11.72034 84.70102       20.21581  84.17172       
27.00807  85.37540       30.48574  83.23844 16.53865 81.97570 18.70129 
1.262741       24.96528 
1 1 1 8   45 2  o 40.94369 17.94120 6.018550       28.55584  6.018550       
28.55584  0.000000       0.000000  40.94369 17.94120 ?        ?        
0.000000       17.94120 
1 1 1 8   45 3  o 48.50071 10.85723 26.81318       10.44137  44.32654       
26.81871  23.68424       11.33579  57.65265 19.36954 45.10921 12.10528 
12.54344       22.84113 
1 1 1 8   45 4  o 50.84239 12.86436 30.82669       13.31103  45.01816       
23.54873  24.16329       16.13621  58.05539 18.04205 44.74181 15.02458 
13.31358       23.47878 
1 1 1 8   45 5  o 29.07025 12.63774 1.793670       13.92605  -13.30929      
21.50668  12.69823       18.27453  29.55806 13.91057 37.42774 15.24873 
-7.869678      20.64044 
1 1 1 8   45 6  o 30.47744 13.17301 3.861619       14.95656  -13.24670      
21.70036  19.34303       20.64280  29.23012 13.82209 40.91512 16.37088 
-11.68500      21.42559 
1 1 1 8   45 7  o 39.26912 13.63572 19.68193       13.31401  32.71802       
16.60924  -3.753427      22.26957  48.65293 15.15754 31.45580 14.58766 
17.19712       21.03689 
1 1 1 8   45 8  o 26.25412 11.74074 0.6414480      12.85141  4.762859       
15.12916  -10.03889      24.35478  29.67073 13.02881 29.95919 14.30176 
-0.2884541     19.34659 
1 1 1 8   45 9  o 34.04324 13.18339 15.21605       13.00870  7.581221       
14.88823  39.85728       26.74697  30.09274 13.07462 44.90266 18.38847 
-14.80992      22.56284 
1 1 1 8   46 0  o 54.40355 16.23770 36.67728       19.33131  26.15796       
27.97670  46.28878       26.74226  48.60543 19.18284 59.24583 19.32211 
-10.64040      27.22729 
1 1 1 8   46 1  o 54.05667 16.76416 36.86310       20.34309  44.30755       
28.33716  28.94636       29.22221  57.44336 19.89610 49.76031 19.61582 
7.683048       27.93984 
1 1 1 8   46 2  o 83.33665 17.98077 90.11176       29.57720  90.11176       
29.57720  0.000000       0.000000  83.33665 17.98077 ?        ?        
0.000000       17.98077 
1 1 1 8   46 3  o 32.03756 9.802305 11.46315       6.981960  9.944003       
25.96887  11.58151       7.248866  39.91612 17.30507 32.22017 10.00956 
7.695957       19.99142 
1 1 1 8   46 4  o 49.94453 11.01093 29.17018       10.88217  14.35625       
15.22829  44.62933       15.55639  36.99509 14.28134 60.69082 12.99660 
-23.69574      19.30980 
1 1 1 8   46 5  o 46.97974 15.46113 29.35446       17.10834  29.35446       
17.10834  0.000000       0.000000  46.97974 15.46113 ?        ?        
0.000000       15.46113 
1 1 1 8   46 6  o 42.81569 14.35085 24.43976       14.72123  13.71022       
20.60943  35.61703       21.03503  37.00076 15.71626 48.85560 17.12948 
-11.85484      23.24693 
1 1 1 8   46 7  o 26.82640 11.81037 2.344967       12.50262  3.492288       
15.01167  -0.2529148     22.58897  29.04096 12.85530 31.65242 14.68346 
-2.611464      19.51571 
1 1 1 8   46 8  o 26.20708 11.66316 2.217737       12.51853  11.19770       
14.71497  -21.30890      23.81781  31.91715 13.40286 26.56867 13.01969 
5.348478       18.68553 
1 1 1 8   47 0  o 26.75900 12.71599 -17.04951      18.80859  30.41343       
28.14791  -55.33690      25.28115  49.57928 19.33858 24.72028 12.33882 
24.85900       22.93964 
1 1 1 8   47 1  o 38.46092 17.25109 2.918477       27.96712  2.918477       
27.96712  0.000000       0.000000  38.46092 17.25109 ?        ?        
0.000000       17.25109 
1 1 1 8   47 2  o 41.45666 16.14111 19.26251       19.58211  33.64415       
26.71086  2.551652       28.79274  49.91197 19.00146 38.28455 17.30799 
11.62741       25.70257 
1 1 1 8   47 3  o 29.21865 9.458412 9.425181       6.413882  7.640920       
26.10098  9.539847       6.616769  38.15595 16.91759 29.41760 9.612052 
8.738350       19.45756 
1 1 1 8   47 4  o 35.36052 11.72039 14.78569       9.824840  21.62592       
13.39411  6.818599       14.45534  41.37204 13.68338 31.45933 13.25116 
9.912708       19.04805 
1 1 1 8   47 5  o 37.46381 13.66285 17.55351       13.52322  17.55351       
13.52322  0.000000       0.000000  37.46381 13.66285 ?        ?        
0.000000       13.66285 
1 1 1 8   47 6  o 35.87780 13.93431 16.37899       14.56566  21.06352       
21.22426  12.20855       20.02584  39.06715 16.22669 34.92200 15.16821 
4.145145       22.21216 
1 1 1 8   47 7  o 37.53788 12.97173 19.62404       12.04193  28.92215       
14.29928  -3.051130      22.33018  44.20773 14.10302 29.71534 14.04223 
14.49239       19.90175 
1 1 1 8   47 8  o 21.71467 10.32113 -7.545046      12.40416  2.252114       
14.40102  -35.70744      24.41619  26.74693 12.15113 23.97089 11.98907 
2.776045       17.07009 
1 1 1 8   48 0  o 38.92795 17.18652 7.943042       26.65879  7.943042       
26.65879  0.000000       0.000000  38.92795 17.18652 ?        ?        
0.000000       17.18652 
1 1 1 8   48 1  o 74.26932 18.57390 77.95952       27.97941  77.95952       
27.97941  0.000000       0.000000  74.26932 18.57390 ?        ?        
0.000000       18.57390 
1 1 1 8   48 2  f 42.48846 15.99041 22.95058       18.78347  30.76310       
27.38549  16.01007       25.81196  46.93178 18.82842 40.54325 17.41305 
6.388523       25.64613 
1 1 1 8   48 3  f 47.23761 6.644654 24.31411       6.206361  8.713463       
27.15126  25.17420       6.375149  37.65815 16.93591 48.04909 6.707492 
-10.39094      18.21580 
1 1 1 8   48 4  o 39.43153 11.05488 19.21493       9.221741  6.397740       
11.92997  38.24266       14.53572  29.01643 12.11826 54.01555 13.31758 
-24.99912      18.00584 
1 1 1 8   48 5  o 36.57223 13.42151 17.72889       13.07898  17.72889       
13.07898  0.000000       0.000000  36.57223 13.42151 ?        ?        
0.000000       13.42151 
1 1 1 8   48 6  o 20.53616 9.742437 -7.923735      10.95022  -18.52228      
13.30054  14.37291       19.29149  19.75940 9.692296 34.32584 14.89836 
-14.56644      17.77363 
1 1 1 8   48 7  o 18.48114 9.051111 -15.43870      11.46035  -12.20242      
13.75944  -22.76938      20.70858  21.40850 10.35433 23.85143 11.77558 
-2.442928      15.68045 
1 1 1 8   49 0  o 49.96831 19.77879 38.47691       29.82341  38.47691       
29.82341  0.000000       0.000000  49.96831 19.77879 ?        ?        
0.000000       19.77879 
1 1 1 8   49 1  o 40.74804 15.80319 21.08732       18.71404  2.191541       
26.07976  41.14435       26.86918  35.32464 16.16445 50.91941 19.13240 
-15.59477      25.04672 
1 1 1 8   49 2  o 40.86262 15.63516 22.37191       18.14215  13.58877       
25.39634  31.52494       25.92559  38.08982 16.79769 45.38195 18.27976 
-7.292133      24.82563 
1 1 1 8   49 3  o 64.87621 19.11282 70.71200       26.92108  0.000000       
0.000000  70.71200       26.92108  ?        ?        64.87621 19.11282 
0.000000       19.11282 
1 1 1 8   49 4  o 68.54034 9.077871 55.17986       12.34132  24.45970       
22.18216  68.95196       14.85225  39.83033 16.57000 75.81236 9.867743 
-35.98203      19.28567 
1 1 1 8   49 5  o 39.09974 13.18068 22.09099       12.41907  22.09099       
12.41907  0.000000       0.000000  39.09974 13.18068 ?        ?        
0.000000       13.18068 
1 1 1 8   49 6  o 36.52734 12.35715 19.31980       10.91604  18.13037       
13.13487  21.97573       19.62741  34.83915 13.31001 36.15790 15.34677 
-1.318748      20.31452 
1 1 1 8   50 0  o 33.51115 15.88369 -6.646066      28.98009  -6.646066      
28.98009  0.000000       0.000000  33.51115 15.88369 ?        ?        
0.000000       15.88369 
1 1 1 8   50 1  o 28.76125 13.25228 -2.251352      17.94808  11.08304       
25.97046  -14.44290      24.83261  36.54575 16.48753 29.44658 14.15871 
7.099176       21.73264 
1 1 1 8   50 2  o 28.85687 13.20641 0.2011316      17.41536  -12.31683      
24.83669  12.30904       24.42651  29.36958 14.13127 35.72433 16.06517 
-6.354750      21.39586 
1 1 1 8   50 3  o 36.83521 16.41750 18.49399       24.90440  0.000000       
0.000000  18.49399       24.90440  ?        ?        36.83521 16.41750 
0.000000       16.41750 
1 1 1 8   50 4  o 28.32056 11.53389 8.705763       10.45012  6.917408       
20.59910  9.325523       12.12644  31.12820 14.28884 29.33990 12.23245 
1.788296       18.80967 
1 1 1 8   50 5  o 19.69708 9.218586 -4.335022      9.223936  -6.393422      
11.49317  -0.6097883     15.46151  21.05642 9.986869 25.80809 12.03117 
-4.751675      15.63606 
1 1 1 8   51 0  o 26.98947 12.66946 -5.472129      17.64652  4.475499       
25.80935  -14.20484      24.18198  33.52995 15.60192 28.48322 13.76414 
5.046732       20.80556 
1 1 1 8   51 1  o 25.04864 12.04582 -12.14612      17.98982  -23.34113      
28.68135  -4.885247      23.09841  28.45558 14.01212 29.58148 14.06728 
-1.125895      19.85517 
1 1 1 8   51 2  o 32.02934 14.87738 6.707448       23.30244  0.000000       
0.000000  6.707448       23.30244  ?        ?        32.02934 14.87738 
0.000000       14.87738 
1 1 1 8   51 3  o 25.49256 12.10236 -4.959956      16.95637  16.28411       
28.20694  -16.98102      21.21820  34.37991 16.10005 25.02608 12.26886 
9.353838       20.24195 
1 1 1 8   51 4  o 19.86572 9.290585 -3.876183      9.338644  -4.198497      
19.97758  -3.786059      10.56388  26.56912 12.75532 21.04092 9.853234 
5.528208       16.11783 
1 1 1 8   51 5  o 28.00514 10.95836 10.41768       9.060431  1.147429       
11.25848  27.45697       15.26370  23.30002 10.64634 38.47922 14.42765 
-15.17920      17.93046 
1 1 1 8   52 0  o 24.67047 11.90328 -11.33302      17.91416  -23.67505      
29.14571  -3.839436      22.71046  27.76936 13.75707 28.83546 13.77786 
-1.066103      19.47014 
1 1 1 8   52 1  o 46.75432 16.09854 39.86043       18.53889  42.99640       
30.36279  37.99638       23.40902  41.48714 18.32774 42.31400 17.25112 
-0.8268547     25.16957 
1 1 1 8   52 2  o 27.55109 13.21540 -2.600698      21.34310  0.000000       
0.000000  -2.600698      21.34310  ?        ?        27.55109 13.21540 
0.000000       13.21540 
1 1 1 8   52 3  o 39.40023 14.38399 28.09200       14.99404  26.54288       
20.64264  29.82215       21.81548  35.87024 15.48986 36.88086 15.92505 
-1.010620      22.21583 
1 1 1 8   53 0  o 23.58125 11.48894 -11.81259      17.77937  -41.03701      
28.81119  6.160963       22.59462  24.34297 12.28662 29.69948 14.06198 
-5.356506      18.67352 
1 1 1 8   53 1  o 29.81444 14.08498 9.014299       22.43688  0.000000       
0.000000  9.014299       22.43688  ?        ?        29.81444 14.08498 
0.000000       14.08498 
1 1 1 8   53 2  o 37.71095 16.24401 35.98617       22.58710  0.000000       
0.000000  35.98617       22.58710  ?        ?        37.71095 16.24401 
0.000000       16.24401 
1 1 1 8   54 0  o 63.38147 16.06599 76.55666       20.73465  67.06793       
35.39137  81.51574       25.58549  39.41509 18.31689 56.01135 18.91847 
-16.59626      26.33281 
1 1 1 8   54 1  o 32.06686 14.82903 24.26769       22.77479  0.000000       
0.000000  24.26769       22.77479  ?        ?        32.06686 14.82903 
0.000000       14.82903 
1 1 1 9   0  0  o 193.4805 5.385120 381.6176       21.15059  381.6176       
21.15059  381.6176       21.15059  193.4805 5.385120 193.4805 5.385120 
0.000000       0.000000 
1 1 1 9   0  1  o 160.0579 6.144877 261.7272       19.93360  261.7272       
19.93360  261.7272       19.93360  160.0579 6.144877 160.0579 6.144877 
0.000000       0.000000 
1 1 1 9   0  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 9   0  3  o 44.93229 19.62589 29.51982       18.65284  29.51982       
18.65284  29.51982       18.65284  44.93229 19.62589 44.93229 19.62589 
0.000000       0.000000 
1 1 1 9   0  4  o 132.8531 9.027196 182.1402       24.12950  182.1402       
24.12950  182.1402       24.12950  132.8531 9.027196 132.8531 9.027196 
0.000000       0.000000 
1 1 1 9   0  5  o 627.5901 11.80298 4019.298       150.5126  4019.298       
150.5126  4019.298       150.5126  627.5901 11.80298 627.5901 11.80298 
0.000000       0.000000 
1 1 1 9   0  6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 9   0  7  o 135.9783 8.615691 190.7214       23.60454  190.7214       
23.60454  190.7214       23.60454  135.9783 8.615691 135.9783 8.615691 
0.000000       0.000000 
1 1 1 9   0  8  o 242.2681 7.407308 599.9233       36.41566  599.9233       
36.41566  599.9233       36.41566  242.2681 7.407308 242.2681 7.407308 
0.000000       0.000000 
1 1 1 9   0  9  o 379.3556 7.136825 1469.099       55.01183  1469.099       
55.01183  1469.099       55.01183  379.3556 7.136825 379.3556 7.136825 
0.000000       0.000000 
1 1 1 9   0  10 o 125.9817 10.71425 166.1299       26.99187  166.1299       
26.99187  166.1299       26.99187  125.9817 10.71425 125.9817 10.71425 
0.000000       0.000000 
1 1 1 9   0  11 f 134.0564 10.87336 188.1290       29.19307  188.1290       
29.19307  188.1290       29.19307  134.0564 10.87336 134.0564 10.87336 
0.000000       0.000000 
1 1 1 9   0  12 o 23.63578 16.38472 -21.51031      27.27876  -21.51031      
27.27876  -21.51031      27.27876  23.63578 16.38472 23.63578 16.38472 
0.000000       0.000000 
1 1 1 9   0  13 o 21.66029 15.56746 -53.54768      33.20488  -53.54768      
33.20488  -53.54768      33.20488  21.66029 15.56746 21.66029 15.56746 
0.000000       0.000000 
1 1 1 9   0  14 o 45.91661 24.47381 34.26874       31.03422  34.26874       
31.03422  34.26874       31.03422  45.91661 24.47381 45.91661 24.47381 
0.000000       0.000000 
1 1 1 9   0  15 o 88.06065 20.50659 95.55815       31.93181  95.55815       
31.93181  95.55815       31.93181  88.06065 20.50659 88.06065 20.50659 
0.000000       0.000000 
1 1 1 9   0  16 o 43.85773 22.69645 33.38779       26.09016  33.38779       
26.09016  33.38779       26.09016  43.85773 22.69645 43.85773 22.69645 
0.000000       0.000000 
1 1 1 9   0  17 f 25.53346 17.75324 -17.84287      32.64934  -17.84287      
32.64934  -17.84287      32.64934  25.53346 17.75324 25.53346 17.75324 
0.000000       0.000000 
1 1 1 9   0  18 o 25.66448 17.06837 2.059353       23.88112  2.059353       
23.88112  2.059353       23.88112  25.66448 17.06837 25.66448 17.06837 
0.000000       0.000000 
1 1 1 9   1  0  o 381.8159 4.227395 1482.805       32.82301  1439.363       
45.62091  1529.424       47.25995  376.1151 5.964744 387.7019 5.994375 
-11.58688      8.456400 
1 1 1 9   1  1  o 294.8747 3.964781 884.3600       23.77432  901.9455       
33.78711  867.1143       33.45922  297.7475 5.580223 291.9399 5.636000 
5.807556       7.931165 
1 1 1 9   1  2  o 513.4315 5.879960 2682.180       61.39151  2542.386       
101.1700  2763.658       77.23728  499.5488 9.959156 521.0745 7.289130 
-21.52576      12.34165 
1 1 1 9   1  3  f 289.1765 4.333883 850.6107       25.48540  843.9777       
36.34452  857.0273       35.74653  287.9829 6.206128 290.2067 6.057243 
-2.223785      8.672153 
1 1 1 9   1  4  o 119.4659 7.130979 145.8292       17.24484  151.8230       
24.50996  139.9533       24.26762  121.6253 9.998375 116.7014 10.33268 
4.923950       14.37817 
1 1 1 9   1  5  o 285.1363 8.789863 828.7941       50.96664  0.000000       
0.000000  828.7941       50.96664  ?        ?        285.1363 8.789863 
0.000000       8.789863 
1 1 1 9   1  6  o 320.4632 6.444519 1046.079       41.99718  0.000000       
0.000000  1046.079       41.99718  ?        ?        320.4632 6.444519 
0.000000       6.444519 
1 1 1 9   1  7  o 226.9809 5.559639 524.7693       25.66182  503.9907       
30.82909  571.6457       46.30502  222.3428 6.818460 236.4845 9.628840 
-14.14169      11.79856 
1 1 1 9   1  8  o 43.14562 15.65538 15.98958       17.72276  66.53043       
25.31762  -32.57390      24.81741  78.72798 16.34868 30.27320 14.44759 
48.45478       21.81771 
1 1 1 9   1  9  o 275.1223 5.089951 771.4034       28.47677  793.4164       
40.91399  750.7194       39.65977  278.6933 7.219280 271.0952 7.194108 
7.598145       10.19182 
1 1 1 9   1  10 o 279.4642 5.172174 796.3388       29.39346  791.6737       
41.36955  801.0948       41.77061  278.2538 7.311193 279.8987 7.338688 
-1.644867      10.35905 
1 1 1 9   1  11 o 105.1721 9.268714 114.4959       19.62044  94.09430       
27.55024  135.4925       27.94905  93.86758 14.93330 113.7733 12.27466 
-19.90574      19.33056 
1 1 1 9   1  12 f 41.90737 17.16950 7.607977       23.33141  0.6696537      
26.93121  28.48232       46.71271  41.60486 17.82548 62.51323 24.75070 
-20.90837      30.50155 
1 1 1 9   1  13 o 131.1574 10.62106 179.1452       28.08451  194.9938       
40.48764  164.4476       38.98970  135.3596 14.95895 123.8423 15.84541 
11.51730       21.79099 
1 1 1 9   1  14 o 68.92594 16.46365 52.51358       22.75912  49.94786       
33.26318  54.77199       31.20757  67.42279 21.50991 69.96527 20.56865 
-2.542480      29.76148 
1 1 1 9   1  15 o 92.01064 12.29400 90.32229       22.42761  77.14910       
31.25715  104.3010       32.19867  82.43792 19.03093 97.12714 16.91693 
-14.68922      25.46289 
1 1 1 9   1  16 o 47.04562 17.42064 20.86187       22.11722  14.76445       
26.77772  33.95099       39.23341  46.20197 18.58911 59.31909 22.91631 
-13.11712      29.50784 
1 1 1 9   1  17 o 25.40172 12.48393 -41.43167      22.40276  -36.33607      
31.74559  -46.48684      31.61935  33.47552 16.07311 31.58187 15.37254 
1.893646       22.24095 
1 1 1 9   2  0  o 408.9857 4.369482 1701.385       36.34038  1695.968       
51.33195  1706.827       51.45438  408.2564 6.183057 409.5615 6.178055 
-1.305084      8.740627 
1 1 1 9   2  1  f 591.3932 5.528091 3558.215       66.48183  3451.190       
91.64547  3677.096       96.58815  582.2650 7.739963 601.0049 7.903044 
-18.73993      11.06188 
1 1 1 9   2  2  o 418.1328 5.219655 1778.642       44.38206  1693.819       
74.31914  1825.660       55.33194  407.8225 8.961445 423.5635 6.424006 
-15.74100      11.02612 
1 1 1 9   2  3  o 154.0063 5.383123 241.3144       16.85870  217.8261       
24.21301  263.4156       23.48717  146.0277 8.186843 160.8631 7.179970 
-14.83540      10.88928 
1 1 1 9   2  4  o 203.8888 6.874690 423.2177       28.50348  0.000000       
0.000000  423.2177       28.50348  ?        ?        203.8888 6.874690 
0.000000       6.874690 
1 1 1 9   2  5  o 63.51520 14.45812 42.94267       18.25497  45.30464       
23.16193  39.06969       29.65929  65.26031 17.20759 62.58190 20.34566 
2.678417       26.64671 
1 1 1 9   2  6  o 408.3116 5.601862 1697.478       46.51313  1611.854       
80.62814  1740.187       56.94376  397.2851 9.980056 413.2843 6.775569 
-15.99921      12.06275 
1 1 1 9   2  7  o 261.3033 9.687799 698.0023       51.47798  0.000000       
0.000000  698.0023       51.47798  ?        ?        261.3033 9.687799 
0.000000       9.687799 
1 1 1 9   2  8  o 397.2968 5.090256 1607.973       41.12501  1568.860       
57.27719  1649.593       59.08399  392.0650 7.184097 402.0171 7.227264 
-9.952057      10.19042 
1 1 1 9   2  9  o 286.8572 5.056283 838.5977       29.49501  833.2604       
42.08335  843.7508       41.35079  285.5968 7.246120 287.4206 7.074805 
-1.823792      10.12715 
1 1 1 9   2  10 o 223.6320 5.408097 510.0740       24.59403  512.7134       
34.30149  507.2816       35.28165  223.8847 7.534202 222.6491 7.792493 
1.235535       10.83915 
1 1 1 9   2  11 o 58.27791 15.25887 36.80462       18.29628  17.01090       
25.51892  57.74247       26.24610  47.98990 18.49811 72.55984 17.89873 
-24.56995      25.73994 
1 1 1 9   2  12 o 33.57314 15.39639 -15.58234      23.83782  -17.25532      
27.42965  -10.41978      48.18454  36.10598 16.54236 51.61794 22.93138 
-15.51196      28.27539 
1 1 1 9   2  13 f 83.22206 19.13478 77.20801       31.70600  77.20801       
31.70600  0.000000       0.000000  83.22206 19.13478 ?        ?        
0.000000       19.13478 
1 1 1 9   2  14 o 45.54496 18.73232 9.559838       27.90649  8.148300       
31.31691  15.00238       61.49413  47.06537 19.64321 63.55198 27.07436 
-16.48661      33.44961 
1 1 1 9   2  15 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 9   2  16 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 9   2  17 o 47.06591 16.74396 23.54236       20.16132  35.28863       
36.98836  18.57738       24.04769  57.32781 22.22184 45.68557 17.85945 
11.64224       28.50912 
1 1 1 9   3  0  o 638.7469 5.827704 4151.181       75.69684  4042.939       
104.5950  4270.225       109.6897  630.1602 8.162222 647.6135 8.329106 
-17.45331      11.66173 
1 1 1 9   3  1  o 346.1469 4.123684 1218.671       29.02667  1190.779       
40.33176  1248.642       41.80785  342.1075 5.797400 350.3179 5.868730 
-8.210449      8.249353 
1 1 1 9   3  2  o 325.7141 4.785354 1079.187       31.69582  1073.559       
54.72809  1082.027       38.88006  324.7126 8.288191 326.1044 5.862986 
-1.391785      10.15228 
1 1 1 9   3  3  o 356.8352 4.513896 1295.269       32.75448  1320.569       
47.42260  1272.189       45.29432  360.2144 6.474002 353.5635 6.299772 
6.650909       9.033263 
1 1 1 9   3  4  o 377.8361 9.146696 1454.872       70.27795  1454.872       
70.27795  0.000000       0.000000  377.8361 9.146696 ?        ?        
0.000000       9.146696 
1 1 1 9   3  5  f 445.1615 4.982107 2016.623       45.10057  1871.925       
60.99220  2191.193       66.99295  428.7170 6.996039 463.8265 7.102677 
-35.10956      9.969583 
1 1 1 9   3  6  o 225.8885 5.635835 519.5471       25.88832  634.9429       
51.02150  479.5371       30.04294  249.3317 10.06293 216.9459 6.809881 
32.38582       12.15059 
1 1 1 9   3  7  o 459.4999 5.844788 2151.092       54.61421  2165.289       
66.89983  2122.727       94.56248  460.7879 7.139577 455.5304 10.20822 
5.257538       12.45718 
1 1 1 9   3  8  o 46.57917 16.55429 19.56944       19.70244  2.672937       
25.49317  44.63091       31.04765  41.77592 17.59715 65.55514 20.76717 
-23.77921      27.22012 
1 1 1 9   3  9  o 338.7357 4.998721 1169.311       34.43271  1211.192       
50.14042  1131.934       47.36816  344.3376 7.160645 332.9156 6.996825 
11.42197       10.01151 
1 1 1 9   3  10 o 162.6460 7.618229 270.6390       25.19700  254.8972       
29.08476  317.9977       50.44726  157.3772 9.127282 174.3904 14.35280 
-17.01320      17.00912 
1 1 1 9   3  11 o 24.58278 12.14538 -48.74014      22.16735  -37.93414      
25.65084  -80.61766      44.05666  29.68556 14.30287 36.32406 17.78045 
-6.638504      22.81921 
1 1 1 9   3  12 o 41.99816 17.32267 6.878315       23.94859  8.080484       
27.77596  3.395516       47.27706  45.11760 18.63671 54.77375 23.54673 
-9.656151      30.02958 
1 1 1 9   3  13 o 62.09775 17.16030 42.36113       22.39059  22.28129       
29.45769  69.83473       34.45691  52.26440 19.94085 78.70820 21.09806 
-26.44380      29.03043 
1 1 1 9   3  14 o 121.5993 10.02662 154.0268       24.57236  136.4813       
35.41710  170.3110       34.12032  112.3695 15.94673 126.7474 13.44322 
-14.37788      20.85709 
1 1 1 9   3  15 o 113.4241 9.832266 134.5489       22.45395  156.7145       
32.03172  113.1339       31.48470  121.1881 13.21183 101.7336 15.72612 
19.45450       20.53931 
1 1 1 9   3  16 o 43.17954 15.86154 17.41549       18.27301  41.91334       
27.58931  -1.729220      24.38941  60.70204 19.61335 37.88022 16.59024 
22.82182       25.68890 
1 1 1 9   3  17 o 34.85854 15.00448 1.963468       19.24329  13.31667       
34.04552  -3.366370      23.32694  47.87876 20.26073 35.82833 15.93423 
12.05043       25.77590 
1 1 1 9   4  0  o 404.0179 6.184638 1660.933       50.81200  0.000000       
0.000000  1660.933       50.81200  ?        ?        404.0179 6.184638 
0.000000       6.184638 
1 1 1 9   4  1  o 481.4917 6.852686 2359.385       67.09669  0.000000       
0.000000  2359.385       67.09669  ?        ?        481.4917 6.852686 
0.000000       6.852686 
1 1 1 9   4  2  o 590.7355 5.579868 3550.468       67.02988  3701.530       
138.3028  3504.090       76.63164  602.5760 11.28672 586.8036 6.421905 
15.77234       12.98579 
1 1 1 9   4  3  o 286.0465 4.406420 832.3221       25.63149  867.4385       
37.79472  802.4173       34.87757  291.9465 6.366144 280.8021 6.107936 
11.14441       8.822396 
1 1 1 9   4  4  o 337.6722 8.805853 1161.858       60.46696  1161.858       
60.46696  0.000000       0.000000  337.6722 8.805853 ?        ?        
0.000000       8.805853 
1 1 1 9   4  5  o 302.8586 4.616838 933.3060       28.43388  968.7806       
41.27273  901.2589       39.22827  308.4426 6.580175 297.5061 6.484132 
10.93646       9.238111 
1 1 1 9   4  6  o 351.2283 6.865612 1256.987       49.03658  1377.489       
73.13806  1158.584       66.09235  367.2721 9.792737 336.8488 9.648608 
30.42322       13.74749 
1 1 1 9   4  7  o 92.37250 12.12064 88.97411       22.21820  88.97411       
22.21820  0.000000       0.000000  92.37250 12.12064 ?        ?        
0.000000       12.12064 
1 1 1 9   4  8  o 90.10979 10.50605 84.34557       18.89001  84.34557       
18.89001  0.000000       0.000000  90.10979 10.50605 ?        ?        
0.000000       10.50605 
1 1 1 9   4  9  o 178.2807 6.136889 324.2914       22.24867  336.1910       
31.37250  312.2515       31.55706  181.2327 8.512577 174.3799 8.929102 
6.852798       12.33665 
1 1 1 9   4  10 o 282.3702 5.149830 813.0167       29.57081  819.4232       
41.85712  806.6332       41.78187  283.0798 7.271248 280.8521 7.315748 
2.227692       10.31461 
1 1 1 9   4  11 o 36.05936 15.64245 -2.219079      21.24409  3.675220       
42.50049  -4.182329      24.52820  52.59045 22.45881 38.04863 16.65136 
14.54182       27.95829 
1 1 1 9   4  12 o 64.89957 17.94482 46.23128       24.47654  43.12115       
28.65868  54.61616       47.05606  63.35209 19.93893 72.69247 25.61026 
-9.340378      32.45684 
1 1 1 9   4  13 o 36.49172 15.58157 0.7928216      20.45170  10.19565       
29.84999  -7.526455      28.07746  47.13105 19.37785 39.44821 17.51579 
7.682838       26.12095 
1 1 1 9   4  14 o 57.98335 17.39460 36.64040       22.14234  74.25812       
31.52493  0.1290164E-01  31.10724  81.25130 19.35584 43.97017 19.00126 
37.28112       27.12373 
1 1 1 9   4  15 o 48.10056 16.96900 22.77916       20.66523  36.79293       
29.59905  9.451959       28.86489  59.01366 20.34027 45.69862 18.94744 
13.31504       27.79806 
1 1 1 9   4  16 o 117.0582 9.669595 144.2064       22.81161  236.9240       
40.59269  101.4109       27.57817  147.9576 13.64522 95.90649 14.60146 
52.05106       19.98486 
1 1 1 9   4  17 o 48.95941 16.60382 26.70594       19.70858  59.84957       
37.73038  14.26922       23.11235  68.37938 22.97449 43.03705 17.28614 
25.34233       28.75132 
1 1 1 9   5  0  o 138.0511 4.321892 193.8482       12.13292  176.9533       
16.79293  212.2989       17.54910  131.8712 6.262175 144.4474 5.974394 
-12.57619      8.654953 
1 1 1 9   5  1  o 340.7035 5.828381 1181.044       40.38090  0.000000       
0.000000  1181.044       40.38090  ?        ?        340.7035 5.828381 
0.000000       5.828381 
1 1 1 9   5  2  o 144.5358 5.037216 212.5214       14.80531  176.7293       
27.87560  226.5852       17.47360  131.2672 10.53146 149.2295 5.758060 
-17.96227      12.00279 
1 1 1 9   5  3  o 196.3802 5.867772 392.4400       23.43270  417.7193       
28.75781  342.4951       40.42202  202.5719 6.981120 182.9508 10.91477 
19.62114       12.95640 
1 1 1 9   5  4  o 473.1111 9.949109 2282.321       95.71912  2282.321       
95.71912  0.000000       0.000000  473.1111 9.949109 ?        ?        
0.000000       9.949109 
1 1 1 9   5  5  o 719.5352 13.14863 5296.688       192.3907  0.000000       
0.000000  5296.688       192.3907  ?        ?        719.5352 13.14863 
0.000000       13.14863 
1 1 1 9   5  6  o 191.6721 8.219221 374.7212       32.03620  374.9605       
45.57388  374.4874       45.04284  191.0595 11.78751 190.9599 11.65511 
0.9956360E-01  16.57670 
1 1 1 9   5  7  o 118.8648 7.259795 144.6518       17.46393  147.5369       
20.32709  136.5195       34.12717  119.9125 8.388876 114.1402 15.07178 
5.772354       17.24911 
1 1 1 9   5  8  o 254.3512 4.785735 658.9514       24.75334  687.5975       
29.27416  587.0892       46.36629  259.7431 5.542288 239.4596 9.521791 
20.28346       11.01733 
1 1 1 9   5  9  o 357.1371 5.008992 1299.902       36.37783  1341.024       
52.48552  1261.884       50.46592  362.3082 7.123770 351.4694 7.060887 
10.83881       10.03017 
1 1 1 9   5  10 o 317.2022 7.182534 1028.810       46.33032  0.000000       
0.000000  1028.810       46.33032  ?        ?        317.2022 7.182534 
0.000000       7.182534 
1 1 1 9   5  11 o 132.7973 9.300819 182.1231       24.95811  150.8319       
46.79471  194.5631       29.50507  117.3337 20.34973 136.9510 10.67889 
-19.61731      22.98152 
1 1 1 9   5  12 o 163.2589 8.524440 274.6046       28.20233  276.7467       
32.82510  268.5656       55.11594  163.5198 9.918405 158.2256 17.41815 
5.294174       20.04412 
1 1 1 9   5  13 o 117.3909 9.747694 143.2233       23.05906  122.9038       
32.77626  163.1366       32.44709  106.8781 15.53551 124.3323 13.02681 
-17.45419      20.27437 
1 1 1 9   5  14 o 59.31884 18.20556 38.32693       24.06276  99.75636       
40.73262  5.396965       29.82289  93.40054 21.83670 45.05500 19.00855 
48.34554       28.95110 
1 1 1 9   5  15 f 44.05756 16.77213 15.98398       20.81042  46.17029       
30.97618  -8.848183      28.09507  64.35854 20.78108 38.62767 17.31067 
25.73086       27.04649 
1 1 1 9   5  16 o 64.30716 14.26761 46.25299       18.16998  55.72947       
26.44498  37.77863       25.00767  69.17806 18.45679 57.86190 18.67081 
11.31617       26.25361 
1 1 1 9   5  17 o 34.81544 14.34769 6.407810       16.41161  10.25962       
23.45183  2.711174       22.97458  41.29013 17.09577 37.79485 16.33113 
3.495289       23.64257 
1 1 1 9   6  0  o 257.1178 4.452446 672.4443       23.27996  671.9579       
28.25810  673.4717       41.07027  257.0009 5.407007 257.2077 7.852215 
-0.2068176     9.533782 
1 1 1 9   6  1  o 523.9191 7.253232 2793.872       77.27646  2855.897       
110.9879  2735.511       107.6590  529.4191 10.30919 518.1502 10.21746 
11.26886       14.51468 
1 1 1 9   6  2  o 474.4597 5.612405 2290.402       54.15016  2199.077       
91.49644  2339.634       67.17847  464.5962 9.684497 479.4502 6.890253 
-14.85400      11.88550 
1 1 1 9   6  3  o 428.6700 4.825690 1869.458       42.06627  1856.434       
60.75531  1881.451       58.30189  427.0400 6.996233 429.9313 6.668561 
-2.891266      9.665247 
1 1 1 9   6  4  o 344.6629 4.579825 1208.590       32.09925  1154.300       
45.56521  1262.077       45.22706  336.7173 6.654517 352.1089 6.316406 
-15.39160      9.174943 
1 1 1 9   6  5  o 443.5378 6.911485 2003.767       62.33807  0.000000       
0.000000  2003.767       62.33807  ?        ?        443.5378 6.911485 
0.000000       6.911485 
1 1 1 9   6  6  o 425.0739 5.825437 1840.179       50.35521  1840.179       
50.35521  0.000000       0.000000  425.0739 5.825437 ?        ?        
0.000000       5.825437 
1 1 1 9   6  7  o 349.1620 4.731833 1241.320       33.59756  1244.242       
38.94297  1232.814       66.44409  349.4892 5.479537 347.2460 9.409526 
2.243225       10.88873 
1 1 1 9   6  8  o 472.5486 6.087618 2277.087       58.49858  2282.820       
72.71375  2266.569       98.49143  472.7694 7.563376 470.1834 10.30101 
2.586029       12.77949 
1 1 1 9   6  9  o 38.23790 15.09574 8.728967       17.33018  8.084343       
24.86408  9.337997       24.16791  43.50783 17.76321 43.60018 17.61856 
-0.9235001E-01 25.01890 
1 1 1 9   6  10 o 229.3844 5.475623 536.7755       25.54164  541.0605       
36.78436  532.7861       35.49292  229.8923 7.868415 228.1704 7.649464 
1.721909       10.97389 
1 1 1 9   6  11 o 104.2901 12.93069 114.5596       26.83489  0.000000       
0.000000  114.5596       26.83489  ?        ?        104.2901 12.93069 
0.000000       12.93069 
1 1 1 9   6  12 o 112.1569 10.54894 131.0976       23.77679  185.6254       
39.88022  101.0258       29.61614  132.1253 15.11491 96.87094 15.56112 
35.25436       21.69353 
1 1 1 9   6  13 o 64.07301 16.26240 45.19267       21.22523  79.56198       
30.65092  13.52651       29.42089  84.67384 18.33219 48.23649 19.45775 
36.43736       26.73337 
1 1 1 9   6  14 o 121.7941 9.543061 154.2653       23.44644  160.3622       
34.09964  148.7981       32.29080  122.6993 13.91238 118.2292 13.68372 
4.470047       19.51406 
1 1 1 9   6  15 o 150.2307 11.11160 237.2665       33.70504  237.2665       
33.70504  0.000000       0.000000  150.2307 11.11160 ?        ?        
0.000000       11.11160 
1 1 1 9   6  16 f 35.64878 14.71081 5.806244       17.28148  25.70473       
25.33785  -11.50133      23.63077  50.81685 18.67614 33.89241 15.46208 
16.92444       24.24612 
1 1 1 9   6  17 o 51.08603 15.20313 30.09675       16.96475  9.214160       
23.69214  52.07021       24.30308  40.90309 17.07956 65.71633 17.76249 
-24.81324      24.64178 
1 1 1 9   7  0  f 324.1353 4.006691 1068.595       26.40970  1020.068       
36.46999  1122.098       38.29471  316.6395 5.663946 332.0975 5.670505 
-15.45801      8.014668 
1 1 1 9   7  1  o 644.8656 6.823797 4232.236       89.48428  4165.730       
153.6941  4266.342       110.0628  639.1749 11.82459 647.3055 8.361419 
-8.130615      14.48220 
1 1 1 9   7  2  o 51.75772 11.91033 28.41670       12.27543  33.97323       
25.81361  26.79296       13.95422  58.53226 18.97787 50.35718 13.39382 
8.175087       23.22830 
1 1 1 9   7  3  o 277.7138 4.920585 784.6623       27.78854  684.0483       
46.18570  841.7521       34.79025  259.1255 8.764878 287.5986 5.948663 
-28.47302      10.59291 
1 1 1 9   7  4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 9   7  5  o 377.5428 5.488029 1450.957       42.13414  1481.319       
79.15342  1438.952       49.77160  380.9318 10.21812 375.8895 6.511334 
5.042297       12.11641 
1 1 1 9   7  6  o 465.6814 5.977217 2208.885       56.60299  2208.885       
56.60299  0.000000       0.000000  465.6814 5.977217 ?        ?        
0.000000       5.977217 
1 1 1 9   7  7  o 308.7546 5.625862 971.2617       35.32271  928.7040       
43.85093  1049.902       59.60920  301.7255 7.146861 320.4736 9.146808 
-18.74814      11.60783 
1 1 1 9   7  8  o 373.3667 5.436909 1420.785       41.27994  1442.372       
50.79646  1378.807       70.83683  375.9714 6.643963 366.9149 9.493849 
9.056458       11.58773 
1 1 1 9   7  9  o 60.11786 13.54270 38.84363       16.15869  47.79747       
19.56101  19.60654       28.67187  66.59290 14.82588 51.21548 19.64154 
15.37742       24.60888 
1 1 1 9   7  10 o 112.7068 8.477519 130.9256       19.28758  127.5246       
28.49431  133.8015       26.20302  110.2367 12.95829 113.3063 11.53302 
-3.069572      17.34727 
1 1 1 9   7  11 o 178.7655 7.583928 327.3719       27.56952  312.4769       
51.76708  333.2693       32.57319  172.2265 14.92861 180.1166 8.893143 
-7.890091      17.37675 
1 1 1 9   7  12 o 229.2879 5.970442 537.4194       27.83806  507.0307       
38.62712  570.2602       40.15526  222.0867 8.552998 235.5786 8.382147 
-13.49187      11.97556 
1 1 1 9   7  13 o 100.1485 10.97848 105.2014       21.99179  158.0573       
33.20110  63.88218       29.35500  122.1160 13.60099 75.56818 19.09488 
46.54783       23.44357 
1 1 1 9   7  14 o 200.8646 6.956118 413.9891       28.41331  435.4942       
41.20712  394.4975       39.23067  205.0703 9.881392 194.9248 9.929977 
10.14549       14.00880 
1 1 1 9   7  15 o 110.8857 9.799744 128.8133       21.86996  166.8432       
32.28651  96.56940       29.72910  125.0569 12.88012 93.44658 16.23376 
31.61031       20.72275 
1 1 1 9   7  16 o 35.90440 14.95131 5.149199       18.08509  51.29412       
27.37843  -30.57233      24.08860  66.08730 19.21910 29.24683 14.03168 
36.84047       23.79626 
1 1 1 9   7  17 o 41.01183 14.92372 16.85768       16.12152  -12.36761      
22.19775  49.48035       23.45251  31.86061 14.70069 64.07959 17.50288 
-32.21898      22.85741 
1 1 1 9   8  0  o 422.8409 4.479549 1818.656       38.51791  1809.976       
54.23325  1827.491       54.71506  421.7462 6.323580 423.7806 6.349133 
-2.034363      8.960979 
1 1 1 9   8  1  o 664.5300 6.992681 4494.588       94.49519  4291.106       
157.9425  4608.031       117.9302  648.6800 11.97339 672.6872 8.621057 
-24.00720      14.75414 
1 1 1 9   8  2  o 439.2109 5.484853 1962.739       48.98798  2162.232       
90.47721  1880.000       58.26773  460.6633 9.658378 429.7842 6.666936 
30.87912       11.73594 
1 1 1 9   8  3  o 416.0273 5.352578 1761.134       45.28311  1742.462       
79.21508  1770.197       55.18970  413.4894 9.420892 417.0213 6.508012 
-3.531891      11.45022 
1 1 1 9   8  4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 9   8  5  o 641.2385 7.032839 4189.080       91.70683  4064.821       
159.7076  4250.205       112.0148  630.3275 12.45971 645.5993 8.532195 
-15.27179      15.10108 
1 1 1 9   8  6  o 207.8908 7.274037 440.6399       30.75121  440.6399       
30.75121  0.000000       0.000000  207.8908 7.274037 ?        ?        
0.000000       7.274037 
1 1 1 9   8  7  o 219.5419 5.040401 490.9015       22.50266  491.5067       
26.67884  489.4094       41.89001  219.6017 5.974200 218.7459 9.417144 
0.8558502      11.15229 
1 1 1 9   8  8  o 182.2636 5.885317 338.7451       21.81329  338.9730       
26.62857  338.2803       38.03188  182.1961 7.187162 181.3042 10.35843 
0.8919067      12.60763 
1 1 1 9   8  9  o 100.7136 7.833794 104.3811       15.91773  87.24447       
18.42993  154.7008       31.58127  91.63617 10.05545 121.6773 12.96306 
-30.04117      16.40589 
1 1 1 9   8  10 o 206.2979 5.697453 434.3484       23.90160  437.0531       
34.15035  431.7513       33.46403  206.5393 8.130946 205.3047 8.015450 
1.234604       11.41752 
1 1 1 9   8  11 o 116.5716 8.582186 140.2589       20.20120  125.5523       
28.81607  154.4713       28.32782  109.1047 13.26055 121.6489 11.59147 
-12.54420      17.61262 
1 1 1 9   8  12 o 65.96849 15.92314 47.71994       21.11722  24.38806       
27.28857  82.54935       33.34103  52.38662 19.35990 86.06995 19.50072 
-33.68333      27.47878 
1 1 1 9   8  13 o 118.5930 9.546500 146.1122       22.82761  144.2771       
32.76368  147.8436       31.82311  116.3932 14.13236 118.0715 13.49646 
-1.678314      19.54170 
1 1 1 9   8  14 o 143.9710 9.354276 215.1737       27.23800  224.4361       
43.61481  209.2514       34.87513  144.7639 15.03502 140.9232 12.29284 
3.840668       19.42076 
1 1 1 9   8  15 o 31.09821 14.20243 -11.28515      20.00423  3.579209       
29.56002  -23.84413      27.17120  43.70724 18.69935 33.65487 15.77363 
10.05237       24.46371 
1 1 1 9   8  16 o 54.09967 15.79683 33.12001       18.46278  60.44042       
27.79639  11.55080       24.69801  71.58462 18.83893 43.30157 17.69423 
28.28305       25.84552 
1 1 1 9   8  17 o 93.03110 9.378634 92.56618       17.50062  84.48528       
24.60267  100.8431       24.89923  85.95968 14.59665 94.92967 13.26030 
-8.969994      19.72049 
1 1 1 9   9  0  o 312.9107 5.861337 996.2449       37.29654  973.9749       
51.75037  1020.314       53.79987  309.2886 8.228072 316.5537 8.357614 
-7.265106      11.72821 
1 1 1 9   9  1  o 408.4785 4.497780 1697.253       37.36103  1598.396       
72.70557  1732.723       43.55095  396.1468 9.025269 412.6955 5.189393 
-16.54871      10.41082 
1 1 1 9   9  2  o 274.8980 4.202241 768.6788       23.49113  810.1719       
48.46264  755.9354       26.85727  282.0419 8.449715 272.5912 4.845055 
9.450745       9.740237 
1 1 1 9   9  3  f 255.5580 4.936342 664.4941       25.65347  636.5839       
44.75920  678.1476       31.30554  249.9510 8.805947 258.1305 5.963903 
-8.179474      10.63545 
1 1 1 9   9  4  o 331.1826 4.539671 1115.975       30.57337  1107.123       
45.21608  1123.431       41.49742  329.7302 6.743461 332.1924 6.142992 
-2.462219      9.121986 
1 1 1 9   9  5  o 366.5606 10.25157 1372.231       76.41660  1372.231       
76.41660  0.000000       0.000000  366.5606 10.25157 ?        ?        
0.000000       10.25157 
1 1 1 9   9  6  o 258.3167 5.810239 679.7104       30.52094  679.7104       
30.52094  0.000000       0.000000  258.3167 5.810239 ?        ?        
0.000000       5.810239 
1 1 1 9   9  7  o 74.90403 10.61064 58.60873       15.71012  86.80531       
19.26478  2.632792       27.14354  91.45084 10.55287 43.02353 18.14211 
48.42731       20.98808 
1 1 1 9   9  8  o 236.3434 5.316093 569.3313       25.54979  558.9041       
30.99942  591.4189       45.11742  234.0265 6.513839 240.2962 9.233066 
-6.269638      11.29954 
1 1 1 9   9  9  o 62.67619 12.33505 41.92473       15.16170  55.73936       
17.60944  2.335288       29.81025  72.50179 12.38886 44.55159 18.91158 
27.95020       22.60822 
1 1 1 9   9  10 o 152.6122 7.422117 238.3557       23.03395  226.1383       
29.95326  256.0357       36.03260  147.9299 10.01622 157.1002 11.35540 
-9.170258      15.14165 
1 1 1 9   9  11 o 295.2542 5.276610 889.7453       31.68127  830.3830       
44.40549  951.2878       45.21360  284.6336 7.671833 304.7678 7.295393 
-20.13419      10.58677 
1 1 1 9   9  12 o 206.6834 6.917762 437.6102       29.07520  417.4536       
37.86513  466.5695       45.38636  201.2758 9.251167 212.3782 10.50906 
-11.10245      14.00087 
1 1 1 9   9  13 o 45.88691 16.83054 18.73689       20.56275  30.07578       
29.51416  8.041325       28.66468  56.02285 20.22200 45.43345 18.86319 
10.58940       27.65410 
1 1 1 9   9  14 o 54.68631 18.15706 31.42890       23.57570  -20.30840      
37.16694  66.26104       30.49615  42.00352 19.24865 76.45936 19.54047 
-34.45584      27.42883 
1 1 1 9   9  15 o 94.55259 11.51761 95.19443       21.68801  99.61600       
31.99431  91.43534       29.50024  94.26001 17.33005 90.53628 16.63634 
3.723732       24.02287 
1 1 1 9   9  16 o 30.83959 13.75762 -4.813265      17.53069  0.3068819      
26.59422  -8.747848      23.31285  39.87102 17.39653 34.37648 15.55465 
5.494537       23.33637 
1 1 1 9   9  17 o 33.57267 14.00601 5.140078       15.91198  21.87903       
22.68866  -11.06182      22.32172  46.40563 17.54925 32.24720 14.82899 
14.15843       22.97553 
1 1 1 9   10 0  o 102.0858 6.591484 106.4993       13.61049  111.2292       
15.84728  93.20152       26.57150  104.2604 7.525094 94.49621 14.27247 
9.764229       16.13476 
1 1 1 9   10 1  o 374.0838 5.026520 1423.640       38.23735  1385.074       
66.51761  1442.673       46.72996  368.7661 8.870215 376.5266 6.103069 
-7.760468      10.76699 
1 1 1 9   10 2  o 389.7571 5.145205 1545.585       40.78009  1576.006       
73.34449  1531.972       49.06306  393.2952 9.170592 387.9787 6.218639 
5.316559       11.08022 
1 1 1 9   10 3  o 613.3174 5.781130 3828.342       72.10236  4190.007       
155.7588  3729.705       81.34244  640.6233 11.95635 605.2755 6.608649 
35.34784       13.66120 
1 1 1 9   10 4  f 382.6473 4.672009 1489.877       36.35413  1526.658       
54.38313  1460.162       48.88090  387.1665 6.907407 378.6899 6.347519 
8.476532       9.381006 
1 1 1 9   10 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 9   10 6  o 122.7686 7.216697 154.2327       17.93754  123.5690       
21.39696  226.7389       32.90236  109.5227 9.707799 148.4221 10.97918 
-38.89943      14.65550 
1 1 1 9   10 7  o 403.4797 4.908674 1658.159       40.27516  1655.877       
47.04834  1664.415       77.91477  403.0724 5.739973 403.2714 9.501035 
-0.1990662     11.10031 
1 1 1 9   10 8  o 150.7189 6.472706 231.8357       19.83833  249.6959       
24.18865  195.1366       34.67342  156.3054 7.610031 137.0155 12.58511 
19.28981       14.70706 
1 1 1 9   10 9  o 238.4030 4.801526 579.3019       23.27783  603.8091       
27.41626  516.0046       44.06098  243.2952 5.541449 224.1694 9.665545 
19.12573       11.14138 
1 1 1 9   10 10 o 168.2622 5.686417 289.0028       19.45704  284.5912       
22.83079  300.7092       37.19065  166.8420 6.729208 170.4437 10.78566 
-3.601669      12.71270 
1 1 1 9   10 11 o 49.71622 16.04189 25.51808       18.46123  76.64021       
27.95911  -13.99994      24.58195  83.76051 16.99562 34.70597 15.80878 
49.05453       23.21139 
1 1 1 9   10 12 o 94.60893 11.94880 94.45803       22.47572  87.52907       
30.01371  103.3045       33.91327  89.37584 17.13742 97.02158 17.84660 
-7.645737      24.74253 
1 1 1 9   10 13 o 196.3199 6.636280 394.9294       26.49357  378.7538       
37.26669  411.4586       37.67173  191.4598 9.571758 199.6508 9.278827 
-8.190948      13.33099 
1 1 1 9   10 14 o 96.19317 13.02421 98.90317       24.82181  81.47505       
41.46882  108.6335       30.98567  83.51862 23.45253 99.82032 15.79008 
-16.30170      28.27274 
1 1 1 9   10 15 o 123.7722 8.992497 159.8669       22.47906  148.1922       
33.70442  169.2208       30.16896  116.7880 14.50409 126.1761 11.89845 
-9.388153      18.76011 
1 1 1 9   10 16 o 68.96821 14.90220 53.95934       20.29000  77.55466       
39.87819  45.71740       23.56877  78.39262 23.30455 62.50142 17.72633 
15.89120       29.28011 
1 1 1 9   10 17 o 33.70574 14.00972 5.606429       15.83692  10.44069       
22.58906  0.9333237      22.20935  40.47541 16.77002 36.22911 15.85017 
4.246304       23.07513 
1 1 1 9   11 0  o 391.4055 9.036926 1560.385       71.92818  0.000000       
0.000000  1560.385       71.92818  ?        ?        391.4055 9.036926 
0.000000       9.036926 
1 1 1 9   11 1  o 200.5886 4.262713 409.2742       17.38777  514.2136       
38.66163  382.6664       19.46773  224.7014 8.461025 193.9450 4.936116 
30.75642       9.795621 
1 1 1 9   11 2  o 361.0957 5.023695 1326.632       36.88901  1283.209       
64.98313  1347.278       44.80869  354.8799 9.004670 363.8407 6.056191 
-8.960785      10.85180 
1 1 1 9   11 3  o 285.3111 4.285335 828.1362       24.86308  845.1517       
51.47636  822.9588       28.39482  287.9691 8.790437 284.3930 4.909856 
3.576141       10.06869 
1 1 1 9   11 4  o 38.65702 15.10483 9.193348       17.19549  76.33794       
43.11867  -3.504573      18.75107  84.62340 23.96795 33.59556 14.63445 
51.02784       28.08256 
1 1 1 9   11 5  o 411.7168 5.612148 1726.095       46.98715  1744.997       
58.76195  1692.581       78.24564  413.7963 6.983260 407.1450 9.450607 
6.651306       11.75074 
1 1 1 9   11 6  o 200.7005 6.239366 410.5264       25.46480  351.4288       
33.19616  495.0243       39.69406  185.4776 8.801263 220.1256 8.867547 
-34.64809      12.49382 
1 1 1 9   11 7  o 333.1174 4.696879 1130.176       31.81692  1146.974       
37.53304  1087.279       59.97887  335.4792 5.501698 325.9932 9.047704 
9.485992       10.58913 
1 1 1 9   11 8  o 99.34562 8.613232 101.7850       17.22849  92.33669       
20.65952  123.3584       31.21794  94.15070 10.99784 108.1739 14.56149 
-14.02319      18.24799 
1 1 1 9   11 9  o 122.2883 6.746201 153.2674       16.71139  144.3219       
19.10213  182.4454       34.49884  118.4650 7.975829 132.1337 13.00789 
-13.66875      15.25841 
1 1 1 9   11 10 o 174.9171 6.131699 312.5585       21.81044  281.1878       
26.42838  379.5482       38.62002  165.6593 7.845187 191.7737 9.937204 
-26.11440      12.66077 
1 1 1 9   11 11 o 199.3783 5.930900 406.2432       24.04639  392.3960       
34.54427  419.2609       33.49353  195.3822 8.694399 202.0927 8.150023 
-6.710495      11.91702 
1 1 1 9   11 12 o 164.8007 7.580373 278.7647       25.40394  262.6529       
33.23745  301.4000       39.39566  159.0105 10.33508 169.9769 11.46442 
-10.96635      15.43525 
1 1 1 9   11 13 o 156.8538 7.635128 252.7961       24.35358  238.0709       
33.98394  268.3414       34.91735  150.9445 11.15039 160.4425 10.76451 
-9.497971      15.49858 
1 1 1 9   11 14 o 60.66222 18.00504 40.81598       23.81764  23.09208       
42.52336  48.91813       28.75067  57.71843 23.35396 65.99822 19.82603 
-8.279797      30.63460 
1 1 1 9   11 15 o 41.91317 16.29571 13.54576       19.93716  29.54066       
30.59689  1.743155       26.28303  54.99917 20.46517 40.67553 17.52184 
14.32364       26.94138 
1 1 1 9   11 16 o 46.67700 16.41681 22.86760       19.32828  6.924141       
36.93572  28.87991       22.68173  47.63972 20.64583 51.37873 17.80005 
-3.739014      27.25971 
1 1 1 9   11 17 o 48.15533 14.98400 26.89328       16.23674  59.58265       
23.38512  -3.533924      22.56147  70.30104 16.61991 34.73794 15.54390 
35.56310       22.75597 
1 1 1 9   12 0  o 217.7915 4.652902 482.5152       20.60707  383.2197       
35.02997  535.0620       25.48283  193.9701 8.880831 229.3232 5.464473 
-35.35310      10.42735 
1 1 1 9   12 1  o 223.5281 5.190387 508.3555       23.59301  481.3631       
39.81176  522.9662       29.29038  217.3710 9.006547 226.6809 6.354166 
-9.309906      11.02240 
1 1 1 9   12 2  o 597.3525 11.44372 3641.202       139.0110  3641.202       
139.0110  0.000000       0.000000  597.3525 11.44372 ?        ?        
0.000000       11.44372 
1 1 1 9   12 3  o 504.2339 5.889322 2588.054       60.38774  2684.413       
108.9656  2545.342       72.54743  512.9172 10.44698 499.9243 7.136189 
12.99286       12.65166 
1 1 1 9   12 4  o 376.1775 5.341037 1440.448       40.85732  1540.826       
81.30648  1406.538       47.25731  388.4694 10.29241 371.6456 6.253003 
16.82382       12.04299 
1 1 1 9   12 5  o 338.4311 5.357346 1166.248       36.86985  1128.432       
45.38948  1239.601       63.21553  332.7623 6.707638 348.4650 8.920992 
-15.70270      11.16138 
1 1 1 9   12 6  o 331.1895 4.718603 1116.854       31.77909  1110.241       
37.26759  1134.475       60.83797  330.1170 5.551521 333.1680 8.979664 
-3.050995      10.55717 
1 1 1 9   12 7  o 118.0779 7.052864 142.8288       16.85762  143.3391       
20.01713  141.5843       31.26250  118.1076 8.388928 116.4225 13.45262 
1.685127       15.85393 
1 1 1 9   12 8  o 123.1924 7.365173 155.6657       18.36640  156.4148       
22.26880  154.0720       32.47910  123.2357 8.947051 121.3515 13.38422 
1.884270       16.09929 
1 1 1 9   12 9  o 179.4729 5.307252 328.5511       19.36957  290.0188       
22.11007  455.7255       40.16777  168.4924 6.452952 210.6632 9.376432 
-42.17079      11.38236 
1 1 1 9   12 10 o 115.6713 13.26037 140.8234       30.62784  0.000000       
0.000000  140.8234       30.62784  ?        ?        115.6713 13.26037 
0.000000       13.26037 
1 1 1 9   12 11 f 96.51662 8.328828 96.38756       16.18687  120.6641       
19.02933  32.84341       30.78705  107.9798 8.741212 58.16556 20.69124 
49.81428       22.46188 
1 1 1 9   12 12 o 201.0132 6.276551 413.5813       25.65648  440.0215       
37.01709  389.1373       35.59233  206.6758 8.807672 194.3008 9.008042 
12.37506       12.59841 
1 1 1 9   12 13 o 88.13287 15.75349 84.75600       27.19737  119.6262       
31.09063  -28.90611      56.13194  105.4020 14.92234 51.14298 23.51722 
54.25898       27.85204 
1 1 1 9   12 14 o 131.6795 9.862719 181.0019       26.21803  148.8088       
44.03038  198.6869       32.63425  115.0545 19.51650 137.2454 11.80792 
-22.19090      22.81054 
1 1 1 9   12 15 o 216.6555 9.244287 488.9861       40.72813  488.9861       
40.72813  0.000000       0.000000  216.6555 9.244287 ?        ?        
0.000000       9.244287 
1 1 1 9   12 16 o 64.26675 15.66850 47.77615       20.29186  95.77083       
39.63502  30.72759       23.62253  87.13175 22.28152 52.53192 18.16739 
34.59983       28.74927 
1 1 1 9   12 17 o 44.70908 15.17397 22.48778       16.46042  6.505934       
23.09450  38.98941       23.46705  38.80873 16.56399 56.30540 18.07798 
-17.49666      24.51896 
1 1 1 9   13 0  o 244.0600 4.023162 605.8674       19.96713  557.0021       
40.58596  621.4712       22.93460  233.8576 8.534398 247.1696 4.562940 
-13.31200      9.677622 
1 1 1 9   13 1  o 169.4577 6.908809 292.3310       23.80762  465.4466       
37.82973  178.8009       30.63519  213.7486 8.703191 131.8854 11.53891 
81.86316       14.45310 
1 1 1 9   13 2  o 153.0541 5.236505 238.3749       16.29814  257.1004       
35.54767  233.3910       18.33928  158.3444 11.11004 151.4278 5.955596 
6.916672       12.60564 
1 1 1 9   13 3  o 357.6166 4.430020 1301.226       32.21624  1198.731       
63.28306  1337.081       37.42949  342.8704 9.076241 362.4715 5.077952 
-19.60110      10.40018 
1 1 1 9   13 4  o 91.55219 9.558277 86.47529       17.53270  155.6195       
44.96984  74.08115       19.03933  121.4402 18.81875 84.37456 11.38746 
37.06567       21.99590 
1 1 1 9   13 5  o 281.6555 5.238934 807.7954       30.00630  765.9362       
36.94211  888.9624       51.44172  274.1391 6.626731 295.1009 8.572223 
-20.96185      10.83497 
1 1 1 9   13 6  f 171.3200 6.261119 299.2283       21.81280  338.3883       
28.69228  245.6023       33.57618  182.0560 7.750122 154.4423 10.75806 
27.61369       13.25897 
1 1 1 9   13 7  o 229.7031 5.692420 537.9514       26.58982  537.9514       
26.58982  0.000000       0.000000  229.7031 5.692420 ?        ?        
0.000000       5.692420 
1 1 1 9   13 8  o 303.3112 4.634910 937.4398       28.58783  922.1931       
32.97657  983.5579       57.35241  300.7189 5.392539 309.7212 9.106037 
-9.002228      10.58298 
1 1 1 9   13 9  o 49.56129 13.86418 26.27479       14.52090  20.37893       
17.26253  40.54147       26.85298  45.70288 15.53915 61.80569 19.27595 
-16.10281      24.75939 
1 1 1 9   13 10 o 103.5721 8.321134 110.7750       17.37781  105.5971       
21.49648  120.5412       29.52246  100.6034 10.67048 106.6647 13.94452 
-6.061249      17.55872 
1 1 1 9   13 11 o 287.4256 4.867804 843.0743       28.45182  850.7651       
33.52489  823.2731       53.79321  288.5341 5.713718 282.6379 9.359348 
5.896240       10.96558 
1 1 1 9   13 12 o 180.5102 9.341034 337.1987       34.17107  0.000000       
0.000000  337.1987       34.17107  ?        ?        180.5102 9.341034 
0.000000       9.341034 
1 1 1 9   13 13 o 73.25056 18.38845 60.21943       27.34988  63.92373       
31.20478  47.94388       56.80533  75.10400 20.05445 71.35188 27.57196 
3.752121       34.09389 
1 1 1 9   13 14 o 37.56462 16.23174 -0.2140270     22.69604  26.18427       
41.31026  -11.62726      27.16279  58.07804 23.18655 37.07531 16.78160 
21.00273       28.62234 
1 1 1 9   13 15 o 52.85946 16.58909 30.95934       19.85384  74.78801       
31.53698  2.185203       25.55301  79.83818 19.57523 40.17561 17.29173 
39.66257       26.11884 
1 1 1 9   13 16 o 50.54914 16.47371 28.92840       19.44025  -7.232667      
37.97502  41.77032       22.63041  43.75746 19.82104 59.41148 17.52955 
-15.65401      26.46051 
1 1 1 9   13 17 o 115.2045 8.882205 141.9440       20.64797  111.1278       
24.35049  220.8008       38.95270  99.65771 12.27507 139.1158 13.95743 
-39.45809      18.58729 
1 1 1 9   14 0  o 344.1385 4.247443 1204.704       29.72434  1232.744       
61.88284  1196.294       33.88986  347.8709 8.747837 342.9118 4.859996 
4.959167       10.00721 
1 1 1 9   14 1  o 527.0118 7.408637 2828.233       79.39809  2588.630       
106.2216  3131.602       119.5234  503.8316 10.36755 554.1201 10.60713 
-50.28848      14.83230 
1 1 1 9   14 2  o 430.5192 4.704369 1885.857       41.18559  1678.717       
78.52670  1964.458       48.37263  405.7514 9.517126 439.3499 5.414244 
-33.59845      10.94942 
1 1 1 9   14 3  o 236.0369 4.451542 566.8944       21.36691  481.9813       
44.52233  592.3036       24.35489  217.3120 10.07495 241.2470 4.964468 
-23.93504      11.23168 
1 1 1 9   14 4  o 336.5713 4.520016 1152.880       30.93630  1149.205       
46.72519  1155.749       41.28012  335.8304 6.841944 336.8665 6.026034 
-1.036102      9.117307 
1 1 1 9   14 5  o 155.3424 5.861618 245.8492       18.51650  270.6605       
22.77646  197.4891       31.79834  162.9317 6.874313 138.3860 11.40100 
24.54568       13.31312 
1 1 1 9   14 6  o 217.4076 5.909120 481.8113       26.12455  485.0263       
34.40943  477.4363       40.14059  217.9304 7.764407 216.0363 9.137040 
1.894058       11.99048 
1 1 1 9   14 7  o 135.0212 10.51016 188.2881       28.63041  188.2881       
28.63041  0.000000       0.000000  135.0212 10.51016 ?        ?        
0.000000       10.51016 
1 1 1 9   14 8  o 294.4060 5.596202 884.2144       33.50360  880.3348       
42.61399  890.4941       54.21666  293.4538 7.141033 294.6620 9.048098 
-1.208130      11.52660 
1 1 1 9   14 9  o 381.6457 4.884293 1485.275       37.90648  1508.925       
44.69314  1424.654       71.55456  384.4655 5.716524 372.2937 9.451488 
12.17184       11.04578 
1 1 1 9   14 10 o 46.39009 14.43194 22.47609       15.06318  27.38737       
17.74889  9.830616       28.48011  50.91206 15.63739 46.32952 18.97408 
4.582539       24.58747 
1 1 1 9   14 11 o 51.37506 16.33904 27.71830       19.20436  17.61389       
26.05803  39.73124       28.41259  48.27763 18.66903 61.14180 19.91523 
-12.86417      27.29742 
1 1 1 9   14 12 o 81.23685 10.47243 69.47816       16.89739  70.62269       
19.55093  66.09935       33.59200  81.44093 12.17918 76.36117 20.98487 
5.079765       24.26308 
1 1 1 9   14 13 o 94.65865 15.33737 97.40804       28.51302  97.07944       
32.37533  98.54400       60.19585  93.57166 17.66196 90.38831 28.94662 
3.183350       33.90946 
1 1 1 9   14 14 o 69.30353 15.52649 53.46629       21.33880  45.19984       
32.59159  59.66876       28.23117  63.89351 21.35328 72.22888 18.97474 
-8.335377      28.56578 
1 1 1 9   14 15 o 93.85664 10.74862 93.92088       20.14502  95.35792       
31.01354  92.87202       26.49566  91.43044 17.31444 91.54653 14.73228 
-0.1160965     22.73390 
1 1 1 9   14 16 o 73.06065 12.52076 59.38842       17.93290  35.82482       
27.06765  77.82281       23.94110  55.57277 19.43412 82.57582 14.80107 
-27.00305      24.42861 
1 1 1 9   14 17 o 44.05359 16.03440 21.21806       18.61206  52.44807       
23.23388  -34.71841      31.09447  64.84180 17.30002 32.49340 15.67893 
32.34839       23.34779 
1 1 1 9   15 0  o 92.54092 7.254726 87.72918       13.54296  117.6747       
28.42180  78.93277       15.40416  106.4978 13.42190 87.58467 8.766581 
18.91314       16.03123 
1 1 1 9   15 1  o 202.6855 5.349364 418.0546       22.04836  396.1683       
40.50323  427.2713       26.28399  196.8329 10.15366 204.8738 6.308896 
-8.040878      11.95403 
1 1 1 9   15 2  o 524.7186 5.199995 2802.031       55.48566  2802.013       
113.3278  2802.037       63.63433  523.9521 10.63637 524.6431 5.964528 
-0.6909790     12.19459 
1 1 1 9   15 3  o 454.9292 5.491732 2106.877       50.80478  0.000000       
0.000000  2106.877       50.80478  ?        ?        454.9292 5.491732 
0.000000       5.491732 
1 1 1 9   15 4  o 140.9105 5.636971 202.2092       16.15254  174.7031       
26.14175  219.1954       20.54324  130.3851 9.934269 146.6521 6.888574 
-16.26700      12.08893 
1 1 1 9   15 5  o 371.8140 4.706091 1407.594       35.58259  1411.559       
41.97244  1397.463       67.08900  372.2369 5.544895 369.8073 8.921224 
2.429626       10.50400 
1 1 1 9   15 6  o 314.2854 4.645109 1006.008       29.68735  1013.958       
35.18271  986.3550       55.31979  315.4200 5.485152 310.5327 8.760357 
4.887268       10.33590 
1 1 1 9   15 7  o 47.82730 15.42047 23.21513       17.06114  23.21513       
17.06114  0.000000       0.000000  47.82730 15.42047 ?        ?        
0.000000       15.42047 
1 1 1 9   15 8  o 189.5477 5.186636 366.4031       19.99197  353.3956       
23.45467  400.9599       38.22959  186.0335 6.199930 197.5872 9.514577 
-11.55370      11.35633 
1 1 1 9   15 9  o 30.26533 12.97694 -0.4287127     14.29258  0.9204291      
16.74779  -4.045002      27.41956  33.38924 14.17426 40.34523 17.63226 
-6.955986      22.62313 
1 1 1 9   15 10 o 79.19305 9.987299 65.66830       15.72605  74.28489       
18.74340  45.17963       28.90265  83.99778 11.25621 64.58578 19.97436 
19.41200       22.92765 
1 1 1 9   15 11 o 239.8609 6.083322 588.5986       29.67233  620.3280       
39.23857  546.2211       45.34718  245.7383 7.852156 229.9780 9.696445 
15.76025       12.47708 
1 1 1 9   15 12 o 158.7617 6.312803 258.1739       20.38071  247.7042       
24.14402  284.1277       38.01400  155.2430 7.647968 164.8202 11.41202 
-9.577164      13.73774 
1 1 1 9   15 13 f 133.7578 11.09501 187.6939       29.90610  154.1107       
33.85007  307.1440       63.83984  119.9415 14.15085 166.7651 19.17389 
-46.82364      23.83033 
1 1 1 9   15 14 o 146.2445 7.847690 221.4454       23.25325  230.9460       
35.33742  214.1897       30.88132  147.6821 11.86692 142.7170 10.71896 
4.965118       15.99125 
1 1 1 9   15 15 f 119.0419 13.23949 154.1151       31.50665  154.1151       
31.50665  0.000000       0.000000  119.0419 13.23949 ?        ?        
0.000000       13.23949 
1 1 1 9   15 16 o 100.0435 14.09280 112.9456       27.87615  112.9456       
27.87615  0.000000       0.000000  100.0435 14.09280 ?        ?        
0.000000       14.09280 
1 1 1 9   15 17 o 42.08721 16.11525 17.94162       19.28199  10.34147       
23.58010  33.27987       33.49828  40.21739 16.93144 53.10229 20.98014 
-12.88490      26.95997 
1 1 1 9   16 0  o 347.4004 4.839348 1227.924       34.18759  1197.697       
62.30832  1240.943       40.89280  342.8226 8.937687 349.1888 5.758841 
-6.366180      10.63233 
1 1 1 9   16 1  o 467.4726 4.848722 2223.616       46.09299  2303.755       
97.14814  2200.334       52.36194  475.2343 10.05253 464.9658 5.537876 
10.26843       11.47700 
1 1 1 9   16 2  o 690.7138 12.77114 4880.107       179.3821  4880.107       
179.3821  0.000000       0.000000  690.7138 12.77114 ?        ?        
0.000000       12.77114 
1 1 1 9   16 3  o 229.4624 4.800319 535.9039       22.39923  0.000000       
0.000000  535.9039       22.39923  ?        ?        229.4624 4.800319 
0.000000       4.800319 
1 1 1 9   16 4  o 114.7764 7.779523 135.0014       18.05031  0.000000       
0.000000  135.0014       18.05031  ?        ?        114.7764 7.779523 
0.000000       7.779523 
1 1 1 9   16 5  o 186.5017 5.179409 354.3081       19.64330  375.4894       
24.24627  313.8521       33.50887  191.9187 6.212642 174.9082 9.456152 
17.01042       11.31440 
1 1 1 9   16 6  o 127.1469 7.051459 165.5592       18.16063  173.0053       
23.32182  154.0889       28.94583  129.7147 8.895152 121.8401 11.83193 
7.874649       14.80264 
1 1 1 9   16 7  o 254.4312 5.500133 660.2043       28.45739  660.2043       
28.45739  0.000000       0.000000  254.4312 5.500133 ?        ?        
0.000000       5.500133 
1 1 1 9   16 8  o 258.3171 5.339205 680.7311       28.04666  667.4937       
34.91225  704.8209       47.09682  255.5452 6.718289 262.0906 8.836672 
-6.545349      11.10055 
1 1 1 9   16 9  o 310.1243 4.781400 980.8771       30.15382  965.2839       
35.03123  1025.472       59.24187  307.4751 5.602656 315.7921 9.225204 
-8.317017      10.79325 
1 1 1 9   16 10 f 144.4899 6.254368 213.5405       18.37690  193.1467       
21.61101  266.7957       34.92253  136.9781 7.790597 160.2290 10.78069 
-23.25090      13.30101 
1 1 1 9   16 11 f 150.0084 7.803213 231.8271       23.72132  229.1865       
31.58085  235.2456       35.93297  148.3569 10.53655 149.8387 11.89052 
-1.481827      15.88720 
1 1 1 9   16 12 o 157.8906 6.219332 255.3545       19.96877  245.7507       
23.48612  280.4093       37.93465  154.6416 7.468502 163.6443 11.47198 
-9.002747      13.68886 
1 1 1 9   16 13 o 121.6641 9.197759 154.0601       22.58790  154.0601       
22.58790  0.000000       0.000000  121.6641 9.197759 ?        ?        
0.000000       9.197759 
1 1 1 9   16 14 o 29.02882 13.57450 -17.43330      19.92758  -25.66539      
30.76806  -11.48490      26.15443  35.85236 16.79771 36.13740 16.40112 
-0.2850418     23.47679 
1 1 1 9   16 15 o 71.11124 13.85593 56.49900       19.31642  47.85471       
29.05296  63.34769       25.86006  63.57155 20.08369 73.67897 17.51662 
-10.10742      26.64933 
1 1 1 9   16 16 o 24.01087 11.55097 -21.77980      16.57800  -11.35170      
25.39076  -29.52855      21.88714  34.43436 15.82767 27.09771 13.09465 
7.336649       20.54227 
1 1 1 9   16 17 o 72.84643 13.68227 62.12446       19.52408  66.73244       
23.80773  52.66145       34.11755  73.57663 16.33765 61.52753 21.79294 
12.04910       27.23694 
1 1 1 9   17 0  o 509.6208 7.129489 2644.832       73.88511  2527.777       
104.4343  2762.135       104.5445  497.7883 10.31684 520.4237 9.878535 
-22.63538      14.28365 
1 1 1 9   17 1  o 117.7494 5.835955 141.1411       13.97404  124.6737       
32.13375  144.9816       15.51822  109.3386 14.83537 119.1527 6.428304 
-9.814117      16.16822 
1 1 1 9   17 2  o 299.8194 5.119978 914.9575       31.21614  943.7972       
58.34395  903.3905       36.94966  304.1226 9.433996 297.8520 6.100402 
6.270569       11.23455 
1 1 1 9   17 3  o 203.5953 4.932273 421.9599       20.42050  0.000000       
0.000000  421.9599       20.42050  ?        ?        203.5953 4.932273 
0.000000       4.932273 
1 1 1 9   17 4  o 209.7001 4.568249 447.6735       19.48049  476.0832       
32.45029  431.6665       24.35787  216.0340 7.386611 205.8369 5.819216 
10.19701       9.403472 
1 1 1 9   17 5  o 285.0795 5.421997 828.1310       31.43233  802.4865       
40.23473  868.2941       50.35209  280.4194 7.055725 291.4497 8.495766 
-11.03030      11.04361 
1 1 1 9   17 6  o 257.0052 4.680328 672.9120       24.46074  695.1448       
29.28917  621.6555       44.47185  261.1168 5.515957 246.3963 8.875636 
14.72041       10.45001 
1 1 1 9   17 7  o 430.3050 7.289959 1893.337       63.79005  1893.337       
63.79005  0.000000       0.000000  430.3050 7.289959 ?        ?        
0.000000       7.289959 
1 1 1 9   17 8  o 64.19940 11.60262 43.84994       14.58990  45.72136       
17.48600  39.56166       26.46958  65.15691 13.63490 61.07426 19.15259 
4.082649       23.51026 
1 1 1 9   17 9  o 102.2308 9.623466 108.5511       19.77074  93.64070       
26.87815  126.1296       29.18408  93.56994 14.60264 109.2557 13.41762 
-15.68579      19.83103 
1 1 1 9   17 10 o 194.8451 6.443893 388.5753       25.53225  381.6641       
33.39777  398.2952       39.60724  192.6282 8.526020 196.1289 9.963466 
-3.500778      13.11349 
1 1 1 9   17 11 o 237.6175 6.195828 578.0812       29.93845  598.8640       
39.61285  550.3969       45.71941  241.2701 8.073860 230.6862 9.746025 
10.58386       12.65592 
1 1 1 9   17 12 o 79.38235 10.89227 66.70368       17.11949  61.60958       
20.75682  77.54044       30.27448  75.28413 14.07583 83.14604 18.39291 
-7.861916      23.16092 
1 1 1 9   17 13 o 91.77179 12.80974 90.29765       23.25396  90.29765       
23.25396  0.000000       0.000000  91.77179 12.80974 ?        ?        
0.000000       12.80974 
1 1 1 9   17 14 f 52.73684 16.80430 30.51687       20.30618  36.62348       
31.07348  25.96534       26.82680  58.56090 20.79203 51.79972 19.18497 
6.761185       28.29084 
1 1 1 9   17 15 o 106.7924 14.53706 127.0776       30.74921  127.0776       
30.74921  0.000000       0.000000  106.7924 14.53706 ?        ?        
0.000000       14.53706 
1 1 1 9   17 16 o 79.71546 11.14122 70.01473       17.56682  43.57702       
24.64623  97.31496       25.04504  59.28867 18.46301 92.49441 13.73234 
-33.20574      23.00999 
1 1 1 9   18 0  o 434.1917 5.394551 1918.724       47.63084  1799.104       
81.18262  1981.516       58.81836  420.0041 9.505133 441.1353 6.556765 
-21.13129      11.54724 
1 1 1 9   18 1  o 18.80698 9.143908 -19.59399      11.10209  -26.93509      
26.00797  -17.95822      12.27684  32.80829 15.39453 20.84066 10.00359 
11.96762       18.35929 
1 1 1 9   18 2  o 134.8725 7.626141 186.0240       20.83035  0.000000       
0.000000  186.0240       20.83035  ?        ?        134.8725 7.626141 
0.000000       7.626141 
1 1 1 9   18 3  o 252.6214 4.170388 649.4846       21.42387  631.7554       
45.97687  654.4019       24.21323  248.7126 9.090549 253.5440 4.696216 
-4.831375      10.23194 
1 1 1 9   18 4  o 88.85310 7.598889 81.16080       13.59804  57.83455       
23.12919  93.48232       16.81009  73.43227 15.94581 95.24632 8.777788 
-21.81406      18.20215 
1 1 1 9   18 5  o 158.0428 5.577981 254.5995       17.92681  262.2548       
22.07213  239.7620       30.72871  160.3064 6.770833 152.6356 9.954540 
7.670792       12.03898 
1 1 1 9   18 6  o 93.33296 8.099338 89.78899       15.21979  67.53892       
18.67471  133.8020       26.26507  80.14101 11.81333 113.4239 11.54845 
-33.28284      16.52034 
1 1 1 9   18 7  o 84.87244 8.892690 74.68266       15.12005  75.11461       
18.23750  73.73304       27.04092  84.72886 10.83279 82.48502 16.69408 
2.243843       19.90079 
1 1 1 9   18 8  o 286.6731 4.706045 837.9926       27.43433  869.8964       
32.86470  764.6612       49.82577  291.9187 5.536258 272.8130 8.981266 
19.10574       10.55051 
1 1 1 9   18 9  o 89.60549 10.98476 84.25475       19.59679  45.19961       
26.60796  130.5537       28.97063  64.32558 19.01574 111.2256 13.05697 
-46.90005      23.06692 
1 1 1 9   18 10 o 102.9382 7.962758 109.5167       16.53866  114.5704       
20.26113  99.42567       28.63030  104.9229 9.602525 96.01476 15.16716 
8.908096       17.95135 
1 1 1 9   18 11 o 181.6685 5.715048 337.6395       21.11305  323.4707       
24.95207  373.3539       39.61514  177.5643 6.910340 189.4614 10.32119 
-11.89709      12.42094 
1 1 1 9   18 12 o 143.4872 6.721792 211.2865       19.61325  211.1425       
23.44639  211.6218       35.79425  142.9212 8.100605 141.4796 12.57237 
1.441666       14.95608 
1 1 1 9   18 13 o 167.1847 6.428308 286.9915       21.85469  281.8717       
25.25384  302.2629       43.61510  165.3932 7.508589 168.7233 12.80747 
-3.330032      14.84622 
1 1 1 9   18 14 o 93.26123 9.881140 91.97759       18.45413  69.12321       
21.27216  161.5012       37.10163  79.27753 13.68994 120.9660 15.43443 
-41.68851      20.63095 
1 1 1 9   18 15 o 74.90128 14.26479 63.43441       20.93381  3.063313       
37.51536  90.73187       25.22643  46.43125 20.44919 89.90769 14.27478 
-43.47644      24.93870 
1 1 1 9   18 16 o 59.59531 13.88222 41.48929       16.51095  39.15860       
24.15064  43.53465       22.62406  56.19644 18.36366 59.26344 17.53856 
-3.066994      25.39341 
1 1 1 9   19 0  o 163.0235 5.323300 270.5089       17.64748  277.1720       
33.42417  267.9334       20.77999  164.4936 10.04025 162.2113 6.299599 
2.282303       11.85292 
1 1 1 9   19 1  o 187.2777 4.397807 356.9026       16.74841  289.5687       
36.18845  375.2564       18.89366  168.0224 10.64637 192.0162 4.838678 
-23.99382      11.69436 
1 1 1 9   19 2  o 158.0617 6.955520 254.6352       22.35670  0.000000       
0.000000  254.6352       22.35670  ?        ?        158.0617 6.955520 
0.000000       6.955520 
1 1 1 9   19 3  o 64.81972 9.212781 43.78407       11.80191  56.01259       
26.72229  40.82084       13.15435  72.12910 18.21446 62.27261 10.77795 
9.856495       21.16438 
1 1 1 9   19 4  o 329.7437 8.329257 1111.114       55.85143  0.000000       
0.000000  1111.114       55.85143  ?        ?        329.7437 8.329257 
0.000000       8.329257 
1 1 1 9   19 5  f 327.2052 4.586694 1090.586       30.51908  1091.893       
36.22278  1087.390       56.65986  327.2785 5.442681 325.9863 8.547218 
1.292267       10.13300 
1 1 1 9   19 6  o 203.2932 4.909112 421.2616       20.29444  425.7645       
24.49311  411.3992       36.24821  204.2640 5.896587 200.3291 8.897976 
3.934937       10.67444 
1 1 1 9   19 7  f 128.4836 6.261889 168.6425       16.36079  180.2800       
20.07580  145.6295       28.23115  132.5029 7.481272 118.1013 11.91799 
14.40154       14.07153 
1 1 1 9   19 8  o 114.8394 7.092381 135.5186       16.48176  121.5996       
19.86764  166.2406       29.51654  108.3780 9.098954 126.1987 11.63257 
-17.82063      14.76847 
1 1 1 9   19 9  o 257.1190 6.245456 676.2553       32.65501  690.9448       
45.59754  660.7889       46.78778  259.1812 8.651402 253.3136 9.082859 
5.867630       12.54373 
1 1 1 9   19 10 f 155.9259 7.349388 249.5689       23.30348  227.3187       
31.01850  278.4000       35.30899  147.7742 10.38821 163.5022 10.67829 
-15.72804      14.89768 
1 1 1 9   19 11 o 113.5179 7.954125 133.2821       18.24550  121.3392       
21.92416  160.1872       32.90676  107.7115 10.12839 122.7121 13.40506 
-15.00063      16.80118 
1 1 1 9   19 12 o 136.9026 7.181432 193.1892       19.92308  174.6039       
23.85876  236.0014       36.21157  129.5894 9.111674 149.6153 12.00305 
-20.02589      15.06970 
1 1 1 9   19 13 o 45.56439 15.61816 21.09112       17.43991  -2.737730      
20.84218  76.73627       31.84970  34.94613 15.32002 81.59172 19.46748 
-46.64559      24.77268 
1 1 1 9   19 14 o 71.35343 12.72323 55.87473       17.78435  32.25886       
21.03222  115.1215       33.31314  53.72819 17.10016 100.8448 16.83841 
-47.11658      23.99891 
1 1 1 9   19 15 o 22.54167 10.87327 -21.14394      14.92467  -48.73193      
20.81857  8.025785       21.40706  22.78906 11.34614 39.05639 16.26548 
-16.26733      19.83181 
1 1 1 9   19 16 o 31.27375 13.54556 1.394826       15.88119  -3.181861      
23.03397  5.541728       21.92578  34.81701 15.63353 37.39073 16.05363 
-2.573715      22.40817 
1 1 1 9   20 0  o 317.8860 4.133612 1028.188       26.72099  952.9323       
55.44478  1050.955       30.49629  305.6353 8.920838 321.3550 4.666707 
-15.71964      10.06775 
1 1 1 9   20 1  f 103.8784 8.109583 110.7215       16.99494  0.000000       
0.000000  110.7215       16.99494  ?        ?        103.8784 8.109583 
0.000000       8.109583 
1 1 1 9   20 2  o 27.54413 11.63378 0.6046129      11.19116  -9.080211      
26.61256  2.685189       12.33482  38.42482 17.05748 30.12447 12.42942 
8.300346       21.10564 
1 1 1 9   20 3  f 400.8786 4.489613 1636.173       36.59933  1702.808       
77.65350  1617.143       41.49751  408.0472 9.358349 398.4602 5.121365 
9.587036       10.66804 
1 1 1 9   20 4  o 159.5662 6.042032 259.6398       19.60539  289.2740       
26.80933  225.5741       28.74408  168.2593 7.835299 148.0989 9.595948 
20.16034       12.38847 
1 1 1 9   20 5  o 276.3103 4.541714 777.7993       25.51927  751.9498       
30.15854  842.9705       47.88644  271.5614 5.461236 287.0174 8.204514 
-15.45605      9.855919 
1 1 1 9   20 6  o 142.0779 5.629305 205.9720       16.26420  206.8990       
19.62959  203.9419       29.04801  142.2838 6.784287 140.4454 10.24144 
1.838409       12.28469 
1 1 1 9   20 7  o 119.9214 6.664421 147.5032       16.18804  129.4840       
19.31156  190.0881       29.68780  112.0084 8.542851 135.2888 10.88315 
-23.28037      13.83558 
1 1 1 9   20 8  o 152.4823 5.818237 237.5651       18.04107  233.7951       
21.89141  245.5459       31.85102  151.0836 7.125330 153.9149 10.23467 
-2.831299      12.47072 
1 1 1 9   20 9  o 139.6682 6.949543 199.9151       19.73809  191.3502       
25.07559  213.8655       32.00237  135.9650 9.122136 143.1933 11.07641 
-7.228348      14.34922 
1 1 1 9   20 10 o 84.17756 12.15440 75.41250       20.20296  45.42450       
27.46153  110.7904       29.82748  64.10169 19.40354 101.3624 14.91671 
-37.26076      24.47459 
1 1 1 9   20 11 o 146.3522 6.545950 219.7015       19.48154  208.1019       
23.40030  245.8993       35.16685  141.8732 8.145052 153.0990 11.37691 
-11.22578      13.99200 
1 1 1 9   20 12 o 141.1481 7.042881 204.8383       20.21514  188.0854       
24.33286  242.1597       36.31845  134.5169 8.946407 151.5073 11.88336 
-16.99046      14.87455 
1 1 1 9   20 13 o 53.60298 15.03476 31.94028       17.05278  38.08517       
20.07246  16.00082       32.32812  58.21820 16.30551 49.77872 20.28122 
8.439476       26.02302 
1 1 1 9   20 14 o 61.17271 14.26862 42.22155       17.42413  27.86082       
20.28190  82.68283       34.04397  50.44358 16.84488 82.87418 20.34985 
-32.43060      26.41716 
1 1 1 9   20 15 o 79.75037 11.72268 70.16004       18.44396  72.64674       
22.25269  64.70255       32.96606  79.77596 14.23936 70.90714 21.21377 
8.868828       25.54963 
1 1 1 9   20 16 o 34.95555 15.72421 -2.938903      23.42138  -2.938903      
23.42138  0.000000       0.000000  34.95555 15.72421 ?        ?        
0.000000       15.72421 
1 1 1 9   21 0  o 336.9954 4.163376 1155.634       28.53127  1222.465       
63.09790  1138.458       31.98825  346.0948 8.965374 334.4443 4.703437 
11.65051       10.12424 
1 1 1 9   21 1  o 355.8899 5.907990 1290.212       42.75696  0.000000       
0.000000  1290.212       42.75696  ?        ?        355.8899 5.907990 
0.000000       5.907990 
1 1 1 9   21 2  o 125.5505 5.180287 160.5414       13.22586  176.6891       
29.89504  156.6118       14.74762  130.8172 11.35034 123.9758 5.849698 
6.841393       12.76907 
1 1 1 9   21 3  o 368.0400 4.326138 1379.157       32.37777  1327.520       
66.20851  1395.388       37.11903  360.2454 9.037827 370.1225 4.931736 
-9.877106      10.29584 
1 1 1 9   21 4  o 146.2831 6.367650 218.3538       18.94195  241.7232       
26.60403  194.3267       26.97577  153.4575 8.559359 137.3399 9.721673 
16.11761       12.95274 
1 1 1 9   21 5  o 326.2516 4.528123 1084.547       30.04155  1094.502       
35.91642  1061.359       54.81289  327.6007 5.391341 321.9209 8.373019 
5.679810       9.958615 
1 1 1 9   21 6  o 46.67828 13.24175 23.21350       13.15035  31.78389       
16.12153  6.172493       22.73284  54.27554 14.37761 40.93385 16.87971 
13.34169       22.17297 
1 1 1 9   21 7  o 119.5578 6.601132 146.6397       15.98682  136.6685       
19.05777  170.3196       29.36889  115.1277 8.193787 127.8115 11.41994 
-12.68382      14.05536 
1 1 1 9   21 8  f 186.1855 5.379712 354.0297       20.36838  325.5293       
24.24706  422.3569       37.54315  178.3192 6.686665 202.5233 9.115999 
-24.20407      11.30544 
1 1 1 9   21 9  o 84.28828 10.45842 74.66594       17.54090  84.28226       
22.96162  61.18953       27.18223  88.86427 13.09933 74.07645 18.18023 
14.78781       22.40788 
1 1 1 9   21 10 f 198.8491 6.611719 405.4924       26.73557  431.0361       
36.71452  376.6558       39.00936  204.3340 8.835797 190.3126 10.11608 
14.02141       13.43155 
1 1 1 9   21 11 o 89.41143 9.623633 83.79700       17.22221  81.15833       
21.09360  89.07318       29.82751  87.18513 12.23431 89.60977 16.99030 
-2.424644      20.93678 
1 1 1 9   21 12 o 119.3624 7.888915 147.6254       19.04058  156.9976       
23.19529  128.2622       33.34023  122.6465 9.371145 108.3097 15.58626 
14.33680       18.18653 
1 1 1 9   21 13 o 44.89689 15.41000 20.66726       16.98043  3.857044       
20.01261  63.87834       32.08594  36.93396 15.57623 73.55758 20.62022 
-36.62362      25.84207 
1 1 1 9   21 14 o 104.2772 8.277097 114.1112       17.40737  99.19673       
20.30552  155.4600       33.80973  96.24403 10.54780 118.4290 14.33047 
-22.18493      17.79378 
1 1 1 9   21 15 o 116.1999 8.322653 143.0204       19.53589  138.6782       
23.31400  153.2571       35.79631  113.2698 10.23211 114.7413 15.75751 
-1.471443      18.78817 
1 1 1 9   21 16 o 51.56918 16.38499 33.09220       19.31609  23.74961       
23.46344  52.73928       34.02571  46.09349 17.74581 61.03412 21.74800 
-14.94063      28.06937 
1 1 1 9   22 0  o 378.5365 4.883652 1458.759       37.59273  0.000000       
0.000000  1458.759       37.59273  ?        ?        378.5365 4.883652 
0.000000       4.883652 
1 1 1 9   22 1  o 110.6758 7.254983 125.4725       16.23793  0.000000       
0.000000  125.4725       16.23793  ?        ?        110.6758 7.254983 
0.000000       7.254983 
1 1 1 9   22 2  o 136.0433 4.806592 188.4866       13.29737  134.2781       
28.63163  203.3946       15.01492  113.6123 12.60527 141.3001 5.225515 
-27.68781      13.64547 
1 1 1 9   22 3  o 61.60178 11.03911 40.12385       13.32067  8.684538       
24.67008  53.06206       15.82600  43.72802 17.75492 71.00861 11.34160 
-27.28059      21.06820 
1 1 1 9   22 4  o 98.26556 8.324183 99.53210       16.47759  114.6613       
23.65525  85.27207       22.96570  104.9719 11.25731 89.98190 12.92164 
14.99001       17.13755 
1 1 1 9   22 5  o 222.2576 4.659127 503.4964       21.05779  512.0814       
25.62088  485.6239       36.96730  224.0195 5.624149 217.6902 8.350789 
6.329315       10.06810 
1 1 1 9   22 6  o 46.14920 13.36423 22.63907       13.26329  15.85678       
16.55264  34.80433       22.16868  42.09261 15.15062 57.15985 17.46294 
-15.06725      23.11916 
1 1 1 9   22 7  o 102.7444 7.251848 108.6801       15.05430  101.6113       
18.60447  122.0866       25.62148  98.91493 9.360511 107.8663 11.87749 
-8.951363      15.12263 
1 1 1 9   22 8  o 101.4247 10.96954 107.8132       22.26433  107.8132       
22.26433  0.000000       0.000000  101.4247 10.96954 ?        ?        
0.000000       10.96954 
1 1 1 9   22 9  o 116.5395 7.943212 140.3284       18.71214  143.2323       
24.60063  136.3416       28.82435  117.0764 10.44260 113.4714 12.71002 
3.605034       16.44970 
1 1 1 9   22 10 o 134.0652 8.262996 186.0016       22.41731  164.2324       
30.78125  210.5883       32.71256  124.6048 12.30876 141.5776 11.46068 
-16.97278      16.81823 
1 1 1 9   22 11 o 117.5930 7.822804 143.1348       18.59989  156.1865       
22.95578  118.1899       31.73574  122.4262 9.290018 104.1120 15.45928 
18.31419       18.03590 
1 1 1 9   22 12 o 46.44324 15.61985 22.32395       17.44044  21.56820       
21.44304  23.80096       29.97713  47.47800 17.22139 52.24949 20.07286 
-4.771484      26.44799 
1 1 1 9   22 13 o 40.06582 15.09038 13.93802       16.73483  14.24242       
20.12590  13.25600       30.12493  42.19041 16.38125 47.14931 19.43565 
-4.958897      25.41830 
1 1 1 9   22 14 o 104.6889 8.391010 115.3807       17.71335  113.3381       
20.57996  121.2190       34.79366  103.0509 9.944159 102.0015 17.39839 
1.049362       20.03971 
1 1 1 9   22 15 o 51.91645 15.27404 32.07141       17.20332  23.85288       
20.02590  55.21806       33.60772  46.27106 16.66348 64.27505 21.68260 
-18.00398      27.34605 
1 1 1 9   22 16 o 28.12922 13.21154 -13.63329      19.23237  -49.47664      
23.14012  66.43550       34.58542  24.00183 11.95193 67.03574 21.97904 
-43.03391      25.01853 
1 1 1 9   23 0  o 238.3880 4.353043 578.4764       21.10225  0.000000       
0.000000  578.4764       21.10225  ?        ?        238.3880 4.353043 
0.000000       4.353043 
1 1 1 9   23 1  o 131.4350 5.565178 176.0201       14.87447  189.1250       
29.29191  171.4666       17.26629  135.4387 10.72306 129.5040 6.577990 
5.934708       12.57991 
1 1 1 9   23 2  o 325.0978 4.827504 1076.589       31.91451  1072.279       
57.54208  1078.504       38.35427  323.7684 8.739762 325.2542 5.798817 
-1.485809      10.48855 
1 1 1 9   23 3  o 269.5545 8.530960 743.7322       46.76231  743.7322       
46.76231  0.000000       0.000000  269.5545 8.530960 ?        ?        
0.000000       8.530960 
1 1 1 9   23 4  o 46.71276 13.93969 22.94280       14.24781  50.29612       
20.05410  -4.936941      20.24615  68.26842 14.86669 34.14902 15.03177 
34.11940       21.14173 
1 1 1 9   23 5  o 74.99543 11.46176 59.37097       16.92485  19.16406       
25.47948  91.12064       22.64174  49.07116 18.58767 93.05587 12.26382 
-43.98471      22.26887 
1 1 1 9   23 6  o 76.47350 9.188411 60.99113       14.00299  52.29670       
17.74040  75.36116       22.80719  69.85834 12.96538 83.96458 13.83975 
-14.10625      18.96417 
1 1 1 9   23 7  o 99.67657 7.590641 102.4974       15.27025  90.24131       
18.76162  126.5501       26.28305  92.95807 10.08688 109.7430 11.97155 
-16.78494      15.65450 
1 1 1 9   23 8  f 204.2275 6.949808 427.6545       28.86281  427.6545       
28.86281  0.000000       0.000000  204.2275 6.949808 ?        ?        
0.000000       6.949808 
1 1 1 9   23 9  o 107.5051 8.062923 119.6575       17.49838  89.64277       
21.29408  182.0728       30.70701  92.00521 11.64189 131.6173 11.59118 
-39.61210      16.42830 
1 1 1 9   23 10 f 160.6932 6.119837 264.6974       19.99810  259.6591       
24.17229  275.6259       35.60038  158.8380 7.483623 162.2389 10.85327 
-3.400894      13.18325 
1 1 1 9   23 11 o 24.87899 11.87357 -21.12768      16.76444  -16.76291      
21.03687  -28.72320      27.75105  30.35816 14.11261 32.99738 15.61188 
-2.639219      21.04511 
1 1 1 9   23 12 o 99.56770 9.335493 104.0254       18.68129  111.3932       
22.85002  89.17383       32.44170  102.4065 11.15289 88.20446 18.66881 
14.20201       21.74653 
1 1 1 9   23 13 o 85.67776 11.24013 79.00490       19.11105  80.29877       
23.86707  76.69299       31.90349  85.00310 14.31617 80.25037 19.69617 
4.752724       24.34937 
1 1 1 9   23 14 o 100.9561 8.761786 108.0014       17.80936  90.22961       
21.05040  152.7567       33.40537  90.80070 11.67053 116.5100 14.40641 
-25.70934      18.54038 
1 1 1 9   23 15 o 58.28820 13.87306 40.07549       16.20637  36.76867       
18.89929  49.26265       31.50150  54.85467 15.97251 60.69972 20.98021 
-5.845051      26.36836 
1 1 1 9   24 0  o 258.6910 4.326017 681.3057       22.75731  0.000000       
0.000000  681.3057       22.75731  ?        ?        258.6910 4.326017 
0.000000       4.326017 
1 1 1 9   24 1  o 81.95264 6.429691 68.92565       10.62931  65.54108       
26.83342  69.55558       11.57628  77.90656 17.37934 82.26041 6.986423 
-4.353844      18.73103 
1 1 1 9   24 2  o 91.55185 6.162045 85.89410       11.40536  71.63835       
25.99449  89.29277       12.69231  81.62999 16.23108 93.28420 6.736147 
-11.65421      17.57338 
1 1 1 9   24 3  o 220.4752 8.603127 497.9800       38.57158  497.9800       
38.57158  0.000000       0.000000  220.4752 8.603127 ?        ?        
0.000000       8.603127 
1 1 1 9   24 4  o 46.21540 13.04873 22.74833       12.80100  31.49158       
16.95144  11.14601       19.52731  54.10530 14.92285 41.14613 16.09117 
12.95916       21.94578 
1 1 1 9   24 5  o 172.0676 5.045475 302.0573       17.65438  310.4286       
22.15662  287.5003       29.21732  174.2781 6.251859 167.1120 8.627113 
7.166168       10.65424 
1 1 1 9   24 6  o 187.8977 4.924866 360.2735       18.81773  348.2197       
22.86976  385.5421       33.11233  184.5511 6.093874 193.7087 8.405998 
-9.157516      10.38249 
1 1 1 9   24 7  o 146.8092 5.864607 220.3954       17.50828  218.0764       
21.52547  224.9288       30.09644  145.8144 7.259398 147.1577 10.11878 
-1.343216      12.45346 
1 1 1 9   24 8  o 143.6744 7.952420 212.9860       23.14387  212.9860       
23.14387  0.000000       0.000000  143.6744 7.952420 ?        ?        
0.000000       7.952420 
1 1 1 9   24 9  o 33.84188 13.90030 4.724123       15.34078  5.369380       
19.83071  3.762512       24.20868  37.88712 15.70646 40.42977 17.09538 
-2.542645      23.21519 
1 1 1 9   24 10 o 145.7416 6.680420 218.1820       19.79879  222.5608       
24.13426  209.1704       34.62256  146.6263 8.125910 140.5561 12.23522 
6.070221       14.68779 
1 1 1 9   24 11 o 169.8345 7.671824 297.5931       26.49574  269.4053       
36.37852  329.4396       38.66742  159.9018 11.25957 177.1425 10.78560 
-17.24071      15.59189 
1 1 1 9   24 12 o 132.1444 7.442144 180.9851       19.91712  165.2586       
24.07828  215.0624       35.44388  125.4999 9.505291 141.7852 12.41820 
-16.28526      15.63849 
1 1 1 9   24 13 o 122.6041 7.765863 156.8805       19.26181  150.0435       
23.25608  171.8170       34.37392  119.0431 9.690962 125.0414 13.74521 
-5.998299      16.81802 
1 1 1 9   24 14 o 70.17778 11.96184 54.87412       16.45848  50.14025       
19.75234  65.62519       29.76707  65.40813 15.14826 72.10911 19.72837 
-6.700981      24.87325 
1 1 1 9   24 15 o 116.8603 8.198216 145.9871       19.35887  130.1384       
22.53390  190.6418       37.82449  108.7807 10.30978 126.9038 14.94345 
-18.12311      18.15484 
1 1 1 9   25 0  o 112.4829 4.694615 128.8676       10.73836  115.7890       
26.63322  131.4065       11.73444  105.3210 12.69090 113.5687 5.081035 
-8.247696      13.67026 
1 1 1 9   25 1  o 305.4689 3.988404 950.0898       24.77522  923.2507       
53.06439  957.5712       28.01627  300.3358 8.688495 306.6114 4.493353 
-6.275513      9.781624 
1 1 1 9   25 2  o 122.3680 4.932424 152.6199       12.27382  184.7133       
28.67331  145.4201       13.58097  133.6216 10.64054 119.4055 5.593132 
14.21613       12.02099 
1 1 1 9   25 3  o 93.58344 6.932205 90.01488       13.09852  67.34624       
22.75212  101.2527       16.01957  79.24806 14.65818 99.11396 8.016772 
-19.86590      16.70721 
1 1 1 9   25 4  o 83.22808 7.806665 71.59007       13.05816  59.27116       
16.66550  91.18065       21.01628  74.94783 11.28465 93.28717 11.30971 
-18.33934      15.97664 
1 1 1 9   25 5  o 58.71682 11.38633 36.87072       13.10490  43.90913       
17.42754  27.71206       19.87993  63.67006 13.85393 51.66043 16.64454 
12.00962       21.65576 
1 1 1 9   25 6  o 42.24459 13.46404 18.39780       13.03525  16.53436       
16.58037  21.41361       21.09296  42.43648 15.17502 47.86686 17.11605 
-5.430378      22.87445 
1 1 1 9   25 7  o 48.59644 13.81260 25.49219       14.29431  32.68533       
17.88813  12.78440       23.77610  54.75024 15.41343 44.43916 17.63791 
10.31109       23.42370 
1 1 1 9   25 8  o 172.4632 6.554550 305.0234       22.98744  305.0234       
22.98744  0.000000       0.000000  172.4632 6.554550 ?        ?        
0.000000       6.554550 
1 1 1 9   25 9  o 61.57527 15.41382 42.10132       19.25575  57.60369       
27.47806  27.14260       26.99194  71.23479 18.72300 53.06319 19.31019 
18.17160       26.89673 
1 1 1 9   25 10 o 203.1370 6.748616 424.1914       27.87758  408.9417       
37.95407  442.0574       41.08104  198.4350 9.405648 206.1279 9.800614 
-7.692917      13.58375 
1 1 1 9   25 11 o 154.1608 6.651051 244.4964       20.85045  222.7171       
25.33781  290.1793       36.69640  146.3430 8.551444 165.9803 10.93337 
-19.63722      13.88041 
1 1 1 9   25 12 o 100.1968 9.028579 105.5189       18.19845  112.2079       
21.99205  90.98933       32.41252  102.6953 10.68743 88.52889 18.59576 
14.16637       21.44816 
1 1 1 9   25 13 o 83.71141 10.83060 75.74388       18.00465  80.05167       
21.74785  66.35925       32.09945  85.04539 12.98701 73.18936 20.66250 
11.85603       24.40495 
1 1 1 9   25 14 o 33.37261 14.28518 3.088915       17.26726  -11.35967      
20.75048  35.62052       31.13638  30.67034 14.17317 54.75145 20.59110 
-24.08111      24.99745 
1 1 1 9   25 15 o 27.82377 12.76033 -7.028401      16.37639  -11.44833      
18.98383  5.828132       32.37710  28.59622 13.33107 41.87856 18.68831 
-13.28234      22.95583 
1 1 1 9   26 0  o 29.19260 10.57954 7.228634       8.089933  14.12413       
24.41057  6.377832       8.574509  46.13192 18.00484 28.85015 10.81432 
17.28177       21.00294 
1 1 1 9   26 1  o 124.9993 5.459270 159.3398       13.87693  178.0122       
29.24142  153.9122       15.76528  131.0677 11.07481 122.6262 6.343894 
8.441475       12.76308 
1 1 1 9   26 2  o 134.3775 5.375067 184.1926       14.68797  172.8486       
28.06966  188.4699       17.23600  129.1145 10.78970 135.8529 6.239016 
-6.738480      12.46367 
1 1 1 9   26 3  o 168.7387 4.171535 290.1332       14.31403  287.7718       
31.43180  290.7510       16.07800  167.0822 9.287638 168.8705 4.681950 
-1.788330      10.40100 
1 1 1 9   26 4  o 173.0102 5.104558 305.4592       17.95897  322.9378       
23.27456  279.7395       28.23329  177.6993 6.440869 164.8335 8.451374 
12.86575       10.62594 
1 1 1 9   26 5  o 182.5076 5.019394 340.0077       18.62875  337.7811       
23.34429  343.9118       30.91103  181.7011 6.317886 182.9295 8.309563 
-1.228455      10.43861 
1 1 1 9   26 6  f 213.9483 4.764395 467.2351       20.72850  466.3203       
25.25774  469.1223       36.27738  213.5346 5.816675 213.5179 8.355072 
0.1673889E-01  10.18042 
1 1 1 9   26 7  o 146.4026 6.329269 219.6067       18.84316  208.1772       
24.01369  237.9205       30.39731  141.9038 8.358642 151.2346 9.939349 
-9.330826      12.98682 
1 1 1 9   26 8  o 135.0987 7.807023 188.6087       21.35665  188.6087       
21.35665  0.000000       0.000000  135.0987 7.807023 ?        ?        
0.000000       7.807023 
1 1 1 9   26 9  o 156.4283 7.395492 252.0246       23.52523  276.6913       
33.02888  226.6251       33.51585  162.7488 10.02871 146.6859 11.32362 
16.06293       15.12612 
1 1 1 9   26 10 o 57.26341 14.51158 36.43231       16.91950  25.21874       
20.72222  58.85844       29.30498  49.48134 17.02112 71.41528 19.58960 
-21.93393      25.95132 
1 1 1 9   26 11 o 170.4570 6.270749 298.7689       21.73630  295.0754       
26.72903  305.9807       37.34945  168.8905 7.782631 170.3101 10.84070 
-1.419556      13.34504 
1 1 1 9   26 12 o 101.1704 9.104360 107.8892       18.53009  118.8086       
22.46368  84.63764       32.77972  105.5584 10.60855 84.39017 19.49395 
21.16822       22.19358 
1 1 1 9   26 13 o 151.5215 8.255796 241.3848       25.34216  197.3161       
32.96913  305.0221       39.61857  134.3500 12.20055 167.6868 11.69162 
-33.33676      16.89815 
1 1 1 9   26 14 f 110.7070 8.528286 130.9928       19.05159  110.6632       
22.09763  189.8630       37.60352  100.0793 11.04184 127.6535 14.75792 
-27.57420      18.43146 
1 1 1 9   26 15 o 124.3675 10.95471 173.9620       27.42220  135.0852       
39.80125  209.0927       37.83511  98.56488 20.52436 132.1443 14.30828 
-33.57941      25.01951 
1 1 1 9   27 0  o 107.1014 4.600366 116.8817       10.01934  118.1785       
27.73824  116.6871       10.74478  106.1183 13.13452 106.9947 4.938371 
-0.8763885     14.03221 
1 1 1 9   27 1  o 173.0148 3.960957 304.8953       13.93590  283.2938       
33.25001  309.4986       15.34911  165.7235 9.911805 174.2862 4.330807 
-8.562668      10.81664 
1 1 1 9   27 2  o 119.9079 5.703280 146.7815       13.90669  154.5981       
27.39893  144.0689       16.14027  121.8757 11.17978 118.5141 6.724840 
3.361557       13.04649 
1 1 1 9   27 3  o 49.88387 9.948782 26.52654       9.738173  2.452785       
21.93489  32.43625       10.86792  38.54721 16.28459 55.27359 10.03865 
-16.72638      19.13015 
1 1 1 9   27 4  o 150.4718 6.173802 231.5614       18.89119  238.6788       
27.66138  225.3399       25.86169  152.0171 8.988033 147.7809 8.643373 
4.236206       12.46967 
1 1 1 9   27 5  o 63.34195 10.57343 42.61626       13.13931  52.53357       
17.50578  29.82104       19.88421  69.91002 12.78490 52.97379 16.59800 
16.93623       20.95106 
1 1 1 9   27 6  f 192.2618 4.981672 377.5804       19.47689  398.5536       
24.44901  341.1519       32.22179  197.3044 6.093590 181.8933 8.711269 
15.41103       10.63099 
1 1 1 9   27 7  o 189.9780 5.561243 369.3190       21.48457  364.1848       
27.57539  377.2499       34.27257  188.2472 7.203469 191.0876 8.819882 
-2.840424      11.38773 
1 1 1 9   27 8  o 90.75388 11.04717 87.24627       19.96708  87.24627       
19.96708  0.000000       0.000000  90.75388 11.04717 ?        ?        
0.000000       11.04717 
1 1 1 9   27 9  o 42.87129 16.22175 15.52346       19.39280  6.264678       
29.29150  22.74895       25.87608  44.49696 18.80930 50.04052 18.78072 
-5.543564      26.58016 
1 1 1 9   27 10 o 40.04469 14.89669 14.07078       16.20951  25.74409       
20.44509  -5.684919      26.59735  49.63056 16.91083 38.29214 17.02301 
11.33842       23.99498 
1 1 1 9   27 11 o 53.98399 15.43067 32.74556       17.78774  8.821056       
22.27855  74.81640       29.54309  40.73898 16.74426 80.24408 18.48544 
-39.50510      24.94156 
1 1 1 9   27 12 o 79.62357 11.53909 68.95909       18.13930  86.08770       
22.31599  35.60458       31.14100  88.51900 12.76642 56.80333 20.73061 
31.71567       24.34624 
1 1 1 9   27 13 o 56.03017 14.26243 36.50072       16.29224  37.66667       
19.14906  33.44406       31.00503  56.31416 15.98034 54.30695 20.52031 
2.007206       26.00874 
1 1 1 9   27 14 o 34.68050 14.27809 8.037054       16.23307  9.099217       
18.34834  4.210697       34.82520  36.53552 15.12395 42.92414 19.25189 
-6.388626      24.48201 
1 1 1 9   27 15 o 40.02450 16.94269 13.27835       23.82020  39.43795       
34.11131  -11.61851      33.27784  52.62622 21.04877 36.84527 17.32874 
15.78095       27.26418 
1 1 1 9   28 0  o 85.72844 5.259870 75.24323       9.125312  33.60159       
25.05008  81.61465       9.798588  57.17477 18.70343 89.27914 5.422799 
-32.10438      19.47370 
1 1 1 9   28 1  o 57.38252 7.618894 34.30191       8.670632  97.33503       
24.17791  24.99900       9.288460  96.09615 12.68248 48.45139 9.764620 
47.64476       16.00603 
1 1 1 9   28 2  o 230.9677 4.563935 543.9677       21.43592  566.5496       
40.75909  535.3338       25.20285  234.8725 8.533768 228.9938 5.412207 
5.878723       10.10530 
1 1 1 9   28 3  o 165.5276 4.107450 279.3042       13.82592  254.4506       
30.34809  285.8137       15.53133  156.8259 9.561852 167.3952 4.562620 
-10.56932      10.59465 
1 1 1 9   28 4  o 238.3829 4.455594 579.7083       21.59892  589.1057       
26.74280  562.0779       36.62963  240.1045 5.477156 233.9633 7.698982 
6.141174       9.448469 
1 1 1 9   28 5  o 163.0321 5.058786 271.5148       16.77146  255.6049       
20.93840  299.9946       28.01419  157.9408 6.519254 170.7572 8.067662 
-12.81639      10.37246 
1 1 1 9   28 6  o 216.1600 4.807734 477.2993       21.13330  467.2726       
25.78008  497.8414       36.90004  213.6182 5.934643 219.7714 8.256657 
-6.153183      10.16820 
1 1 1 9   28 7  o 90.45669 8.999969 85.49147       16.33535  92.87139       
21.95071  76.33159       24.45500  93.45293 11.81453 83.49005 14.95309 
9.962883       19.05723 
1 1 1 9   28 8  o 129.4716 8.401050 174.0966       21.99921  174.0966       
21.99921  0.000000       0.000000  129.4716 8.401050 ?        ?        
0.000000       8.401050 
1 1 1 9   28 9  o 154.4150 6.211701 244.9335       19.50525  230.8979       
23.81540  273.5320       33.99501  149.2681 7.873698 161.3938 10.41359 
-12.12578      13.05519 
1 1 1 9   28 10 f 58.30009 14.67653 38.07784       17.38783  24.07598       
21.56643  64.08488       29.39212  48.79419 17.32200 74.10090 19.31016 
-25.30671      25.94097 
1 1 1 9   28 11 o 32.07454 14.03905 -1.745437      17.44171  -3.494880      
21.42809  1.689241       30.02456  34.75365 15.37273 42.58551 18.53489 
-7.831860      24.08034 
1 1 1 9   28 12 o 96.91549 9.518833 100.0752       18.51773  93.63941       
22.48674  113.6352       32.64057  92.35354 12.27779 98.92323 16.82852 
-6.569687      20.83130 
1 1 1 9   28 13 o 47.51710 14.87385 26.30691       15.97209  24.66608       
18.97664  30.29323       29.57844  46.63257 16.27430 51.86811 19.93595 
-5.235538      25.73510 
1 1 1 9   28 14 o 55.27047 18.06768 40.28505       23.37760  40.28505       
23.37760  0.000000       0.000000  55.27047 18.06768 ?        ?        
0.000000       18.06768 
1 1 1 9   29 0  o 248.3201 3.725456 628.0952       18.81233  614.4041       
43.57159  631.2322       20.85648  244.6066 8.759591 248.8895 4.120813 
-4.282928      9.680471 
1 1 1 9   29 1  o 210.7547 3.772301 452.5267       16.16721  458.2968       
37.53518  451.2124       17.91411  211.1750 8.740665 210.3998 4.186957 
0.7752686      9.691741 
1 1 1 9   29 2  o 59.59800 7.952598 37.08967       9.397636  40.57777       
22.87457  36.38139       10.30770  60.96206 17.52094 58.82613 8.894338 
2.135929       19.64923 
1 1 1 9   29 3  o 159.7664 4.117661 260.2682       13.37789  262.3824       
30.04879  259.7456       14.94021  159.2281 9.320807 159.5494 4.604792 
-0.3212585     10.39623 
1 1 1 9   29 4  o 76.27966 9.654891 61.06517       14.64110  99.07783       
22.27989  32.17318       19.42395  96.91877 11.53087 54.49574 16.27914 
42.42303       19.94922 
1 1 1 9   29 5  o 50.66912 12.57021 27.95109       12.88975  34.07065       
17.11271  19.92627       19.59640  55.69661 14.84114 45.99997 16.49246 
9.696644       22.18694 
1 1 1 9   29 6  o 186.4429 5.414698 355.7051       20.52917  368.2582       
26.89293  338.1745       31.78062  189.3037 6.985985 180.9016 8.639102 
8.402084       11.11027 
1 1 1 9   29 7  o 177.6371 5.512342 323.2013       19.91230  337.9807       
25.14400  298.3414       32.61043  181.3022 6.819929 169.1997 9.516398 
12.10248       11.70783 
1 1 1 9   29 8  o 34.33009 14.73844 0.6569098      18.47791  -2.296899      
27.49455  3.089927       24.95331  40.12701 17.59346 40.35194 17.22004 
-0.2249260     24.61828 
1 1 1 9   29 9  o 111.2782 8.076857 128.8621       18.15242  137.0384       
22.51598  113.6802       30.68150  114.1697 9.792930 101.5058 15.34267 
12.66393       18.20162 
1 1 1 9   29 10 o 60.40973 14.48337 40.99875       17.56148  44.52197       
22.26999  35.20510       28.55792  62.28284 17.07407 56.90183 19.95840 
5.381016       26.26522 
1 1 1 9   29 11 o 57.04141 15.14808 37.22920       17.86683  34.64696       
22.23870  41.93053       30.00691  55.03530 17.59096 60.03570 20.48697 
-5.000404      27.00292 
1 1 1 9   29 12 o 75.77015 11.31712 63.07350       16.90310  53.33612       
20.24747  85.46558       30.70415  67.69485 15.09318 83.79758 18.51200 
-16.10272      23.88511 
1 1 1 9   29 13 o 28.99446 13.00741 -3.627610      15.90759  10.00735       
18.75032  -38.64825      30.04996  37.44533 15.37247 30.97197 15.05505 
6.473358       21.51667 
1 1 1 9   29 14 f 60.14120 13.76552 44.06502       16.47141  44.06502       
16.47141  0.000000       0.000000  60.14120 13.76552 ?        ?        
0.000000       13.76552 
1 1 1 9   30 0  o 108.1385 4.262848 119.2144       9.374142  109.6448       
27.91621  120.4306       9.952007  101.5736 13.87841 108.6721 4.503409 
-7.098480      14.59078 
1 1 1 9   30 1  o 25.56810 10.05311 3.944168       7.656896  -15.17851      
21.63650  6.681890       8.186673  31.66070 14.57421 28.64904 10.60065 
3.011660       18.02169 
1 1 1 9   30 2  o 93.97568 5.387748 90.52795       10.25316  89.82974       
24.44313  90.67703       11.29490  91.70087 13.51291 93.97147 5.941229 
-2.270592      14.76133 
1 1 1 9   30 3  o 57.48053 8.332209 34.69743       9.455462  41.73957       
21.90865  33.08546       10.48194  61.47786 16.96871 55.82989 9.577404 
5.647976       19.48497 
1 1 1 9   30 4  o 157.4467 5.867269 253.7669       18.78543  291.3100       
27.68331  221.7245       25.57498  168.1790 8.094592 146.3534 8.631531 
21.82559       11.83325 
1 1 1 9   30 5  o 114.9414 6.393978 135.9250       14.88600  133.5241       
19.33561  139.4189       23.32518  113.4264 8.443338 115.4412 10.03588 
-2.014854      13.11522 
1 1 1 9   30 6  o 150.2640 5.962301 231.5219       18.21883  214.8862       
23.76646  255.2289       28.37151  144.0229 8.148278 156.7113 8.939938 
-12.68832      12.09615 
1 1 1 9   30 7  o 141.6272 7.151269 207.1756       20.52932  245.9185       
29.02536  168.3927       29.04033  153.5136 9.342219 126.0844 11.45120 
27.42916       14.77860 
1 1 1 9   30 8  o 41.77147 15.86967 14.69563       18.60752  -12.78389      
28.75127  34.50117       24.40876  37.62064 17.12115 56.04082 18.46877 
-18.42019      25.18391 
1 1 1 9   30 9  o 89.45100 9.729810 84.58126       17.41324  84.11514       
22.19722  85.32710       28.07881  88.03034 12.77274 86.96012 16.48165 
1.070221       20.85156 
1 1 1 9   30 10 o 144.9860 7.688462 218.6760       22.58718  200.7471       
29.72834  243.1597       34.74027  137.4384 10.72161 150.9143 11.40431 
-13.47595      15.65283 
1 1 1 9   30 11 o 192.1104 5.967443 380.9175       23.31260  365.1470       
28.19533  414.9968       41.44758  187.3434 7.400950 197.3487 10.36421 
-10.00534      12.73542 
1 1 1 9   30 12 o 109.7243 10.13380 130.1838       22.35591  88.25388       
30.13683  181.4910       33.33688  84.86556 18.01967 127.3118 13.06172 
-42.44621      22.25572 
1 1 1 9   30 13 o 65.29557 12.50281 49.47000       15.99674  38.78356       
18.68610  78.78788       30.95056  55.77067 15.77200 76.26987 19.78642 
-20.49920      25.30333 
1 1 1 9   30 14 f 53.50860 14.15154 35.94906       15.63487  35.94906       
15.63487  0.000000       0.000000  53.50860 14.15154 ?        ?        
0.000000       14.15154 
1 1 1 9   31 0  o 170.2534 3.916670 295.4575       13.56014  352.2719       
34.22364  284.8770       14.76890  184.8939 9.102323 167.1292 4.345548 
17.76468       10.08643 
1 1 1 9   31 1  o 136.4512 4.422411 189.9540       12.27122  255.7287       
31.18849  177.9067       13.34779  156.9909 9.818756 131.9942 4.972824 
24.99663       11.00622 
1 1 1 9   31 2  o 205.3959 4.238537 430.3799       17.70350  409.2142       
35.12404  437.5882       20.49758  199.2294 8.669612 206.9987 4.869491 
-7.769302      9.943546 
1 1 1 9   31 3  o 54.77501 9.358531 31.86234       10.04979  40.38352       
21.49040  29.47727       11.36959  60.38781 16.85693 52.27475 11.04164 
8.113056       20.15128 
1 1 1 9   31 4  o 158.3974 5.816210 256.9678       18.73438  248.1995       
26.67329  265.5048       26.31910  154.8114 8.505317 160.2656 8.101976 
-5.454254      11.74659 
1 1 1 9   31 5  o 80.54400 8.531156 67.80130       13.76039  52.95655       
17.90686  89.20774       21.50331  69.75173 13.10566 91.48640 11.83587 
-21.73466      17.65916 
1 1 1 9   31 6  o 87.00664 8.808762 79.26657       15.37065  69.80111       
21.00362  90.18085       22.55384  80.09312 13.36689 91.63226 12.42415 
-11.53914      18.24920 
1 1 1 9   31 7  o 211.3160 5.244599 457.5446       22.53700  469.2740       
28.26459  437.0697       37.34341  213.5653 6.508195 205.0308 8.956604 
8.534439       11.07147 
1 1 1 9   31 8  o 51.94603 16.34535 29.77318       19.26056  68.25499       
29.73350  1.951647       25.28185  76.42670 19.16599 39.91021 17.18854 
36.51649       25.74454 
1 1 1 9   31 9  o 176.0836 6.096797 319.1019       21.83093  301.5175       
26.69763  354.5864       37.92527  170.5533 7.697704 183.3764 10.21079 
-12.82314      12.78730 
1 1 1 9   31 10 o 48.72893 16.32409 26.00503       19.04779  9.317067       
25.78779  46.04094       28.25642  42.65546 17.81575 62.24879 19.82148 
-19.59334      26.65131 
1 1 1 9   31 11 o 31.47105 13.82499 -1.350891      17.05000  0.1620391      
21.38616  -3.989791      28.24455  35.54889 15.55309 38.73633 17.35821 
-3.187447      23.30678 
1 1 1 9   31 12 o 42.03855 14.98314 19.26616       16.15101  22.99731       
19.23650  10.35226       29.73300  45.32106 16.33065 43.30490 18.64549 
2.016159       24.78597 
1 1 1 9   31 13 o 40.00857 14.28343 18.22012       14.68358  10.84631       
16.86838  41.28327       29.83230  36.10291 14.67300 54.47132 20.21988 
-18.36842      24.98280 
1 1 1 9   31 14 f 29.66018 13.08604 1.317989       15.42994  1.317989       
15.42994  0.000000       0.000000  29.66018 13.08604 ?        ?        
0.000000       13.08604 
1 1 1 9   32 0  o 143.4632 3.736302 209.7960       10.90019  208.2383       
31.38447  210.0097       11.62377  141.1678 11.02004 143.5116 3.982983 
-2.343857      11.71774 
1 1 1 9   32 1  f 184.1716 3.809967 345.8372       14.26905  315.4355       
34.95465  351.9164       15.63072  174.2394 9.906143 185.7369 4.138370 
-11.49751      10.73582 
1 1 1 9   32 2  o 72.68375 6.354318 54.55914       9.297599  88.03041       
25.31033  49.33792       9.996503  90.23283 14.26818 68.92561 7.240274 
21.30723       16.00008 
1 1 1 9   32 3  o 79.09979 7.600997 64.98840       12.07582  66.07250       
23.69043  64.60784       14.03623  77.36373 15.59713 78.54907 8.946992 
-1.185341      17.98108 
1 1 1 9   32 4  o 101.6762 7.445117 107.0373       15.28664  105.0059       
22.76619  108.7052       20.62867  99.49596 11.46163 101.7127 10.10729 
-2.216743      15.28156 
1 1 1 9   32 5  o 104.1126 6.930603 112.0520       14.58939  115.8450       
19.71393  107.4593       21.69275  105.1849 9.312813 100.7929 10.74944 
4.392082       14.22248 
1 1 1 9   32 6  o 143.2141 6.043672 210.6834       17.60103  192.8912       
22.82042  236.8097       27.65324  136.1924 8.279130 150.6256 9.070389 
-14.43327      12.28071 
1 1 1 9   32 7  o 65.23521 11.89736 46.34500       15.20126  49.95423       
20.45937  41.89709       22.71239  66.54843 15.42016 60.56680 17.47366 
5.981636       23.30472 
1 1 1 9   32 8  o 48.76852 14.85574 26.27023       16.06017  36.04836       
21.24288  13.22490       24.53652  56.38643 17.06521 44.10532 17.77706 
12.28111       24.64235 
1 1 1 9   32 9  o 61.13089 14.20293 42.18566       17.31907  37.75147       
22.12381  49.20385       27.83332  57.27020 17.43400 64.42104 19.54212 
-7.150848      26.18852 
1 1 1 9   32 10 o 37.90981 15.41166 9.132487       18.61609  32.63907       
25.97284  -15.70190      26.69632  53.84626 19.02075 34.54742 16.00389 
19.29884       24.85786 
1 1 1 9   32 11 o 73.35586 11.57042 59.75357       16.68770  35.42615       
19.80178  119.3735       30.99930  54.39967 16.47895 101.2199 15.55837 
-46.82021      22.66316 
1 1 1 9   32 12 o 44.20598 14.94967 22.86994       15.97681  41.85839       
19.01169  -22.77605      29.47659  58.13417 15.70908 33.40102 15.88586 
24.73315       22.34134 
1 1 1 9   32 13 o 40.78728 14.61055 19.70844       15.37614  3.007009       
17.28840  82.92406       33.63491  32.08220 14.01148 73.86598 21.25069 
-41.78379      25.45414 
1 1 1 9   33 0  o 48.10018 6.131104 24.07507       5.860666  4.755810       
24.45169  25.25257       6.036627  41.07915 17.26509 49.27514 6.158931 
-8.195992      18.33073 
1 1 1 9   33 1  o 214.8963 3.722725 470.9171       16.26827  436.7943       
38.35606  478.4020       17.96413  205.4513 9.180655 216.5341 4.079702 
-11.08282      10.04631 
1 1 1 9   33 2  o 99.34962 4.938248 100.9061       9.976783  107.6136       
25.68679  99.71446       10.82679  100.3022 12.89196 98.56008 5.422769 
1.742134       13.98604 
1 1 1 9   33 3  o 78.93646 7.796502 64.87373       12.35140  87.90318       
25.47678  57.79771       14.12203  89.80231 14.44038 74.00287 9.611112 
15.79945       17.34641 
1 1 1 9   33 4  o 179.7631 5.196694 330.8700       18.99674  335.6323       
25.95532  325.3759       27.87856  180.5179 7.070574 177.5189 7.722793 
2.998993       10.47065 
1 1 1 9   33 5  o 181.9391 7.975016 342.6078       29.50591  0.000000       
0.000000  342.6078       29.50591  ?        ?        181.9391 7.975016 
0.000000       7.975016 
1 1 1 9   33 6  o 156.9205 5.761628 252.8965       18.38554  223.9291       
23.55777  298.0324       29.40630  146.8083 7.920309 169.1218 8.578543 
-22.31346      11.67573 
1 1 1 9   33 7  o 82.99863 11.84455 74.46545       19.42422  68.70431       
32.22920  77.75182       24.34188  75.83670 20.43690 83.50083 14.88108 
-7.664131      25.28069 
1 1 1 9   33 8  o 51.35814 14.88020 29.66199       16.43926  58.42700       
21.76009  -8.584713      25.09143  71.74893 15.37638 35.82001 16.17886 
35.92892       22.32014 
1 1 1 9   33 9  o 77.86476 11.50249 66.04373       17.66481  70.63911       
22.53322  58.71636       28.45355  79.11010 14.54273 69.67055 19.37827 
9.439552       24.22826 
1 1 1 9   33 10 o 118.6516 9.039543 149.5665       21.64670  152.3838       
28.94824  145.9930       32.60267  117.6980 12.27551 113.5907 14.44069 
4.107307       18.95315 
1 1 1 9   33 11 o 51.64381 14.38359 31.61377       15.66517  20.15478       
18.60019  59.57462       29.05490  43.37706 15.99251 67.34216 19.86053 
-23.96509      25.49903 
1 1 1 9   33 12 o 52.25143 14.13501 33.45382       15.38257  29.50953       
17.83204  44.92540       30.41088  48.55364 15.77538 56.41172 20.50159 
-7.858082      25.86847 
1 1 1 9   33 13 o 31.95994 13.28889 7.416194       14.25655  1.022279       
15.92526  33.21899       31.99165  29.90872 13.24000 48.55522 20.02359 
-18.64650      24.00504 
1 1 1 9   34 0  o 250.1104 3.923894 638.1978       19.95724  0.000000       
0.000000  638.1978       19.95724  ?        ?        250.1104 3.923894 
0.000000       3.923894 
1 1 1 9   34 1  o 154.9631 4.091666 245.1101       12.89377  0.000000       
0.000000  245.1101       12.89377  ?        ?        154.9631 4.091666 
0.000000       4.091666 
1 1 1 9   34 2  o 210.5576 4.226403 452.7631       18.09644  0.000000       
0.000000  452.7631       18.09644  ?        ?        210.5576 4.226403 
0.000000       4.226403 
1 1 1 9   34 3  o 80.69922 8.687028 68.26387       14.03121  0.000000       
0.000000  68.26387       14.03121  ?        ?        80.69922 8.687028 
0.000000       8.687028 
1 1 1 9   34 4  o 80.94414 10.03947 69.47889       16.17052  101.2662       
30.93640  57.52916       18.96801  95.04597 16.61075 72.40034 13.37610 
22.64563       21.32691 
1 1 1 9   34 5  o 32.94252 13.36449 5.756359       13.96522  -3.007566      
21.25864  12.40948       18.52247  34.94938 15.39290 40.24018 15.68974 
-5.290806      21.97975 
1 1 1 9   34 6  o 116.8595 7.222633 141.7339       17.07957  175.5383       
24.05132  107.3451       24.25832  129.3102 9.206630 99.70750 12.21992 
29.60265       15.29995 
1 1 1 9   34 7  o 92.07058 11.42601 91.26433       20.93293  57.64577       
38.10448  105.7956       25.05173  68.94635 23.08849 98.55869 12.80177 
-29.61234      26.40007 
1 1 1 9   34 8  o 73.09991 11.95036 58.52596       17.15038  58.54433       
22.73525  58.50170       26.12513  71.24171 16.07530 70.25008 18.15623 
0.9916306      24.25003 
1 1 1 9   34 9  o 60.12989 14.22446 41.48092       17.12106  58.32190       
21.46352  12.01778       28.38944  71.00011 15.31579 44.66527 18.67723 
26.33485       24.15393 
1 1 1 9   34 10 o 115.9841 13.99938 152.9873       32.35085  0.000000       
0.000000  152.9873       32.35085  ?        ?        115.9841 13.99938 
0.000000       13.99938 
1 1 1 9   34 11 o 77.74965 10.63476 67.30253       16.37342  68.31583       
19.03398  64.41882       32.10968  77.07515 12.57795 67.80285 21.06727 
9.272301       24.53639 
1 1 1 9   34 12 o 44.55329 14.31167 24.61003       14.70615  33.59129       
16.79253  -4.946321      30.46301  51.23051 15.09579 36.93112 17.10373 
14.29939       22.81273 
1 1 1 9   34 13 o 24.51732 11.41745 -7.496208      13.86628  -5.383650      
15.44562  -16.27041      31.47784  26.66845 12.29013 33.60988 16.10243 
-6.941425      20.25674 
1 1 1 9   35 0  o 181.1660 6.806479 337.4769       25.07556  328.8988       
35.45403  346.0628       35.47037  177.5111 9.860584 182.2159 9.606504 
-4.704788      13.76648 
1 1 1 9   35 1  o 69.21735 5.313266 49.34806       7.421664  53.87657       
23.77619  48.85918       7.812000  68.98515 17.04710 68.81715 5.631641 
0.1679916      17.95325 
1 1 1 9   35 2  o 189.9268 3.870667 368.2666       14.94939  315.0247       
35.15578  380.0190       16.51713  173.4032 10.01244 192.8616 4.211507 
-19.45840      10.86212 
1 1 1 9   35 3  o 77.70380 8.026236 63.16843       12.49980  104.5431       
27.86614  52.74632       13.98580  97.60120 14.47912 70.34794 10.06327 
27.25327       17.63276 
1 1 1 9   35 4  o 47.84204 14.72255 25.10682       15.72434  -70.03196      
26.97853  74.05442       19.35108  25.13079 12.57418 82.83017 11.82415 
-57.69938      17.26038 
1 1 1 9   35 5  o 32.48893 13.33768 4.911038       14.11499  -22.05372      
21.25602  26.18016       18.87811  28.79293 13.63457 49.12036 16.24479 
-20.32743      21.20837 
1 1 1 9   35 6  f 175.2626 6.713680 317.2834       23.92772  300.7012       
36.36047  329.9496       31.77833  168.3235 10.67795 177.7354 8.792367 
-9.411819      13.83200 
1 1 1 9   35 7  o 25.79775 11.99645 -11.90493      15.22053  -5.775725      
20.36849  -19.65512      22.90408  32.89027 14.73944 30.71989 14.42488 
2.170385       20.62349 
1 1 1 9   35 8  o 99.56544 9.086709 105.1104       18.19512  97.56197       
23.71515  115.9125       28.36938  94.09061 12.72058 101.8422 14.07459 
-7.751572      18.97122 
1 1 1 9   35 9  f 45.17487 17.13979 20.36040       21.68698  20.36040       
21.68698  0.000000       0.000000  45.17487 17.13979 ?        ?        
0.000000       17.13979 
1 1 1 9   35 10 o 75.98194 17.19527 71.55463       25.94894  -39.89071      
45.00098  127.0693       31.76106  39.09951 18.86538 103.4898 15.57460 
-64.39032      24.46366 
1 1 1 9   35 11 f 28.17031 13.18874 -12.10361      18.90752  -29.13061      
24.73651  11.82346       29.32339  28.52614 13.81769 42.11890 18.32446 
-13.59276      22.95026 
1 1 1 9   35 12 o 29.71356 13.76191 -6.845162      19.72616  -17.04819      
25.88235  7.295070       30.46964  31.00633 14.78551 39.41344 17.81284 
-8.407116      23.14970 
1 1 1 9   36 0  o 26.92118 12.52837 -13.73091      16.65068  -23.51302      
22.89353  -2.745126      24.26118  30.07309 14.21343 37.58735 16.50212 
-7.514257      21.77939 
1 1 1 9   36 1  o 55.05659 6.119311 31.51872       6.735237  -1.005774      
24.09593  34.27523       7.014845  38.03114 16.57745 57.44515 6.098260 
-19.41401      17.66354 
1 1 1 9   36 2  o 117.7337 4.535438 141.8102       10.85854  91.84188       
26.31934  152.0602       11.92032  91.19430 14.69149 121.8675 4.810041 
-30.67318      15.45887 
1 1 1 9   36 3  o 241.6543 3.975238 596.7737       19.53481  554.4944       
44.13485  607.0746       21.78495  230.2648 9.425461 243.5933 4.397843 
-13.32849      10.40098 
1 1 1 9   36 4  o 76.38511 10.30196 62.44515       15.59404  50.37148       
26.08079  69.16317       19.45458  65.50305 18.67129 79.60954 12.42291 
-14.10649      22.42645 
1 1 1 9   36 5  o 57.56054 13.03418 37.00883       14.90214  49.97417       
20.97905  23.80406       21.17188  65.99289 15.83507 48.01331 17.15020 
17.97958       23.34264 
1 1 1 9   36 6  o 43.59211 15.91525 18.64117       18.35673  -0.5943243     
33.30822  27.03215       21.99917  43.46790 19.19979 50.10193 17.52038 
-6.634033      25.99223 
1 1 1 9   36 7  o 49.66064 14.36614 27.99018       15.33368  54.62441       
21.40792  -0.6951084E-01 21.97333  68.69868 15.67085 36.15572 15.79325 
32.54295       22.24865 
1 1 1 9   36 8  o 38.34645 15.33103 10.98211       18.08806  -33.04210      
25.19675  57.79332       25.98207  29.14700 14.07648 68.78239 18.26767 
-39.63539      23.06198 
1 1 1 9   36 9  o 42.01868 16.37766 16.57210       20.17708  16.57210       
20.17708  0.000000       0.000000  42.01868 16.37766 ?        ?        
0.000000       16.37766 
1 1 1 9   36 10 o 67.62287 13.23333 53.68233       17.54602  40.16740       
21.55481  80.22670       30.20809  55.98449 17.23879 77.63924 19.23278 
-21.65475      25.82781 
1 1 1 9   36 11 f 42.85522 14.16259 22.57372       14.34975  25.76562       
16.56667  12.98413       28.71508  45.18246 15.22341 41.36480 18.06182 
3.817657       23.62163 
1 1 1 9   36 12 f 34.14254 13.54777 11.98829       14.02429  12.13189       
15.85930  11.47326       30.03517  34.95478 14.21922 39.54095 17.79482 
-4.586166      22.77810 
1 1 1 9   37 0  o 31.11302 13.82272 -4.487926      17.51008  -12.65335      
24.23109  4.435992       25.33153  34.11090 15.59875 40.92388 17.40423 
-6.812981      23.37153 
1 1 1 9   37 1  o 185.2646 3.594568 350.4057       13.54224  327.2941       
34.10814  354.7308       14.75507  176.6690 9.529178 186.3389 3.893915 
-9.669846      10.29407 
1 1 1 9   37 2  o 72.43266 6.087489 54.36884       8.883371  52.29990       
25.95209  54.64342       9.454507  66.84177 18.47615 72.52753 6.478587 
-5.685760      19.57908 
1 1 1 9   37 3  o 46.57147 10.24906 23.69441       9.443084  -13.38142      
25.29416  29.69874       10.17905  34.50278 15.83635 52.35784 9.923560 
-17.85505      18.68869 
1 1 1 9   37 4  o 168.1121 6.372815 291.6860       21.78621  332.3423       
36.47268  269.1327       27.16500  177.1693 10.16598 160.4284 8.355677 
16.74088       13.15919 
1 1 1 9   37 5  o 45.42757 14.69421 22.57870       15.48244  -3.756274      
25.10209  38.74802       19.66932  37.21158 16.54035 57.88719 16.11557 
-20.67561      23.09317 
1 1 1 9   37 6  o 183.1920 6.756631 347.7299       25.17028  318.2220       
40.03501  367.0174       32.36742  171.8852 11.52047 187.1837 8.503324 
-15.29843      14.31879 
1 1 1 9   37 7  o 25.40960 11.83869 -11.65423      14.93704  -12.10385      
20.09665  -11.09926      22.32733  30.20299 13.95400 32.37425 14.86648 
-2.171263      20.38937 
1 1 1 9   37 8  o 43.01395 14.82352 20.32013       15.72026  18.62428       
20.08397  23.00249       25.25887  43.33339 16.48148 47.47788 18.37471 
-4.144493      24.68338 
1 1 1 9   37 9  f 152.9788 7.536849 247.0653       23.44620  247.0653       
23.44620  0.000000       0.000000  152.9788 7.536849 ?        ?        
0.000000       7.536849 
1 1 1 9   37 10 o 21.82043 10.57873 -20.30573      14.57808  -19.05102      
16.72406  -24.27531      29.74694  24.23989 11.64598 32.60709 15.63030 
-8.367191      19.49193 
1 1 1 9   37 11 o 28.12424 12.31744 1.543227       13.44420  7.082283       
15.19724  -18.39639      28.83403  32.19635 13.57563 32.22256 15.43080 
-0.2621460E-01 20.55255 
1 1 1 9   37 12 o 28.42191 12.51321 2.464079       14.03598  18.81342       
15.98850  -52.47919      29.30993  38.46893 14.68767 26.27484 13.14054 
12.19409       19.70790 
1 1 1 9   38 0  o 208.1577 6.611195 446.9792       27.98491  477.0496       
39.73392  417.3804       39.42121  213.6488 9.145544 199.4924 9.717445 
14.15637       13.34428 
1 1 1 9   38 1  o 90.72527 3.937342 84.14374       7.264118  67.10383       
26.44307  85.53461       7.554768  76.00445 17.47422 91.45617 4.062157 
-15.45172      17.94016 
1 1 1 9   38 2  o 21.04356 9.227379 -1.474242      7.564843  -15.53077      
24.72841  -0.2293718E-01 7.945778  33.38329 15.44278 22.56800 9.676131 
10.81530       18.22380 
1 1 1 9   38 3  o 153.3174 4.639482 240.9820       14.46480  251.7904       
32.12214  238.2329       16.20027  153.9398 10.32104 152.2707 5.231841 
1.669128       11.57134 
1 1 1 9   38 4  o 34.75932 13.96363 7.744313       15.08421  33.59868       
25.73478  -5.787109      18.61767  54.61380 18.95798 31.28896 14.05185 
23.32483       23.59787 
1 1 1 9   38 5  o 141.5041 6.879932 207.6843       19.79724  211.8002       
30.43355  204.6649       26.06614  140.5849 10.72636 139.0867 9.269030 
1.498245       14.17638 
1 1 1 9   38 6  o 152.8318 7.303135 243.3860       22.69731  225.8808       
37.40771  253.5855       28.55406  143.0799 12.99857 154.7241 9.115518 
-11.64420      15.87626 
1 1 1 9   38 7  o 66.08376 12.02865 48.96710       15.56902  48.36334       
20.58620  49.77388       23.79698  63.65186 15.93951 63.64748 17.72848 
0.4379272E-02  23.84045 
1 1 1 9   38 8  o 36.34857 14.30501 11.22149       15.51679  7.872767       
20.33531  15.88867       24.00701  37.41255 15.73557 42.96605 17.48819 
-5.553497      23.52541 
1 1 1 9   38 9  o 132.9501 9.125463 192.2028       24.52212  192.2028       
24.52212  0.000000       0.000000  132.9501 9.125463 ?        ?        
0.000000       9.125463 
1 1 1 9   38 10 o 67.18996 11.45489 52.86084       15.08986  59.99062       
17.23108  29.40234       31.25537  70.89068 12.40471 47.49433 19.70621 
23.39635       23.28543 
1 1 1 9   38 11 o 34.74833 14.00057 12.54695       15.21298  12.54695       
15.21298  0.000000       0.000000  34.74833 14.00057 ?        ?        
0.000000       14.00057 
1 1 1 9   39 0  o 41.45642 15.82313 14.96576       18.55231  12.28559       
26.01050  17.74135       26.46939  44.14830 18.11277 46.84361 18.60445 
-2.695313      25.96533 
1 1 1 9   39 1  o 63.04226 15.10572 45.49584       19.11169  36.71804       
26.11692  55.61508       28.04161  56.64829 19.11403 68.02092 19.35054 
-11.37263      27.19908 
1 1 1 9   39 2  o 123.1431 4.237211 155.2952       10.61064  128.1540       
28.03122  159.8346       11.46366  108.0386 13.02123 124.8695 4.514559 
-16.83098      13.78164 
1 1 1 9   39 3  o 153.5815 4.662429 242.0059       14.56138  221.0555       
32.04660  247.4568       16.34627  143.4589 11.07070 155.1374 5.181443 
-11.67856      12.22325 
1 1 1 9   39 4  o 71.55969 10.96897 55.84336       15.45297  79.47189       
26.04511  43.00680       19.19695  82.84529 16.03952 60.80732 15.48350 
22.03797       22.29361 
1 1 1 9   39 5  o 98.53522 11.20076 105.6250       22.04468  -16.03401      
63.82272  122.1057       23.49043  52.11611 24.34508 106.1062 11.04881 
-53.99013      26.73498 
1 1 1 9   39 6  o 59.69937 13.23474 40.84100       15.64537  19.38068       
21.81043  63.58941       22.45545  44.56282 17.12125 73.52879 15.50619 
-28.96597      23.09933 
1 1 1 9   39 7  o 97.30019 8.389109 101.0528       16.43673  97.65089       
21.62230  105.7097       25.29823  93.67928 11.59819 96.28852 13.27284 
-2.609238      17.62630 
1 1 1 9   39 8  o 32.38485 13.62599 5.252103       15.25749  22.11080       
19.29904  -22.84830      24.91609  44.10000 16.28427 30.25674 14.44986 
13.84326       21.77098 
1 1 1 9   39 9  f 44.88659 16.09292 25.13762       18.65833  25.13762       
18.65833  0.000000       0.000000  44.88659 16.09292 ?        ?        
0.000000       16.09292 
1 1 1 9   39 10 o 72.00275 10.20748 59.90482       14.52731  72.08970       
16.51942  18.32701       30.51512  78.72468 10.58729 42.02456 18.47735 
36.70012       21.29561 
1 1 1 9   39 11 o 31.05552 12.79770 8.834751       13.05659  6.252655       
14.67220  18.66043       28.62137  30.47354 13.10942 39.87973 17.69710 
-9.406193      22.02372 
1 1 1 9   40 0  o 98.89616 10.00264 104.4060       19.83958  126.1525       
27.48519  80.74929       28.66692  107.2268 12.86168 82.88473 17.55437 
24.34205       21.76187 
1 1 1 9   40 1  o 54.89566 15.99171 34.91099       18.94092  40.69845       
26.09093  28.46241       27.54086  58.64323 19.08340 52.02784 19.40505 
6.615395       27.21639 
1 1 1 9   40 2  f 87.86001 5.163785 79.66659       9.185387  84.38271       
27.35537  79.06728       9.751557  85.21548 16.38108 87.43832 5.512515 
-2.222832      17.28374 
1 1 1 9   40 3  o 43.41846 10.57328 20.89388       9.248489  58.30423       
26.29625  15.61319       9.879688  69.31076 18.36340 37.86492 11.67287 
31.44584       21.75937 
1 1 1 9   40 4  o 119.4646 12.08733 156.5758       28.96032  156.5758       
28.96032  0.000000       0.000000  119.4646 12.08733 ?        ?        
0.000000       12.08733 
1 1 1 9   40 5  o 81.38847 13.02944 74.71337       20.83707  48.76173       
58.82551  78.43671       22.28176  63.50277 26.73901 83.03211 13.67228 
-19.52934      30.03175 
1 1 1 9   40 6  o 78.37492 10.43811 67.47908       16.22241  69.05408       
21.54082  65.41533       24.65767  76.94891 14.29216 72.99696 16.93817 
3.951958       22.16230 
1 1 1 9   40 7  o 80.29362 13.22651 74.92116       20.84410  74.92116       
20.84410  0.000000       0.000000  80.29362 13.22651 ?        ?        
0.000000       13.22651 
1 1 1 9   40 8  o 63.63786 12.24797 47.57671       15.27478  67.89058       
18.56888  5.063013       26.86296  76.15501 12.41850 38.52041 17.11693 
37.63461       21.14730 
1 1 1 9   40 9  o 31.16804 13.78252 2.161139       17.21144  2.161139       
17.21144  0.000000       0.000000  31.16804 13.78252 ?        ?        
0.000000       13.78252 
1 1 1 9   40 10 o 36.32457 13.48831 16.16241       13.27753  4.449116       
15.09263  56.26289       27.92546  30.05879 13.11062 57.18603 19.75421 
-27.12724      23.70901 
1 1 1 9   41 0  o 92.08817 10.99759 91.92789       20.18717  99.78275       
27.94257  83.35217       29.19663  93.51105 15.21774 83.72812 17.70141 
9.782936       23.34351 
1 1 1 9   41 1  o 105.3211 10.24803 119.1661       21.67062  132.1100       
30.38174  105.7603       30.91909  108.4796 14.10629 95.26023 16.56240 
13.21937       21.75547 
1 1 1 9   41 2  o 66.24202 6.026415 45.73991       8.029121  10.47756       
27.25506  49.09095       8.401975  43.27204 18.20950 68.62762 6.083536 
-25.35558      19.19883 
1 1 1 9   41 3  o 96.11267 5.563313 95.68943       10.82691  81.41200       
29.59416  97.89565       11.63339  81.70853 18.26939 97.10023 5.919892 
-15.39170      19.20457 
1 1 1 9   41 4  o 106.9393 13.66551 129.4662       29.03810  129.4662       
29.03810  0.000000       0.000000  106.9393 13.66551 ?        ?        
0.000000       13.66551 
1 1 1 9   41 5  o 46.45133 18.37949 21.51890       25.74348  21.51890       
25.74348  0.000000       0.000000  46.45133 18.37949 ?        ?        
0.000000       18.37949 
1 1 1 9   41 6  o 113.1990 7.565509 136.0693       17.31506  140.8501       
22.57758  129.2419       26.98100  113.5157 9.879203 106.3377 12.73034 
7.178055       16.11398 
1 1 1 9   41 7  o 58.91715 12.58593 41.06615       14.62125  48.74205       
18.37134  27.80318       24.14886  62.83913 14.64726 47.48365 18.06956 
15.35548       23.26051 
1 1 1 9   41 8  o 35.69481 13.89602 13.18266       14.51217  -2.606328      
17.55758  47.22956       25.78258  29.70274 13.46399 56.50909 18.99166 
-26.80635      23.28009 
1 1 1 9   41 9  o 40.14289 15.14874 20.82172       16.88350  20.82172       
16.88350  0.000000       0.000000  40.14289 15.14874 ?        ?        
0.000000       15.14874 
1 1 1 9   41 10 o 48.61448 14.88682 34.12032       16.09977  30.77592       
19.50330  41.27418       28.52459  44.61939 16.38736 47.43691 19.15069 
-2.817516      25.20505 
1 1 1 9   42 0  f 93.60085 10.59160 94.91943       19.80533  93.15096       
27.29108  96.88705       28.78666  89.73676 15.51688 91.13023 16.12375 
-1.393463      22.37742 
1 1 1 9   42 1  o 70.60710 18.27215 61.23954       26.43729  61.23954       
26.43729  0.000000       0.000000  70.60710 18.27215 ?        ?        
0.000000       18.27215 
1 1 1 9   42 2  o 55.20202 17.07344 36.60735       21.11667  28.76444       
27.54144  47.79439       32.89317  51.17179 19.33912 61.31482 21.42465 
-10.14302      28.86203 
1 1 1 9   42 3  o 52.65186 9.197000 30.26731       9.488791  34.09502       
27.60455  29.75443       10.10451  53.56044 19.52246 51.91953 9.932368 
1.640903       21.90384 
1 1 1 9   42 4  o 91.77424 27.64467 134.0367       55.84224  134.0367       
55.84224  0.000000       0.000000  91.77424 27.64467 ?        ?        
0.000000       27.64467 
1 1 1 9   42 5  o 35.68078 13.44430 12.39622       13.28566  9.211254       
18.21985  16.01254       19.41450  36.49255 15.08565 40.71892 16.00872 
-4.226372      21.99673 
1 1 1 9   42 6  o 44.56560 14.26131 24.02683       14.61342  -1.163166      
18.53319  65.42990       23.76032  31.60809 14.11969 71.39555 16.66839 
-39.78746      21.84492 
1 1 1 9   42 7  f 84.57613 10.28251 81.17426       17.32089  58.05080       
22.49611  114.8406       27.14433  65.73446 16.77384 96.50517 14.26136 
-30.77071      22.01700 
1 1 1 9   42 8  o 90.19521 10.07803 93.82004       18.16862  70.95155       
23.56691  127.3258       28.52617  71.45310 16.54521 99.35210 14.55061 
-27.89899      22.03326 
1 1 1 9   42 9  o 30.92599 12.75026 8.961238       12.96746  2.048029       
14.92792  30.21805       26.17632  28.48858 12.70306 43.59309 18.05641 
-15.10451      22.07717 
1 1 1 9   43 0  o 82.55339 12.67533 76.50948       20.59861  108.3873       
27.83460  37.91512       30.62686  97.18436 14.53040 56.15627 20.54898 
41.02810       25.16730 
1 1 1 9   43 1  o 83.53493 17.37138 84.86014       28.54705  84.86014       
28.54705  0.000000       0.000000  83.53493 17.37138 ?        ?        
0.000000       17.37138 
1 1 1 9   43 2  o 112.8524 9.528683 137.3089       21.66282  131.6909       
29.33233  144.0497       32.13021  107.3306 13.75567 111.6532 14.49296 
-4.322624      19.98160 
1 1 1 9   43 3  o 21.83298 9.621767 -1.455560      8.318537  -23.08964      
27.73852  0.6823686      8.719884  32.49479 15.44186 23.71964 10.15230 
8.775150       18.48027 
1 1 1 9   43 4  o 46.39632 15.19729 25.82843       16.53662  58.93962       
52.65469  22.20523       17.41790  61.86734 25.61607 43.86565 15.56764 
18.00169       29.97556 
1 1 1 9   43 5  f 103.1398 8.576780 115.4392       17.82564  93.60064       
26.64577  133.1305       23.98256  86.82160 15.66860 108.6734 11.00396 
-21.85182      19.14660 
1 1 1 9   43 6  o 87.02239 8.317761 82.82401       14.54008  49.39581       
17.38791  160.5491       26.51377  63.09306 13.92524 118.2841 11.15456 
-55.19106      17.84199 
1 1 1 9   43 7  o 31.05941 12.80627 7.742448       13.08290  0.4026987      
15.71499  24.31644       23.61496  29.11618 13.00455 43.12115 17.41905 
-14.00497      21.73802 
1 1 1 9   43 8  o 27.48440 12.08089 2.446789       13.03651  -5.146266      
15.04635  25.30987       26.10901  25.84448 11.98729 41.91511 17.74023 
-16.07062      21.41053 
1 1 1 9   43 9  o 64.53725 10.82283 51.66067       13.70087  59.42372       
15.77514  27.82673       27.64106  68.16879 11.80754 40.88775 17.78994 
27.28104       21.35182 
1 1 1 9   44 0  o 77.40840 17.55012 74.18573       26.98920  74.18573       
26.98920  0.000000       0.000000  77.40840 17.55012 ?        ?        
0.000000       17.55012 
1 1 1 9   44 1  o 106.5044 11.00581 125.2340       23.49265  155.3396       
32.11549  90.58257       34.45498  116.1566 13.87059 82.50409 20.59945 
33.65254       24.83406 
1 1 1 9   44 2  o 32.01295 14.31539 -2.440146      19.10344  -9.909462      
26.36209  5.819597       27.72188  34.67436 16.00648 40.31904 17.67213 
-5.644676      23.84348 
1 1 1 9   44 3  o 43.97300 10.05888 21.89994       8.799565  0.000000       
0.000000  21.89994       8.799565  ?        ?        43.97300 10.05888 
0.000000       10.05888 
1 1 1 9   44 4  o 58.65541 12.76265 40.97301       14.79027  18.40782       
25.84124  51.96630       18.03673  43.22353 17.92494 65.34616 13.99513 
-22.12263      22.74131 
1 1 1 9   44 5  o 27.21616 11.69082 2.279899       11.63783  -16.28733      
14.36084  37.80132       19.86330  22.49500 10.80344 52.94675 16.58922 
-30.45174      19.79689 
1 1 1 9   44 6  o 28.15236 12.01252 3.844742       12.14050  -3.972239      
14.42932  22.79046       22.46374  26.34912 12.04465 42.36408 17.03268 
-16.01496      20.86111 
1 1 1 9   44 7  o 33.46006 13.08214 12.56183       12.90457  -0.5623232     
15.30611  44.82109       23.99697  27.83952 12.59959 52.24276 18.29697 
-24.40324      22.21551 
1 1 1 9   44 8  o 41.69616 13.37606 24.23069       12.84947  27.23488       
14.99887  15.94403       24.91063  43.13229 14.48540 36.80021 16.40942 
6.332085       21.88826 
1 1 1 9   45 0  o 64.11936 20.56153 56.38725       30.36484  56.38725       
30.36484  0.000000       0.000000  64.11936 20.56153 ?        ?        
0.000000       20.56153 
1 1 1 9   45 1  o 44.22260 16.15913 22.42587       18.92937  18.47340       
26.38897  26.61527       27.16839  44.27484 18.21359 48.14963 18.93523 
-3.874790      26.27314 
1 1 1 9   45 2  o 44.27775 16.33092 22.99808       19.39856  9.305834       
27.64353  36.28234       27.22858  40.70301 17.74861 52.33494 19.33904 
-11.63193      26.24903 
1 1 1 9   45 3  o 88.17634 5.496248 81.49225       9.806260  0.000000       
0.000000  81.49225       9.806260  ?        ?        88.17634 5.496248 
0.000000       5.496248 
1 1 1 9   45 4  o 52.24808 9.619125 31.08239       9.843569  0.7619406      
21.78223  38.86353       11.03459  33.69984 15.16123 58.57003 9.597156 
-24.87019      17.94348 
1 1 1 9   45 5  o 40.45548 12.41320 20.30652       11.18755  15.45671       
13.60203  30.44799       19.66944  36.43975 13.62818 46.67773 16.54564 
-10.23798      21.43561 
1 1 1 9   45 6  o 57.83360 13.49039 43.96502       15.57471  25.74821       
21.85231  62.77262       22.20384  42.28418 16.86926 65.51496 16.63562 
-23.23078      23.69210 
1 1 1 9   45 7  o 54.85418 11.78396 38.64889       12.75280  37.85770       
15.02609  40.68650       24.11383  51.90017 13.94106 47.64952 18.07464 
4.250648       22.82643 
1 1 1 9   45 8  o 19.87028 9.638082 -13.50038      12.14142  -15.87916      
14.15889  -6.891531      23.60016  21.06567 10.26099 28.95200 13.88982 
-7.886335      17.26891 
1 1 1 9   46 0  o 34.41880 14.87407 4.627735       19.06232  -4.704112      
26.33605  14.89657       27.62660  35.53084 16.25325 42.72435 18.17288 
-7.193508      24.38077 
1 1 1 9   46 1  o 59.77793 15.93287 45.97585       19.71962  67.07599       
27.80096  24.61016       27.97536  69.37520 19.10105 46.27217 18.86112 
23.10302       26.84384 
1 1 1 9   46 2  o 32.98904 15.50700 -12.19380      26.58989  0.000000       
0.000000  -12.19380      26.58989  ?        ?        32.98904 15.50700 
0.000000       15.50700 
1 1 1 9   46 3  o 97.83936 4.873741 99.82376       9.696779  0.000000       
0.000000  99.82376       9.696779  ?        ?        97.83936 4.873741 
0.000000       4.873741 
1 1 1 9   46 4  o 25.71251 10.45689 4.741390       8.574265  -24.97467      
19.73100  11.65939       9.520151  24.69296 12.04648 32.17933 11.49972 
-7.486368      16.65417 
1 1 1 9   46 5  o 31.25023 11.91803 10.73267       10.51972  7.422740       
12.67586  18.05661       18.85558  29.99452 12.50603 38.01439 15.48867 
-8.019873      19.90727 
1 1 1 9   46 6  o 31.00981 13.24450 8.633217       14.78407  -0.5914040     
20.10841  19.48595       21.81087  29.89180 13.86215 37.76319 16.10689 
-7.871391      21.25067 
1 1 1 9   46 7  o 27.92974 11.96328 6.511511       12.12467  13.47349       
14.22611  -11.97109      23.17934  32.66980 13.39846 27.66101 13.39307 
5.008791       18.94447 
1 1 1 9   47 0  o 114.2790 9.982440 146.3556       22.96538  159.8829       
35.01389  136.1427       30.42363  112.2793 15.77000 104.9216 14.65957 
7.357727       21.53128 
1 1 1 9   47 1  o 31.82335 14.38839 -1.108576      19.90395  -15.32854      
28.92901  11.67387       27.42782  33.18661 15.77037 39.89440 17.52978 
-6.707790      23.57960 
1 1 1 9   47 2  o 44.54007 18.55702 25.90106       27.88043  0.000000       
0.000000  25.90106       27.88043  ?        ?        44.54007 18.55702 
0.000000       18.55702 
1 1 1 9   47 3  o 150.9064 3.789303 235.8999       11.62836  289.1192       
36.51519  229.8937       12.26700  155.1654 11.65771 148.7740 4.054709 
6.391357       12.34273 
1 1 1 9   47 4  o 79.48674 6.150694 68.25697       9.864534  81.54700       
22.12107  64.95817       11.02101  77.63493 14.54643 76.75891 7.142560 
0.8760223      16.20539 
1 1 1 9   47 5  o 38.66647 13.20603 20.66034       12.46848  20.66034       
12.46848  0.000000       0.000000  38.66647 13.20603 ?        ?        
0.000000       13.20603 
1 1 1 9   47 6  o 45.47628 14.38839 31.89745       14.90743  9.730193       
20.23909  58.18639       22.04050  32.26876 14.55675 57.36491 17.38741 
-25.09615      22.67644 
1 1 1 9   48 0  o 52.14349 16.49113 38.14914       19.58455  47.02806       
28.16690  29.83927       27.24934  54.26954 19.72954 46.10215 18.68055 
8.167393       27.17016 
1 1 1 9   48 1  o 28.90184 14.02297 -23.64089      25.75299  0.000000       
0.000000  -23.64089      25.75299  ?        ?        28.90184 14.02297 
0.000000       14.02297 
1 1 1 9   48 2  f 34.18059 15.88997 0.2121581      26.67225  0.000000       
0.000000  0.2121581      26.67225  ?        ?        34.18059 15.88997 
0.000000       15.88997 
1 1 1 9   48 3  f 84.28854 12.80851 91.78803       21.26327  106.4615       
30.45704  77.83601       29.69890  81.19277 18.81477 65.21964 20.26038 
15.97314       27.64920 
1 1 1 9   48 4  o 27.34606 10.34407 8.203514       7.883937  -5.344552      
20.30913  10.60742       8.554837  28.28358 13.37363 29.82017 10.86820 
-1.536583      17.23287 
1 1 1 9   48 5  o 33.83390 14.89239 14.73692       19.87047  14.73692       
19.87047  0.000000       0.000000  33.83390 14.89239 ?        ?        
0.000000       14.89239 
1 1 1 9   48 6  o 18.44344 8.981521 -12.70589      10.82907  -21.92288      
12.84063  9.995127       20.15183  18.15431 9.017378 31.09294 14.22108 
-12.93862      16.83901 
1 1 1 9   49 0  o 49.91319 16.96009 38.11289       20.56382  41.44670       
33.02161  36.00105       26.28200  48.02114 20.11706 46.91562 18.56834 
1.105522       27.37662 
1 1 1 9   49 1  o 41.43234 17.59018 25.59573       25.79620  0.000000       
0.000000  25.59573       25.79620  ?        ?        41.43234 17.59018 
0.000000       17.59018 
1 1 1 9   49 2  o 29.17668 13.49803 -0.7633736     18.89849  52.40002       
28.05288  -44.93967      25.57206  51.32097 19.48845 24.29893 12.17021 
27.02204       22.97637 
1 1 1 9   49 3  o 34.55486 14.74527 15.51194       18.29442  9.827265       
27.55694  19.99178       24.46295  34.33461 16.02474 36.93141 16.37623 
-2.596802      22.91229 
1 1 1 9   49 4  o 19.54496 8.732091 -0.3764123     7.090684  12.81223       
20.38788  -2.191186      7.562810  32.78445 14.71540 19.04197 8.710277 
13.74248       17.10005 
1 1 1 9   49 5  o 28.22259 13.32034 1.591647       19.98097  1.591647       
19.98097  0.000000       0.000000  28.22259 13.32034 ?        ?        
0.000000       13.32034 
1 1 1 9   50 0  o 39.97658 17.38972 25.20365       26.39997  0.000000       
0.000000  25.20365       26.39997  ?        ?        39.97658 17.38972 
0.000000       17.38972 
1 1 1 9   50 1  o 24.58896 12.00804 -18.88605      19.74770  -61.26405      
32.77477  5.267558       24.74345  25.61736 12.95048 32.62935 15.21404 
-7.011995      19.97954 
1 1 1 9   50 2  o 59.08261 15.66827 55.99981       19.13224  59.58242       
28.66130  53.12035       25.69519  50.61401 19.57746 49.82047 18.71166 
0.7935486      27.08142 
1 1 1 9   50 3  o 36.94459 15.25017 23.89816       18.58010  10.44395       
29.00262  33.26369       24.19772  32.83781 15.65680 39.69178 16.94830 
-6.853977      23.07336 
1 1 1 9   50 4  o 34.39697 9.596221 15.53293       6.966557  2.920542       
19.90209  17.29411       7.437069  28.19328 13.30269 36.11957 9.852417 
-7.926289      16.55391 
1 1 1 9   51 0  o 32.12842 14.95215 7.971817       23.71943  0.000000       
0.000000  7.971817       23.71943  ?        ?        32.12842 14.95215 
0.000000       14.95215 
1 1 1 9   51 1  f 36.81377 15.35737 23.71191       19.12922  51.98271       
31.32464  6.899064       24.15670  43.85221 19.00874 31.24600 14.71641 
12.60621       24.03966 
1 1 1 9   51 2  o 64.21351 14.78894 66.38190       18.91297  65.84261       
31.46634  66.68694       23.66462  46.77798 19.61903 56.18831 18.16585 
-9.410332      26.73770 
1 1 1 9   51 3  o 44.46185 14.92268 36.44867       15.91799  22.65969       
21.99105  51.62470       23.07060  33.93123 15.25250 46.09583 17.63288 
-12.16460      23.31431 
1 1 1 9   52 0  o 31.32403 14.09928 13.48884       18.86468  22.69826       
30.50276  7.784452       24.00643  34.23252 16.24590 30.39926 14.42258 
3.833269       21.72418 
1 1 1 9   52 1  o 27.37240 12.77371 4.438304       17.50114  -0.4683426     
26.63912  8.164214       23.21366  28.58923 13.95830 29.71000 14.12079 
-1.120768      19.85525 
1 1 1 9   52 2  o 38.53181 15.45172 32.67392       18.43484  34.31944       
30.58618  31.73512       23.10262  34.63963 16.38921 35.80125 15.89284 
-1.161625      22.82956 
1 1 1 9   53 0  o 25.85417 12.25014 2.217067       17.20809  22.37145       
26.52480  -12.43044      22.61254  31.99481 15.17395 24.60798 12.17778 
7.386831       19.45629 
1 1 1 10  0  0  o 26.80639 15.88073 8.036551       14.98186  8.036551       
14.98186  8.036551       14.98186  26.80639 15.88073 26.80639 15.88073 
0.000000       0.000000 
1 1 1 10  0  1  o 274.1093 5.787739 765.2787       32.22900  765.2787       
32.22900  765.2787       32.22900  274.1093 5.787739 274.1093 5.787739 
0.000000       0.000000 
1 1 1 10  0  2  o 69.18635 18.26407 57.92318       22.20048  57.92318       
22.20048  57.92318       22.20048  69.18635 18.26407 69.18635 18.26407 
0.000000       0.000000 
1 1 1 10  0  3  o 22.14712 15.23313 -16.28006      22.47739  -16.28006      
22.47739  -16.28006      22.47739  22.14712 15.23313 22.14712 15.23313 
0.000000       0.000000 
1 1 1 10  0  4  o 275.7386 6.750241 775.2098       37.79896  775.2098       
37.79896  775.2098       37.79896  275.7386 6.750241 275.7386 6.750241 
0.000000       0.000000 
1 1 1 10  0  5  o 284.8762 6.674992 827.5534       38.62065  827.5534       
38.62065  827.5534       38.62065  284.8762 6.674992 284.8762 6.674992 
0.000000       0.000000 
1 1 1 10  0  6  o 56.63493 20.00745 43.27524       20.94258  43.27524       
20.94258  43.27524       20.94258  56.63493 20.00745 56.63493 20.00745 
0.000000       0.000000 
1 1 1 10  0  7  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 10  0  8  o 164.3393 7.430236 277.1969       24.71550  277.1969       
24.71550  277.1969       24.71550  164.3393 7.430236 164.3393 7.430236 
0.000000       0.000000 
1 1 1 10  0  9  o 227.1926 7.886039 529.1087       36.33428  529.1087       
36.33428  529.1087       36.33428  227.1926 7.886039 227.1926 7.886039 
0.000000       0.000000 
1 1 1 10  0  10 o 93.67872 15.76758 98.12188       27.48073  98.12188       
27.48073  98.12188       27.48073  93.67872 15.76758 93.67872 15.76758 
0.000000       0.000000 
1 1 1 10  0  11 o 238.8678 13.38407 596.7127       64.54581  596.7127       
64.54581  596.7127       64.54581  238.8678 13.38407 238.8678 13.38407 
0.000000       0.000000 
1 1 1 10  0  12 o 296.4074 10.65926 909.7334       64.06072  909.7334       
64.06072  909.7334       64.06072  296.4074 10.65926 296.4074 10.65926 
0.000000       0.000000 
1 1 1 10  0  13 o 34.07916 21.57084 7.942973       32.14694  7.942973       
32.14694  7.942973       32.14694  34.07916 21.57084 34.07916 21.57084 
0.000000       0.000000 
1 1 1 10  0  14 o 39.63259 23.41405 22.85996       32.40742  22.85996       
32.40742  22.85996       32.40742  39.63259 23.41405 39.63259 23.41405 
0.000000       0.000000 
1 1 1 10  0  15 o 44.85675 25.86464 35.50296       37.99837  35.50296       
37.99837  35.50296       37.99837  44.85675 25.86464 44.85675 25.86464 
0.000000       0.000000 
1 1 1 10  0  16 o 30.46493 19.09602 11.39252       24.51456  11.39252       
24.51456  11.39252       24.51456  30.46493 19.09602 30.46493 19.09602 
0.000000       0.000000 
1 1 1 10  0  17 o 32.96627 19.65207 20.21030       23.19416  20.21030       
23.19416  20.21030       23.19416  32.96627 19.65207 32.96627 19.65207 
0.000000       0.000000 
1 1 1 10  1  0  o 437.7238 4.611922 1949.018       41.05193  1959.045       
58.18058  1939.078       57.93260  438.7503 6.520925 436.5083 6.526480 
2.241943       9.225909 
1 1 1 10  1  1  o 463.9435 4.799150 2189.691       45.27734  2162.033       
63.47517  2218.341       64.60339  460.8826 6.772705 466.8432 6.805073 
-5.960663      9.600965 
1 1 1 10  1  2  o 368.6422 4.533273 1382.515       33.98351  1323.533       
65.10531  1404.604       39.84190  360.4120 8.883125 371.5394 5.273314 
-11.12747      10.33043 
1 1 1 10  1  3  o 117.5738 8.170930 141.5293       19.41455  141.6342       
31.83709  141.4672       24.49636  116.8977 13.64999 117.2995 10.37667 
-0.4018021     17.14635 
1 1 1 10  1  4  o 288.2586 5.345655 845.8201       31.33536  866.5845       
39.41973  810.1761       51.64716  291.6854 6.645805 281.8257 9.011859 
9.859680       11.19734 
1 1 1 10  1  5  o 496.9958 10.67990 2526.073       107.9373  2526.073       
107.9373  0.000000       0.000000  496.9958 10.67990 ?        ?        
0.000000       10.67990 
1 1 1 10  1  6  o 354.4781 4.639577 1279.412       33.44408  1351.887       
48.90337  1215.734       45.83932  364.1177 6.604586 345.3067 6.528023 
18.81094       9.286314 
1 1 1 10  1  7  o 296.7569 4.482565 896.8705       27.05073  927.6313       
38.58913  867.1510       37.93039  301.5653 6.292631 291.5531 6.397617 
10.01221       8.973667 
1 1 1 10  1  8  o 212.5150 4.682171 460.1803       20.23431  462.7123       
28.37165  457.5592       28.86602  212.8812 6.553842 211.6717 6.706140 
1.209473       9.376842 
1 1 1 10  1  9  o 308.1021 5.872604 968.9468       36.79399  961.9991       
45.73712  981.6902       61.94296  306.6626 7.334265 309.0335 9.856776 
-2.370972      12.28607 
1 1 1 10  1  10 f 64.47752 14.59973 45.08335       18.69777  32.61424       
26.63640  57.19612       26.25304  56.90430 19.30268 72.12971 17.96573 
-15.22541      26.36970 
1 1 1 10  1  11 o 108.8593 12.11310 124.5506       26.35994  120.9657       
30.61853  134.8163       51.81320  106.5191 14.51309 108.7052 24.07384 
-2.186081      28.11014 
1 1 1 10  1  12 o 171.1972 10.49392 304.5779       36.35677  304.5779       
36.35677  0.000000       0.000000  171.1972 10.49392 ?        ?        
0.000000       10.49392 
1 1 1 10  1  13 o 122.3148 12.51406 158.0306       30.68810  160.6862       
35.22028  149.6583       62.53728  122.6252 14.39812 111.6254 27.68511 
10.99982       31.20531 
1 1 1 10  1  14 o 78.30680 14.38998 67.07893       22.07013  45.65894       
31.04664  88.96107       31.37978  64.07466 20.81535 88.97025 17.96305 
-24.89559      27.49454 
1 1 1 10  1  15 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 10  1  16 o 31.55020 13.77829 -0.7441830     16.71540  -6.323484      
24.48726  4.123957       22.87346  35.64134 16.05109 38.34097 16.42745 
-2.699623      22.96734 
1 1 1 10  1  17 o 41.74434 15.71368 17.67044       18.14082  -19.71691      
30.30667  38.54536       22.64583  35.14279 16.53094 55.78621 17.74283 
-20.64342      24.25036 
1 1 1 10  2  0  o 524.4061 5.125193 2797.679       54.65493  2940.189       
80.17183  2673.942       74.70491  537.4402 7.335677 512.5423 7.167505 
24.89789       10.25599 
1 1 1 10  2  1  o 477.9252 6.914267 2325.009       67.19817  2325.009       
67.19817  0.000000       0.000000  477.9252 6.914267 ?        ?        
0.000000       6.914267 
1 1 1 10  2  2  o 498.8810 5.094270 2532.321       51.68093  2457.931       
100.4373  2559.110       60.27248  491.0020 10.05913 501.4522 5.910688 
-10.45026      11.66714 
1 1 1 10  2  3  o 590.8231 6.597522 3554.223       79.26650  3687.555       
140.4105  3491.853       96.03290  600.9485 11.48976 585.4134 8.066887 
15.53516       14.03885 
1 1 1 10  2  4  o 319.3521 5.310861 1038.128       34.48944  1117.494       
44.54633  919.3546       54.49472  331.2319 6.613454 300.2199 8.926136 
31.01196       11.10917 
1 1 1 10  2  5  o 346.3855 5.434193 1221.800       38.27773  1259.332       
69.61029  1205.533       45.82844  351.0749 9.750397 343.9535 6.552153 
7.121399       11.74738 
1 1 1 10  2  6  o 173.5310 6.325803 306.9849       22.32256  288.4246       
26.56662  351.5586       41.17026  168.0910 7.772138 184.8924 10.99963 
-16.80145      13.46840 
1 1 1 10  2  7  o 299.0115 4.536378 910.5948       27.58345  898.6994       
38.56149  923.0588       39.47223  296.8077 6.388916 300.7932 6.453155 
-3.985535      9.080830 
1 1 1 10  2  8  o 133.4698 7.276482 182.6016       19.67495  162.1864       
22.70004  244.2516       39.44721  125.4945 8.953856 153.2653 12.77304 
-27.77081      15.59879 
1 1 1 10  2  9  o 330.4965 5.591220 1114.534       37.57724  1114.534       
37.57724  0.000000       0.000000  330.4965 5.591220 ?        ?        
0.000000       5.591220 
1 1 1 10  2  10 o 98.27685 12.51738 101.7151       24.44801  105.5048       
28.19328  90.22610       49.08898  99.60377 14.33205 89.13808 25.68081 
10.46568       29.40938 
1 1 1 10  2  11 o 88.08527 14.96902 83.57582       25.85366  91.53731       
30.01536  60.68839       50.89147  91.70786 16.71048 75.81129 26.64019 
15.89658       31.44741 
1 1 1 10  2  12 o 267.2620 6.584967 731.5710       35.78840  751.4570       
45.90012  700.7358       57.15614  270.2745 8.351361 259.9757 10.81132 
10.29883       13.66125 
1 1 1 10  2  13 o 126.7684 13.64812 170.8165       34.62869  170.8165       
34.62869  0.000000       0.000000  126.7684 13.64812 ?        ?        
0.000000       13.64812 
1 1 1 10  2  14 o 128.1863 9.223874 171.1763       23.88326  145.3325       
34.24377  195.6548       33.32695  115.8334 14.88192 135.9193 12.18711 
-20.08597      19.23531 
1 1 1 10  2  15 o 58.10180 15.55353 38.19363       18.74114  -20.00895      
26.06783  100.4612       26.96278  33.46461 15.60764 95.55009 14.31751 
-62.08548      21.17993 
1 1 1 10  2  16 o 25.37248 12.22127 -25.14900      18.69612  -18.88484      
32.98841  -28.11316      22.69246  37.89768 17.63581 28.26430 13.57586 
9.633387       22.25591 
1 1 1 10  2  17 o 32.00092 14.25641 -2.506290      18.75662  12.33067       
32.88384  -9.661255      22.83567  45.47134 19.59332 32.68250 15.01790 
12.78884       24.68675 
1 1 1 10  3  0  o 450.2202 6.619162 2062.894       60.60095  2062.894       
60.60095  0.000000       0.000000  450.2202 6.619162 ?        ?        
0.000000       6.619162 
1 1 1 10  3  1  o 483.1623 4.918262 2374.953       48.32324  2486.482       
70.46429  2275.931       66.39580  494.2315 7.011117 472.8516 6.905010 
21.37991       9.840474 
1 1 1 10  3  2  o 253.4070 4.404159 653.2637       22.69515  681.6909       
44.70753  643.3951       26.34157  258.6757 8.499112 251.4612 5.151329 
7.214478       9.938365 
1 1 1 10  3  3  o 516.7122 10.48354 2724.427       110.1560  2724.427       
110.1560  0.000000       0.000000  516.7122 10.48354 ?        ?        
0.000000       10.48354 
1 1 1 10  3  4  o 224.9873 5.654851 515.3492       25.87204  499.4230       
31.76355  546.7439       44.59650  221.4036 7.054933 231.4677 9.474558 
-10.06409      11.81268 
1 1 1 10  3  5  f 361.3634 9.962071 1334.594       73.20576  1334.594       
73.20576  0.000000       0.000000  361.3634 9.962071 ?        ?        
0.000000       9.962071 
1 1 1 10  3  6  o 347.0215 6.581525 1227.960       46.44451  1227.960       
46.44451  0.000000       0.000000  347.0215 6.581525 ?        ?        
0.000000       6.581525 
1 1 1 10  3  7  o 566.7223 11.06426 3298.506       127.5100  0.000000       
0.000000  3298.506       127.5100  ?        ?        566.7223 11.06426 
0.000000       11.06426 
1 1 1 10  3  8  o 267.4758 5.388571 729.5169       29.30958  711.5620       
34.96724  771.9311       53.74344  263.9896 6.513630 274.2803 9.635612 
-10.29074      11.63067 
1 1 1 10  3  9  o 192.0392 5.420413 376.2336       21.16771  367.5099       
24.33340  403.3704       42.91714  189.6873 6.308314 197.6043 10.72040 
-7.917084      12.43872 
1 1 1 10  3  10 o 114.3887 9.061873 135.2908       20.90661  154.8472       
30.85989  118.7010       28.42304  121.5135 12.67530 105.9971 13.49222 
15.51641       18.51225 
1 1 1 10  3  11 o 145.2449 9.278432 218.1458       27.26174  217.8781       
31.60532  218.9240       53.88321  144.7230 10.81740 141.7685 19.18323 
2.954468       22.02300 
1 1 1 10  3  12 o 76.56512 15.99401 64.26917       24.09928  39.90754       
31.50381  98.63430       37.41699  61.82335 20.99227 93.73473 20.22355 
-31.91138      29.14905 
1 1 1 10  3  13 o 43.79946 17.16094 13.52441       22.24190  13.33444       
32.43256  13.69308       30.56044  49.61343 20.27526 48.72834 19.76958 
0.8850861      28.31824 
1 1 1 10  3  14 o 44.03212 19.03094 1.238333       31.21409  1.238333       
31.21409  0.000000       0.000000  44.03212 19.03094 ?        ?        
0.000000       19.03094 
1 1 1 10  3  15 o 150.3914 8.085941 235.3318       24.63812  299.2368       
43.73276  205.6173       29.82107  166.7502 12.99971 139.4032 10.59899 
27.34708       16.77293 
1 1 1 10  3  16 o 26.63299 12.65250 -19.79167      18.59546  -65.84435      
33.26237  1.145398       22.42764  29.74575 14.72909 36.79770 16.01756 
-7.051950      21.76025 
1 1 1 10  3  17 o 27.02349 12.47511 -9.332705      16.01526  22.77349       
22.88484  -40.14869      22.42030  46.21918 17.58984 25.25371 12.42639 
20.96548       21.53642 
1 1 1 10  4  0  o 250.1708 4.015172 636.5695       20.42642  644.8214       
29.02448  628.4717       28.75208  251.7435 5.669629 248.5309 5.689019 
3.212601       8.031789 
1 1 1 10  4  1  o 547.1956 6.142018 3047.190       68.34475  2995.675       
82.52279  3159.685       121.9475  542.4319 7.481302 556.6823 10.77244 
-14.25037      13.11546 
1 1 1 10  4  2  o 227.6923 8.901484 528.2905       41.21566  528.2905       
41.21566  0.000000       0.000000  227.6923 8.901484 ?        ?        
0.000000       8.901484 
1 1 1 10  4  3  o 246.7859 7.041538 620.2662       35.33778  620.2662       
35.33778  0.000000       0.000000  246.7859 7.041538 ?        ?        
0.000000       7.041538 
1 1 1 10  4  4  o 220.6109 5.592931 495.4933       25.09099  493.9041       
31.72721  498.1468       40.99639  220.1706 7.086327 220.9633 9.123762 
-0.7927856     11.55245 
1 1 1 10  4  5  o 216.2945 7.558459 477.1202       33.24529  477.1202       
33.24529  0.000000       0.000000  216.2945 7.558459 ?        ?        
0.000000       7.558459 
1 1 1 10  4  6  o 234.2513 5.589646 559.1163       26.62673  577.1349       
32.87048  524.7278       45.41012  237.8762 6.795223 226.4294 9.862081 
11.44681       11.97646 
1 1 1 10  4  7  o 217.3415 6.472893 481.9751       28.60833  0.000000       
0.000000  481.9751       28.60833  ?        ?        217.3415 6.472893 
0.000000       6.472893 
1 1 1 10  4  8  o 278.6752 5.896618 792.3665       33.41587  770.1220       
41.84229  831.5345       55.52262  274.4426 7.497433 284.6691 9.591316 
-10.22653      12.17394 
1 1 1 10  4  9  o 216.2750 6.340725 477.7996       27.88667  465.6147       
35.56085  497.2606       44.94128  213.1678 8.203500 219.8682 10.05152 
-6.700394      12.97422 
1 1 1 10  4  10 o 104.3123 13.64256 115.1328       28.24554  71.90961       
47.23034  139.1987       35.24227  80.58723 25.62278 114.2319 15.57752 
-33.64472      29.98643 
1 1 1 10  4  11 o 99.05536 13.42550 104.2099       26.34648  124.3089       
30.59309  46.51150       51.83436  108.0532 14.27234 70.49261 26.55665 
37.56059       30.14889 
1 1 1 10  4  12 o 46.43616 17.69440 17.23110       23.17577  53.30984       
36.10040  -8.063144      30.22714  69.64989 22.42838 40.79889 18.14195 
28.85100       28.84723 
1 1 1 10  4  13 o 170.4526 8.280378 299.2687       28.70155  279.3308       
47.02426  311.1062       36.23352  162.0061 14.42470 172.8750 10.35454 
-10.86896      17.75636 
1 1 1 10  4  14 o 168.4484 10.35128 296.8214       35.28612  296.8214       
35.28612  0.000000       0.000000  168.4484 10.35128 ?        ?        
0.000000       10.35128 
1 1 1 10  4  15 o 62.59966 14.22334 43.90129       17.69457  43.10647       
24.93812  44.70714       25.11057  61.15909 18.48560 62.18160 18.49442 
-1.022511      26.14883 
1 1 1 10  4  16 o 44.58923 16.10631 20.61554       18.72778  25.56203       
32.21980  18.09165       23.01489  51.69730 20.52801 44.82199 17.48561 
6.875317       26.96564 
1 1 1 10  4  17 o 39.18318 14.95884 14.73023       16.58327  -1.770110      
22.82920  33.16352       24.12935  35.21717 15.70583 52.27394 18.34515 
-17.05677      24.14990 
1 1 1 10  5  0  o 281.3830 4.063428 805.3314       23.25101  803.4885       
32.72162  807.2110       33.04454  281.0106 5.726123 281.6593 5.769315 
-0.6486511     8.128560 
1 1 1 10  5  1  o 277.1117 4.184925 781.1200       23.58272  745.2888       
32.73356  819.7883       34.00477  270.6221 5.948103 283.8281 5.891596 
-13.20599      8.372027 
1 1 1 10  5  2  f 400.6040 9.241508 1635.703       75.28520  1635.703       
75.28520  0.000000       0.000000  400.6040 9.241508 ?        ?        
0.000000       9.241508 
1 1 1 10  5  3  o 129.9866 6.584874 172.4926       17.34914  158.0981       
25.79165  184.3883       23.44645  124.0470 10.31810 134.2189 8.636223 
-10.17187      13.45539 
1 1 1 10  5  4  o 303.2534 5.433503 936.2203       33.50711  815.4553       
59.75760  991.6012       40.46716  282.5479 10.40039 312.0199 6.377772 
-29.47202      12.20017 
1 1 1 10  5  5  o 95.86012 8.288875 94.47488       15.99892  104.0595       
24.03332  86.84717       21.43990  100.0653 12.05330 91.33035 11.82139 
8.734955       16.88275 
1 1 1 10  5  6  o 161.6846 6.654512 266.6160       21.87945  265.1168       
26.41700  269.8911       39.04378  160.9106 8.099146 161.6967 11.95889 
-0.7861023     14.44338 
1 1 1 10  5  7  o 209.5008 4.768981 447.1287       20.31714  500.5316       
30.16089  402.7650       27.49004  221.4510 6.697536 198.6374 6.805546 
22.81363       9.548427 
1 1 1 10  5  8  o 178.5141 5.545805 325.0281       20.13208  319.9182       
23.37744  339.6952       39.60611  177.0030 6.494786 181.4044 10.78508 
-4.401428      12.58969 
1 1 1 10  5  9  o 82.40752 10.70792 71.09622       17.52014  63.36881       
20.80881  89.91371       32.47215  76.99902 13.79629 90.81976 18.21623 
-13.82074      22.85101 
1 1 1 10  5  10 o 67.80924 14.78835 49.88373       19.81762  69.46743       
25.35223  19.11835       31.77605  79.94416 16.15063 52.23423 20.49829 
27.70993       26.09642 
1 1 1 10  5  11 o 147.5793 7.706014 224.0770       23.04610  238.4049       
33.08315  210.5692       32.12229  151.3940 10.81724 142.1169 11.20592 
9.277115       15.57514 
1 1 1 10  5  12 o 56.74453 16.92924 34.94482       21.01626  40.48265       
29.69270  29.38548       29.75033  61.69764 20.37173 55.76912 20.27624 
5.928524       28.74253 
1 1 1 10  5  13 o 94.43302 13.39185 95.44576       24.99627  146.9867       
42.86720  68.89240       30.76867  115.1012 18.97583 78.06006 19.45328 
37.04113       27.17558 
1 1 1 10  5  14 o 44.01095 16.87001 15.69501       21.14458  33.06888       
30.53151  -0.3183281     29.31169  57.12923 20.57504 42.20952 18.34226 
14.91971       27.56394 
1 1 1 10  5  15 o 36.10862 14.81457 6.526136       17.40066  -14.29578      
25.16987  25.58806       24.08263  34.26303 15.75252 50.29022 18.24920 
-16.02719      24.10758 
1 1 1 10  5  16 o 60.04173 15.43262 42.15916       18.94584  70.70630       
32.65618  27.67561       23.26064  74.76360 20.74775 50.14578 17.96946 
24.61782       27.44760 
1 1 1 10  6  0  o 83.62426 6.932017 71.66780       11.68180  63.99059       
16.43664  79.50381       16.60577  78.53365 10.55976 87.83473 9.445406 
-9.301086      14.16771 
1 1 1 10  6  1  o 194.1903 5.143816 383.6770       20.31255  345.1278       
34.38906  404.3332       25.17312  184.0424 9.188638 199.3187 6.210658 
-15.27635      11.09069 
1 1 1 10  6  2  o 403.6985 9.296419 1661.239       76.31751  1661.239       
76.31751  0.000000       0.000000  403.6985 9.296419 ?        ?        
0.000000       9.296419 
1 1 1 10  6  3  o 472.6176 7.135887 2275.184       68.58186  0.000000       
0.000000  2275.184       68.58186  ?        ?        472.6176 7.135887 
0.000000       7.135887 
1 1 1 10  6  4  o 316.7612 10.09515 1024.774       65.02734  1024.774       
65.02734  0.000000       0.000000  316.7612 10.09515 ?        ?        
0.000000       10.09515 
1 1 1 10  6  5  o 337.8276 5.278298 1162.224       36.26106  1160.750       
45.97433  1164.651       58.98531  337.4523 6.699642 337.7463 8.588194 
-0.2939758     10.89230 
1 1 1 10  6  6  o 193.2174 6.920052 380.8786       27.18986  0.000000       
0.000000  380.8786       27.18986  ?        ?        193.2174 6.920052 
0.000000       6.920052 
1 1 1 10  6  7  o 236.4874 4.592587 569.6835       22.08599  597.2464       
32.58553  546.2615       30.03833  241.9016 6.624219 231.3774 6.384155 
10.52415       9.199876 
1 1 1 10  6  8  o 56.91637 13.53806 34.87679       15.44088  32.98049       
18.07942  39.98864       29.68390  55.45055 15.45525 62.25749 20.35967 
-6.806934      25.56132 
1 1 1 10  6  9  o 226.1622 5.051692 521.6470       23.23316  518.8664       
27.05401  529.4586       45.34519  225.4343 5.901471 226.8958 9.827734 
-1.461517      11.46350 
1 1 1 10  6  10 o 60.72647 14.82513 40.10833       18.14781  30.82230       
21.91556  60.36880       32.37146  54.37695 17.47136 73.78638 20.72143 
-19.40944      27.10398 
1 1 1 10  6  11 o 90.86583 11.62216 87.02605       20.98323  90.51913       
30.80909  84.00388       28.65718  90.91280 17.29689 87.70610 16.67716 
3.206696       24.02728 
1 1 1 10  6  12 o 90.10905 12.27794 86.14751       21.91238  63.77756       
32.27624  105.2731       29.84405  75.19123 20.53121 98.71974 15.36614 
-23.52851      25.64466 
1 1 1 10  6  13 o 106.4052 12.43547 120.0471       26.40013  122.8194       
44.89895  118.5821       32.63836  103.5113 22.00786 104.4480 15.86559 
-0.9366760     27.13048 
1 1 1 10  6  14 o 93.58978 11.89081 93.44293       22.11954  83.90563       
31.50209  102.7180       31.06599  85.89027 18.57656 96.27441 16.45940 
-10.38415      24.81936 
1 1 1 10  6  15 o 68.35952 13.22901 51.71286       17.72506  34.78622       
25.64248  67.20094       24.52864  55.94866 18.93932 76.81639 16.21181 
-20.86773      24.93032 
1 1 1 10  6  16 o 51.42035 15.21467 30.63462       17.02697  36.87762       
24.26342  24.57712       23.90022  55.74422 18.41576 48.47385 18.07751 
7.270367       25.80575 
1 1 1 10  7  0  o 479.0464 4.869720 2334.609       47.43873  2328.780       
66.91711  2340.499       67.26121  478.3177 6.879697 479.5182 6.897761 
-1.200562      9.742142 
1 1 1 10  7  1  o 130.0238 11.48510 173.8194       30.05530  173.8194       
30.05530  0.000000       0.000000  130.0238 11.48510 ?        ?        
0.000000       11.48510 
1 1 1 10  7  2  o 193.4661 4.815905 380.8341       18.94673  330.6964       
36.56411  399.2382       22.15285  179.7929 10.04083 198.0646 5.500112 
-18.27164      11.44856 
1 1 1 10  7  3  o 395.8960 4.757528 1594.928       38.30133  1495.465       
53.47259  1699.726       54.88766  383.1825 6.862370 408.5395 6.606771 
-25.35706      9.525835 
1 1 1 10  7  4  o 63.46644 14.75482 43.00275       18.68168  104.4162       
43.29759  28.95416       20.70849  98.36225 22.17607 53.45653 16.96321 
44.90572       27.92003 
1 1 1 10  7  5  o 122.8607 7.448575 154.5330       18.52173  158.7991       
25.33058  149.6315       27.15147  124.1990 10.11734 120.3609 11.22261 
3.838036       15.10985 
1 1 1 10  7  6  o 183.7204 5.001998 343.8189       18.68755  346.4549       
27.75442  341.6328       25.27555  184.2227 7.408625 182.9945 6.792209 
1.228210       10.05096 
1 1 1 10  7  7  o 281.1992 5.350415 806.0408       30.59518  841.0255       
37.64824  738.0037       52.50233  287.0714 6.449162 268.3075 9.622641 
18.76389       11.58391 
1 1 1 10  7  8  o 102.6010 7.842635 108.3463       16.23913  124.4736       
19.18235  67.55196       30.50846  109.8774 8.655106 78.48283 19.25975 
31.39458       21.11514 
1 1 1 10  7  9  o 113.4588 7.392185 132.3010       16.96227  110.0949       
19.50436  201.2224       34.36155  103.0919 9.407320 138.8998 12.29214 
-35.80796      15.47884 
1 1 1 10  7  10 o 95.13637 9.704602 94.16055       18.51194  94.40351       
22.48727  93.64970       32.60724  94.71896 11.94008 92.50276 17.98204 
2.216194       21.58517 
1 1 1 10  7  11 o 99.51390 11.75921 104.2389       23.33660  100.9888       
31.09060  108.4329       35.31796  96.42085 16.44651 99.35392 18.14952 
-2.933067      24.49271 
1 1 1 10  7  12 o 49.78953 17.21376 24.58367       21.20688  30.11494       
30.90921  19.66405       29.15015  56.51158 20.64887 50.72426 19.70910 
5.787319       28.54513 
1 1 1 10  7  13 o 41.91594 17.46524 6.307340       24.69942  91.32170       
42.38548  -37.40557      30.39316  88.49322 23.25101 33.36102 15.93983 
55.13219       28.19020 
1 1 1 10  7  14 o 49.52478 17.01467 25.25014       20.70338  45.01237       
30.44889  8.257990       28.23435  63.37064 20.61533 44.63219 18.64157 
18.73845       27.79389 
1 1 1 10  7  15 o 38.66745 15.10852 11.41718       17.20355  9.389157       
25.22054  13.18193       23.52668  42.63758 17.69733 43.38970 17.43595 
-0.7521210     24.84367 
1 1 1 10  7  16 o 98.97896 8.922210 104.2163       17.76532  62.42399       
24.57231  149.9841       25.71451  72.21133 17.01315 117.6906 10.86720 
-45.47923      20.18770 
1 1 1 10  8  0  o 127.3236 6.019507 164.9740       15.58552  192.1295       
28.32027  153.1766       18.66649  136.9106 10.24636 122.4258 7.534463 
14.48482       12.71833 
1 1 1 10  8  1  o 340.9686 5.040646 1182.902       34.95039  1073.663       
58.55378  1243.363       43.56164  324.6096 8.870378 349.5165 6.128936 
-24.90686      10.78181 
1 1 1 10  8  2  o 328.6506 5.022424 1099.095       33.56597  989.8342       
56.54892  1158.532       41.70828  311.6209 8.923727 337.3577 6.079673 
-25.73679      10.79793 
1 1 1 10  8  3  o 108.7969 11.42553 122.2603       24.90059  122.2603       
24.90059  0.000000       0.000000  108.7969 11.42553 ?        ?        
0.000000       11.42553 
1 1 1 10  8  4  o 124.1507 6.895139 157.5560       17.33927  113.6657       
26.41142  190.8017       22.98660  104.5836 12.67779 136.5107 8.320217 
-31.92716      15.16418 
1 1 1 10  8  5  o 219.4943 5.405156 490.7207       24.12587  526.7382       
32.11998  444.0956       36.54499  227.2760 6.949766 208.5234 8.618302 
18.75266       11.07133 
1 1 1 10  8  6  o 191.1243 4.834733 372.0648       18.79056  377.9375       
27.57045  366.9706       25.67808  192.4364 7.045392 189.6617 6.657812 
2.774734       9.693502 
1 1 1 10  8  7  f 269.1832 5.424903 738.7354       29.69555  794.2715       
37.05908  639.1052       49.63665  278.9490 6.533086 249.6193 9.778517 
29.32974       11.76013 
1 1 1 10  8  8  o 254.3594 5.382914 659.8961       27.84304  696.1666       
34.65217  593.8193       46.77113  261.0645 6.527265 240.4801 9.564170 
20.58438       11.57923 
1 1 1 10  8  9  o 262.7419 4.914691 704.0065       26.25893  680.6451       
30.33956  773.7524       52.42284  258.1987 5.778349 274.3660 9.395909 
-16.16730      11.03052 
1 1 1 10  8  10 o 70.84190 11.66340 53.29853       16.21734  41.50873       
18.75678  88.21106       32.27719  61.71239 15.07547 89.56212 18.33946 
-27.84973      23.74038 
1 1 1 10  8  11 o 77.19411 14.80036 64.64475       22.38770  38.16480       
30.17708  97.05915       33.38778  60.64372 20.54571 93.83392 18.15390 
-33.19020      27.41697 
1 1 1 10  8  12 o 137.7603 8.645164 196.2835       24.09582  178.3785       
34.59943  213.1458       33.57685  129.7977 13.29607 142.6098 11.68060 
-12.81206      17.69808 
1 1 1 10  8  13 f 148.4414 9.519323 229.0617       28.58363  219.5942       
47.34460  234.4919       35.85572  142.1747 16.69324 149.2863 11.91014 
-7.111588      20.50648 
1 1 1 10  8  14 o 113.4809 10.02961 135.2930       22.90679  107.0212       
32.60165  162.8596       32.19241  97.90054 16.99207 123.2894 13.03815 
-25.38882      21.41784 
1 1 1 10  8  15 o 25.06623 11.91528 -18.81715      16.53943  -14.25502      
24.42946  -22.67793      22.47336  33.56479 15.46391 29.64952 14.03424 
3.915270       20.88283 
1 1 1 10  8  16 o 28.34043 12.83225 -6.163899      15.89790  -19.29603      
22.46136  7.018999       22.50474  30.03010 14.15800 39.00571 16.48743 
-8.975613      21.73211 
1 1 1 10  9  0  o 352.6494 4.335703 1265.060       31.09239  1202.412       
42.28748  1338.785       45.87368  343.7302 6.049823 362.6897 6.219807 
-18.95950      8.676771 
1 1 1 10  9  1  o 234.6288 9.145122 561.0593       43.63372  561.0593       
43.63372  0.000000       0.000000  234.6288 9.145122 ?        ?        
0.000000       9.145122 
1 1 1 10  9  2  o 116.1602 6.517613 137.8177       15.33344  122.4097       
30.23843  143.1510       17.79035  108.4865 14.03576 118.3153 7.431969 
-9.828850      15.88196 
1 1 1 10  9  3  o 249.3751 5.384488 633.0360       27.30542  613.5292       
55.45538  639.2788       31.37194  245.0412 11.12892 250.5573 6.157195 
-5.516068      12.71865 
1 1 1 10  9  4  o 328.1254 4.612588 1095.882       30.77769  1049.976       
45.27750  1135.315       41.96361  320.9638 6.937052 333.8352 6.181435 
-12.87137      9.291546 
1 1 1 10  9  5  o 170.3727 5.979270 295.8018       20.71571  308.1922       
27.51101  279.5768       31.48169  173.7683 7.785463 165.0952 9.416194 
8.673080       12.21794 
1 1 1 10  9  6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 10  9  7  o 166.3146 10.75828 285.4707       36.19027  0.000000       
0.000000  285.4707       36.19027  ?        ?        166.3146 10.75828 
0.000000       10.75828 
1 1 1 10  9  8  o 180.9205 5.389858 333.8837       19.82972  325.0577       
23.11691  358.4674       38.58061  178.3992 6.372143 186.4176 10.21617 
-8.018417      12.04053 
1 1 1 10  9  9  o 104.5049 7.955800 112.5676       16.78021  111.8645       
19.88185  114.3084       31.28596  103.8745 9.518162 103.4825 15.33110 
0.3920288      18.04544 
1 1 1 10  9  10 o 73.15997 11.38818 56.68339       16.39139  42.25399       
18.93029  99.91414       32.76646  62.23647 15.10933 95.70411 17.48048 
-33.46764      23.10539 
1 1 1 10  9  11 o 168.3916 7.809297 291.2354       26.74138  290.2869       
35.65416  292.4550       40.43063  167.1155 10.54569 167.2198 11.96886 
-0.1042633     15.95196 
1 1 1 10  9  12 o 261.1446 8.500357 702.5468       45.14084  702.5468       
45.14084  0.000000       0.000000  261.1446 8.500357 ?        ?        
0.000000       8.500357 
1 1 1 10  9  13 o 194.3801 7.883584 389.1659       31.16211  458.9100       
54.17923  354.6872       38.09382  208.5289 12.83900 184.5147 10.19200 
24.01421       16.39258 
1 1 1 10  9  14 o 40.90638 16.38096 10.73297       20.68704  2.210386       
30.98542  17.58692       27.78701  43.94909 18.97812 48.26318 19.09547 
-4.314095      26.92223 
1 1 1 10  9  15 o 78.75176 11.36256 67.17390       17.67005  89.25603       
26.47127  49.42675       23.73113  89.08413 15.15518 64.97980 17.54754 
24.10432       23.18611 
1 1 1 10  9  16 o 38.13807 14.64547 12.96817       15.95383  6.849444       
22.52480  19.12763       22.59965  38.85329 16.46282 44.77348 17.36589 
-5.920185      23.92903 
1 1 1 10  10 0  o 248.3976 4.676183 627.7178       23.62057  626.7511       
29.52241  629.4374       39.37545  248.1662 5.850025 248.6117 7.788477 
-0.4454346     9.740799 
1 1 1 10  10 1  o 368.8693 5.171975 1384.556       38.79541  1321.344       
66.55147  1417.094       47.74723  360.0526 9.089504 373.1073 6.293076 
-13.05469      11.05540 
1 1 1 10  10 2  o 470.1551 4.947735 2249.431       47.30413  2134.523       
91.89665  2290.854       55.17557  457.4095 9.879684 474.3966 5.719444 
-16.98709      11.41579 
1 1 1 10  10 3  o 204.9646 5.288260 427.6513       22.04160  0.000000       
0.000000  427.6513       22.04160  ?        ?        204.9646 5.288260 
0.000000       5.288260 
1 1 1 10  10 4  o 218.8085 4.708568 487.3691       20.95098  470.9594       
31.74334  500.0348       27.88797  214.9201 7.263138 221.5391 6.190349 
-6.619049      9.543248 
1 1 1 10  10 5  o 241.1678 4.608819 592.2047       22.60271  624.7054       
34.13823  566.8371       30.16023  247.4942 6.783041 235.8029 6.289760 
11.69130       9.250444 
1 1 1 10  10 6  o 328.7112 4.535248 1100.474       30.31565  1110.807       
44.53038  1091.548       41.38755  329.9350 6.637073 327.1335 6.221474 
2.801453       9.097114 
1 1 1 10  10 7  o 331.1910 5.415931 1118.475       36.47566  1154.052       
45.49564  1054.457       61.02941  336.1712 6.655149 320.6608 9.359268 
15.51047       11.48420 
1 1 1 10  10 8  o 132.4365 6.567635 179.2140       17.68757  177.6118       
20.64202  183.6401       34.30953  131.4924 7.754010 132.5495 12.89186 
-1.057114      15.04409 
1 1 1 10  10 9  o 256.7774 5.516211 673.0615       28.80375  657.1150       
35.29892  704.8372       49.82843  253.4462 6.848955 261.7985 9.359628 
-8.352325      11.59788 
1 1 1 10  10 10 o 68.40524 11.84129 49.87891       15.87533  65.01481       
18.56724  8.735628       30.61207  78.26719 12.05263 47.12000 19.52261 
31.14719       22.94337 
1 1 1 10  10 11 o 129.9851 9.313195 175.1791       24.45434  132.5638       
32.48340  230.9250       37.15222  111.2975 14.71309 148.2860 12.43546 
-36.98848      19.26436 
1 1 1 10  10 12 o 203.3430 6.817428 424.0580       28.19040  424.0580       
28.19040  0.000000       0.000000  203.3430 6.817428 ?        ?        
0.000000       6.817428 
1 1 1 10  10 13 o 91.81786 14.04279 91.11600       25.38659  121.0850       
44.55864  76.71296       30.89036  102.3142 22.06509 82.30970 18.85961 
20.00454       29.02677 
1 1 1 10  10 14 o 45.44428 16.83348 19.00302       20.65495  24.74617       
31.51976  14.68071       27.34425  53.06868 20.52951 46.63694 18.77747 
6.431744       27.82183 
1 1 1 10  10 15 o 72.80453 12.50012 58.40736       17.83987  44.49244       
26.90964  69.31873       23.82907  61.36426 19.32215 77.95562 15.57657 
-16.59136      24.81884 
1 1 1 10  10 16 o 71.96279 17.08595 62.83295       24.63017  62.83295       
24.63017  0.000000       0.000000  71.96279 17.08595 ?        ?        
0.000000       17.08595 
1 1 1 10  11 0  o 235.6332 4.636152 564.8745       22.21496  556.4730       
27.60397  580.3181       37.42533  233.8350 5.805112 238.7077 7.709882 
-4.872742      9.650990 
1 1 1 10  11 1  f 383.9466 5.225500 1500.148       40.79905  1396.662       
69.33199  1554.967       50.46096  370.1336 9.211359 390.8192 6.349335 
-20.68558      11.18764 
1 1 1 10  11 2  o 317.3249 5.058932 1024.796       32.64482  930.9379       
55.44736  1074.591       40.38638  302.1353 9.024601 324.8726 6.113225 
-22.73734      10.90023 
1 1 1 10  11 3  o 121.9216 8.606698 152.3904       21.20167  0.000000       
0.000000  152.3904       21.20167  ?        ?        121.9216 8.606698 
0.000000       8.606698 
1 1 1 10  11 4  o 368.0569 4.614186 1379.010       34.53516  1394.458       
51.30081  1366.207       46.70259  369.8525 6.820940 366.1601 6.272179 
3.692352       9.266362 
1 1 1 10  11 5  o 319.8801 4.467798 1041.841       29.06244  1059.018       
43.13718  1027.564       39.32750  322.2435 6.582882 317.4908 6.091352 
4.752686       8.968775 
1 1 1 10  11 6  o 81.69484 8.663944 69.04624       14.17368  70.37410       
22.45395  68.16669       18.27462  81.40370 14.07346 80.65063 11.46548 
0.7530670      18.15267 
1 1 1 10  11 7  o 123.4537 7.357207 156.3622       18.38622  147.8062       
22.66759  172.8179       31.43620  119.6743 9.389723 128.8632 12.13943 
-9.188904      15.34708 
1 1 1 10  11 8  o 110.3606 7.447316 125.2012       16.61565  139.3175       
19.73285  90.80553       30.80221  116.2777 8.401857 91.57191 17.17210 
24.70580       19.11732 
1 1 1 10  11 9  o 164.2546 6.444490 275.8507       21.52571  284.0104       
26.81835  261.0742       36.08960  166.4299 7.924086 158.5133 11.26948 
7.916641       13.77651 
1 1 1 10  11 10 o 168.3470 5.904149 289.7112       20.21223  281.7014       
23.74938  310.7549       38.49487  165.8158 7.043282 172.8816 11.00698 
-7.065842      13.06758 
1 1 1 10  11 11 f 85.62365 10.01817 76.82094       17.11373  65.18114       
19.93950  109.3801       33.34861  77.95909 13.03798 100.0419 17.00084 
-22.08277      21.42469 
1 1 1 10  11 12 o 127.9197 9.227293 169.9109       23.84174  169.9109       
23.84174  0.000000       0.000000  127.9197 9.227293 ?        ?        
0.000000       9.227293 
1 1 1 10  11 13 o 47.50011 17.40988 20.83356       21.99718  -46.65897      
34.55433  66.82260       28.52343  34.55916 16.63828 76.78478 18.48865 
-42.22562      24.87293 
1 1 1 10  11 14 o 52.06209 16.95804 29.49524       20.60112  62.95114       
32.57638  7.198471       26.59423  73.00997 20.88673 42.92596 18.02159 
30.08401       27.58683 
1 1 1 10  11 15 o 92.22285 10.89569 91.62164       20.03883  40.45269       
34.87391  116.8441       24.48451  59.66857 21.91336 103.7977 11.81011 
-44.12915      24.89326 
1 1 1 10  11 16 o 35.72284 14.45522 8.902802       16.29263  3.246601       
24.33905  13.49520       21.93112  38.28986 16.67636 41.34888 16.75729 
-3.059017      23.64123 
1 1 1 10  12 0  o 381.7535 5.194464 1482.962       40.32507  1334.219       
66.76772  1568.374       50.59518  361.8101 9.074745 392.5177 6.338675 
-30.70761      11.06932 
1 1 1 10  12 1  o 188.8208 5.371511 362.8592       20.62518  376.2160       
37.58551  357.1040       24.67174  191.8174 9.666716 187.2766 6.478356 
4.540802       11.63677 
1 1 1 10  12 2  o 262.2259 5.007270 699.8406       26.70103  0.000000       
0.000000  699.8406       26.70103  ?        ?        262.2259 5.007270 
0.000000       5.007270 
1 1 1 10  12 3  o 413.3559 5.343733 1739.656       44.91799  1669.827       
77.70644  1774.697       55.04633  404.3880 9.449467 417.3633 6.485787 
-12.97525      11.46115 
1 1 1 10  12 4  o 248.9870 6.970450 632.1621       35.29303  632.1621       
35.29303  0.000000       0.000000  248.9870 6.970450 ?        ?        
0.000000       6.970450 
1 1 1 10  12 5  o 161.8562 5.186108 266.8957       17.06956  269.5994       
26.62998  265.0102       22.23906  162.4462 8.061387 161.1699 6.785490 
1.276382       10.53702 
1 1 1 10  12 6  o 262.0390 4.537915 699.4434       24.18097  731.3871       
36.01883  673.2336       32.62641  267.6789 6.617044 256.8714 6.246002 
10.80753       9.099331 
1 1 1 10  12 7  o 119.7479 7.197442 147.1206       17.44521  135.1746       
21.10676  172.8759       30.99144  114.4395 9.146140 128.8920 11.96028 
-14.45252      15.05657 
1 1 1 10  12 8  o 265.7329 4.834533 720.0237       26.12469  750.6087       
31.01703  645.3547       48.46371  271.1820 5.624552 250.5580 9.511674 
20.62399       11.05023 
1 1 1 10  12 9  o 257.6540 5.508794 677.8330       28.86323  725.4692       
36.64490  599.9830       46.84620  266.2693 6.767698 241.3948 9.543222 
24.87453       11.69935 
1 1 1 10  12 10 o 186.4586 6.177108 355.6494       23.42174  362.3729       
29.34468  343.8480       38.87775  187.9029 7.679702 181.9978 10.54996 
5.905136       13.04912 
1 1 1 10  12 11 o 124.9283 7.493587 160.8407       18.94920  157.9838       
22.16495  168.5994       36.52756  123.4743 8.886952 125.6633 14.56423 
-2.188995      17.06150 
1 1 1 10  12 12 o 191.3793 7.005148 375.9822       27.26238  375.9822       
27.26238  0.000000       0.000000  191.3793 7.005148 ?        ?        
0.000000       7.005148 
1 1 1 10  12 13 o 100.5168 9.329258 105.6364       18.85200  112.7616       
22.13770  86.83424       35.96155  103.4497 10.67681 86.67833 20.68921 
16.77141       23.28170 
1 1 1 10  12 14 o 77.05098 14.01005 65.56105       21.14312  35.51978       
32.37867  87.89326       27.91680  58.11365 21.14924 88.49712 16.10597 
-30.38347      26.58369 
1 1 1 10  12 15 f 107.9034 18.11414 136.7923       38.33847  136.7923       
38.33847  0.000000       0.000000  107.9034 18.11414 ?        ?        
0.000000       18.11414 
1 1 1 10  12 16 o 110.3392 11.48853 134.4211       25.39979  134.4211       
25.39979  0.000000       0.000000  110.3392 11.48853 ?        ?        
0.000000       11.48853 
1 1 1 10  13 0  o 280.6761 4.913495 801.6023       28.04447  828.5309       
51.07219  789.9774       33.55617  285.1143 8.808745 278.5860 5.923272 
6.528351       10.61504 
1 1 1 10  13 1  o 380.7477 4.510208 1475.064       34.92089  1339.384       
67.59346  1524.463       40.78551  362.4028 9.171951 387.0258 5.182205 
-24.62308      10.53470 
1 1 1 10  13 2  o 372.7103 6.232157 1414.725       47.23471  0.000000       
0.000000  1414.725       47.23471  ?        ?        372.7103 6.232157 
0.000000       6.232157 
1 1 1 10  13 3  o 307.0945 4.331440 959.8083       27.04929  935.4095       
55.54977  967.3915       30.96881  302.6790 9.025025 308.2606 4.940320 
-5.581512      10.28872 
1 1 1 10  13 4  o 267.3497 4.475545 727.6692       24.33196  702.2076       
36.09605  748.8743       32.94113  262.4163 6.764215 271.0822 5.975663 
-8.665863      9.025694 
1 1 1 10  13 5  o 71.25554 9.706942 52.94278       13.69939  71.00870       
21.59995  40.78545       17.71911  81.97118 13.42278 61.62939 14.39822 
20.34179       19.68451 
1 1 1 10  13 6  o 223.5111 6.948186 510.2568       31.58072  510.2568       
31.58072  0.000000       0.000000  223.5111 6.948186 ?        ?        
0.000000       6.948186 
1 1 1 10  13 7  o 227.4020 4.961203 527.2191       22.94208  538.0287       
27.37572  501.7160       42.04918  229.5977 5.863359 221.0682 9.353621 
8.529495       11.03944 
1 1 1 10  13 8  o 93.19960 8.730863 89.92607       16.35429  81.64393       
19.45764  109.8579       30.18507  88.26721 11.08473 101.4905 15.08443 
-13.22333      18.71927 
1 1 1 10  13 9  o 92.17599 9.935370 88.58463       18.32882  92.47964       
23.28721  82.24335       29.71333  93.53632 12.56032 86.65703 17.46485 
6.879295       21.51238 
1 1 1 10  13 10 o 82.69981 12.86888 72.97692       20.93824  97.39354       
30.23135  50.46600       29.02762  94.64713 16.29510 67.50459 19.83497 
27.14253       25.67015 
1 1 1 10  13 11 o 64.41061 13.53642 45.11796       17.16695  48.18040       
20.09813  36.85548       33.01236  66.19577 15.24513 60.45036 21.43431 
5.745411       26.30292 
1 1 1 10  13 12 o 53.94744 17.46185 30.96518       21.86111  30.96518       
21.86111  0.000000       0.000000  53.94744 17.46185 ?        ?        
0.000000       17.46185 
1 1 1 10  13 13 o 176.7560 6.848673 321.2599       24.61682  328.0290       
30.21893  307.9070       42.44274  178.1269 8.342537 170.5292 12.32216 
7.597717       14.88064 
1 1 1 10  13 14 o 115.6385 9.047403 140.2614       21.10583  142.6623       
32.31373  138.4751       27.87258  114.1486 14.22984 113.4640 12.27573 
0.6846008      18.79313 
1 1 1 10  13 15 o 95.70004 11.23970 99.42362       21.45704  106.3039       
40.01973  96.64779       25.41956  91.64063 21.79337 92.85116 13.88928 
-1.210526      25.84304 
1 1 1 10  13 16 f 60.33818 13.90330 42.71104       16.70864  23.20796       
22.78617  65.39494       24.57415  46.40855 17.57814 72.95877 16.89592 
-26.55022      24.38162 
1 1 1 10  14 0  o 377.0421 5.299620 1446.803       40.63367  1328.871       
67.82286  1512.834       50.75001  361.0033 9.238756 385.4611 6.474470 
-24.45776      11.28155 
1 1 1 10  14 1  o 223.8624 4.453543 509.9337       20.27395  433.6892       
40.88478  534.7954       23.34656  206.1526 9.752623 229.2316 5.008377 
-23.07901      10.96346 
1 1 1 10  14 2  o 352.9980 5.025538 1268.425       36.07499  0.000000       
0.000000  1268.425       36.07499  ?        ?        352.9980 5.025538 
0.000000       5.025538 
1 1 1 10  14 3  o 228.5740 4.323319 531.7719       20.09535  577.6115       
43.35252  519.2272       22.67895  237.8157 8.964422 225.8261 4.938525 
11.98961       10.23474 
1 1 1 10  14 4  o 378.6258 4.620893 1459.737       35.57849  1496.810       
53.83934  1430.996       47.40395  383.0589 6.911665 374.6583 6.221969 
8.400635       9.299678 
1 1 1 10  14 5  o 328.1987 6.734466 1099.328       44.94604  1099.328       
44.94604  0.000000       0.000000  328.1987 6.734466 ?        ?        
0.000000       6.734466 
1 1 1 10  14 6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 10  14 7  o 431.3587 5.939029 1899.618       52.09613  1864.749       
64.53777  1964.833       88.26089  426.8901 7.434408 437.1098 9.929478 
-10.21964      12.40423 
1 1 1 10  14 8  o 190.2933 5.411296 369.6034       20.93997  372.4605       
24.80713  362.5220       39.05485  190.8830 6.390840 187.2524 10.29598 
3.630554       12.11817 
1 1 1 10  14 9  o 231.3422 5.022614 546.2216       23.62849  520.1468       
27.47272  620.3275       46.31454  225.5739 5.989100 245.4239 9.280023 
-19.85005      11.04482 
1 1 1 10  14 10 o 311.6297 5.976470 993.4479       37.87347  956.2459       
48.35020  1052.520       60.92662  305.0909 7.793231 319.3439 9.382035 
-14.25299      12.19660 
1 1 1 10  14 11 o 70.07692 12.60665 52.86364       17.30441  57.55131       
20.67081  41.88362       31.63594  72.63369 14.50265 62.63965 21.03738 
9.994038       25.55187 
1 1 1 10  14 12 o 151.0216 8.268682 235.8873       25.29730  235.8873       
25.29730  0.000000       0.000000  151.0216 8.268682 ?        ?        
0.000000       8.268682 
1 1 1 10  14 13 o 113.6397 8.417442 134.3460       19.31355  129.8629       
22.74466  145.9343       36.56784  111.1400 10.17669 115.2329 16.04026 
-4.092903      18.99618 
1 1 1 10  14 14 o 38.05236 14.91533 10.76823       16.80707  11.29652       
19.50495  9.244936       33.12077  40.09759 15.95617 47.01375 19.94410 
-6.916161      25.54147 
1 1 1 10  14 15 o 90.13511 11.38034 88.72469       20.39445  80.93757       
34.44494  92.92825       25.30728  79.87680 20.94729 90.62930 14.19799 
-10.75249      25.30557 
1 1 1 10  14 16 o 46.55457 16.29349 25.10791       19.02787  16.33129       
23.03656  43.95264       33.75584  42.74577 17.22651 57.94069 21.50833 
-15.19491      27.55650 
1 1 1 10  15 0  o 267.6300 8.804644 730.3094       47.91793  730.3094       
47.91793  0.000000       0.000000  267.6300 8.804644 ?        ?        
0.000000       8.804644 
1 1 1 10  15 1  o 431.4292 5.404790 1894.819       47.41763  0.000000       
0.000000  1894.819       47.41763  ?        ?        431.4292 5.404790 
0.000000       5.404790 
1 1 1 10  15 2  o 557.4478 6.229005 3165.652       70.61131  3190.890       
125.0797  3153.847       85.54674  558.5284 11.01261 556.1544 7.564089 
2.374023       13.36012 
1 1 1 10  15 3  o 281.9859 4.872651 809.6457       27.94114  952.1895       
53.71936  756.7803       32.71466  305.3352 8.651720 272.5337 5.902972 
32.80151       10.47365 
1 1 1 10  15 4  o 208.7773 4.625253 443.8846       19.63677  412.3716       
30.43819  466.3507       25.70031  200.9789 7.447609 213.8894 5.908777 
-12.91052      9.506867 
1 1 1 10  15 5  o 181.1086 4.792919 334.1805       17.65187  361.2920       
27.92076  316.1292       22.78263  188.0603 7.300938 176.0131 6.365134 
12.04727       9.686001 
1 1 1 10  15 6  o 36.97638 15.11956 5.479398       18.04832  5.479398       
18.04832  0.000000       0.000000  36.97638 15.11956 ?        ?        
0.000000       15.11956 
1 1 1 10  15 7  o 187.1523 5.340608 357.3615       20.32531  355.2132       
24.11465  362.6318       37.77022  186.4548 6.359983 187.4801 9.942554 
-1.025223      11.80270 
1 1 1 10  15 8  o 179.6810 5.685119 329.7195       20.77270  328.1694       
24.88006  333.2868       37.74240  179.0828 6.831974 179.4409 10.38767 
-0.3581238     12.43300 
1 1 1 10  15 9  o 148.2835 6.190407 224.9045       18.66652  230.3705       
22.61284  213.2130       33.07165  149.8801 7.419244 142.9149 11.47639 
6.965195       13.66575 
1 1 1 10  15 10 o 196.0537 7.080838 394.2963       28.23001  340.7658       
37.71583  462.4926       42.57001  181.1009 10.28362 211.4428 9.900550 
-30.34192      14.27494 
1 1 1 10  15 11 o 155.4482 6.545584 247.7551       20.69119  238.7552       
24.63316  269.3208       38.13146  152.0866 7.992883 160.1871 11.78873 
-8.100494      14.24291 
1 1 1 10  15 12 o 75.30199 12.51312 61.03228       18.48872  46.10126       
21.08729  110.6614       38.44540  64.32430 16.14584 98.76566 19.83090 
-34.44136      25.57250 
1 1 1 10  15 13 o 92.69165 9.864046 90.54454       18.30721  103.2975       
21.78115  59.85336       33.78957  98.64955 11.04725 71.51036 21.49587 
27.13919       24.16846 
1 1 1 10  15 14 o 159.6229 6.435758 262.8622       20.89038  257.6162       
24.02733  279.1099       42.28532  157.6167 7.496385 160.4683 13.07193 
-2.851669      15.06888 
1 1 1 10  15 15 o 145.7735 6.496559 220.6113       19.25809  213.5427       
21.52473  248.9710       43.11429  142.7855 7.438879 148.4393 14.46692 
-5.653809      16.26742 
1 1 1 10  15 16 o 35.89924 15.03165 7.492469       18.42310  6.340871       
22.19726  10.04201       33.02784  37.65091 16.15867 44.18131 19.32906 
-6.530407      25.19356 
1 1 1 10  16 0  o 201.0352 5.363145 411.3930       21.92518  437.1964       
38.35373  398.8674       26.72197  207.0236 9.110378 197.8916 6.640332 
9.132019       11.27355 
1 1 1 10  16 1  o 113.2181 6.786725 131.0712       15.55319  0.000000       
0.000000  131.0712       15.55319  ?        ?        113.2181 6.786725 
0.000000       6.786725 
1 1 1 10  16 2  o 79.55215 7.964115 65.20695       12.71064  87.56188       
28.15218  59.48309       14.24524  90.92829 15.79847 75.72404 9.457100 
15.20425       18.41272 
1 1 1 10  16 3  o 300.9401 4.246659 921.9195       25.98836  986.5932       
56.16432  904.2996       29.31554  310.6992 8.889328 297.9982 4.837632 
12.70102       10.12042 
1 1 1 10  16 4  f 211.8336 7.293557 458.1788       31.41852  458.1788       
31.41852  0.000000       0.000000  211.8336 7.293557 ?        ?        
0.000000       7.293557 
1 1 1 10  16 5  o 242.1028 4.388430 597.0482       21.60531  641.0359       
34.31515  568.1586       27.80936  250.5552 6.734900 236.0138 5.794314 
14.54132       8.884421 
1 1 1 10  16 6  o 283.0326 5.605245 817.3380       32.26134  817.3380       
32.26134  0.000000       0.000000  283.0326 5.605245 ?        ?        
0.000000       5.605245 
1 1 1 10  16 7  o 116.1784 7.105970 138.6220       16.70733  125.6812       
19.92559  169.2616       30.66001  110.2661 8.963829 127.3383 11.98115 
-17.07228      14.96323 
1 1 1 10  16 8  o 218.2574 6.468812 487.2545       28.71078  501.3218       
39.40231  471.3314       41.92097  220.8336 8.774153 213.8852 9.638270 
6.948334       13.03388 
1 1 1 10  16 9  o 90.03906 8.961633 84.30022       16.19051  100.0369       
19.90089  53.49594       27.84337  97.87315 10.14643 69.35303 19.12412 
28.52013       21.64907 
1 1 1 10  16 10 o 163.4636 7.625746 274.6014       25.34865  258.1994       
35.11871  292.4412       36.62555  157.2295 11.05411 167.4687 10.81248 
-10.23920      15.46295 
1 1 1 10  16 11 o 77.95297 11.35044 64.60281       17.46449  58.29452       
21.33939  77.39925       30.39279  72.90618 14.89671 82.98952 18.48335 
-10.08334      23.73913 
1 1 1 10  16 12 o 115.5482 8.691169 138.8194       20.27217  124.4788       
24.59558  169.2007       35.79948  108.5446 11.30894 125.4268 14.29087 
-16.88225      18.22419 
1 1 1 10  16 13 o 112.0453 8.578996 131.0075       19.39855  136.4342       
22.93803  117.3799       36.34946  113.8379 10.01049 101.6157 18.26213 
12.22221       20.82583 
1 1 1 10  16 14 o 37.75098 14.78265 10.90064       16.49700  2.326118       
18.38115  46.41070       37.40619  34.58544 14.76980 63.08292 22.76640 
-28.49747      27.13772 
1 1 1 10  16 15 o 37.48959 14.29499 12.72194       15.13261  8.659240       
16.88806  29.27290       34.08664  36.08939 14.67611 52.92531 21.08316 
-16.83592      25.68828 
1 1 1 10  16 16 o 36.24474 15.10660 8.397971       18.48634  17.47512       
22.53223  -10.29405      32.33387  42.69016 17.09569 37.92909 17.58538 
4.761066       24.52566 
1 1 1 10  17 0  o 59.67041 12.15968 37.74518       14.25404  0.000000       
0.000000  37.74518       14.25404  ?        ?        59.67041 12.15968 
0.000000       12.15968 
1 1 1 10  17 1  o 188.9228 5.101235 363.3751       19.59798  0.000000       
0.000000  363.3751       19.59798  ?        ?        188.9228 5.101235 
0.000000       5.101235 
1 1 1 10  17 2  o 294.6495 4.208468 883.6688       25.21629  884.9166       
53.71202  883.3160       28.55922  294.3092 8.974623 294.5468 4.768049 
-0.2375488     10.16259 
1 1 1 10  17 3  o 76.65907 7.932303 60.65300       12.18669  20.61006       
25.40342  72.62315       13.88925  50.22473 18.65569 83.91244 8.246073 
-33.68771      20.39688 
1 1 1 10  17 4  o 381.8102 4.609035 1484.919       35.78566  1477.970       
53.37568  1490.593       48.23151  380.4892 6.898422 382.2582 6.204726 
-1.769012      9.278300 
1 1 1 10  17 5  o 65.35297 9.485714 44.70718       12.23799  15.82065       
19.37720  63.87489       15.78441  43.88385 16.29476 78.21906 10.16366 
-34.33520      19.20466 
1 1 1 10  17 6  o 113.3439 7.228516 131.9455       16.57405  143.5045       
20.34723  109.1529       28.57209  117.9982 8.537313 101.4982 14.23450 
16.50005       16.59840 
1 1 1 10  17 7  o 111.1750 7.177331 127.0473       16.13971  134.9301       
19.50237  109.9145       28.75149  114.3531 8.446415 101.6884 14.29897 
12.66473       16.60731 
1 1 1 10  17 8  o 164.0743 7.175998 275.8360       23.94276  317.5922       
33.60233  232.7731       34.12406  175.3151 9.460393 149.4733 11.31026 
25.84186       14.74520 
1 1 1 10  17 9  o 34.02212 13.85045 5.249291       15.06195  1.383866       
18.66868  12.45740       25.49328  35.19199 14.95320 45.38799 18.18141 
-10.19601      23.54064 
1 1 1 10  17 10 o 113.8631 7.835561 133.9843       18.03238  123.0154       
21.88303  157.1899       31.82899  108.5145 10.03021 121.7296 13.06222 
-13.21514      16.46896 
1 1 1 10  17 11 o 126.3003 7.636384 164.7473       19.52075  175.5661       
23.63054  141.5008       34.63887  130.0139 8.993096 114.3529 15.27788 
15.66096       17.72821 
1 1 1 10  17 12 o 163.2448 6.524436 273.7117       21.65876  261.8755       
25.75176  302.3248       40.03892  159.2880 7.950097 169.3251 11.69988 
-10.03709      14.14536 
1 1 1 10  17 13 o 69.50983 13.38040 53.24919       18.22689  53.44673       
21.41374  52.72969       34.72594  68.80119 15.65748 67.16766 22.02371 
1.633530       27.02223 
1 1 1 10  17 14 o 123.7573 8.674514 161.1684       21.69269  148.3600       
25.60534  193.7378       40.83068  117.6143 10.82738 131.0739 15.62664 
-13.45966      19.01115 
1 1 1 10  17 15 o 82.01016 9.337681 72.53978       15.29484  79.45841       
17.20552  46.47623       33.39446  85.47629 10.09328 60.11672 21.53209 
25.35957       23.78036 
1 1 1 10  18 0  o 205.7399 4.843552 430.8678       20.26441  0.000000       
0.000000  430.8678       20.26441  ?        ?        205.7399 4.843552 
0.000000       4.843552 
1 1 1 10  18 1  o 538.8850 6.143540 2958.836       67.32343  2995.557       
118.9321  2941.521       81.66753  541.0367 10.80988 537.0361 7.478156 
4.000549       13.14444 
1 1 1 10  18 2  o 267.6762 4.793483 729.6124       26.09230  733.2030       
48.00779  728.1072       31.08416  267.8566 8.813693 267.3152 5.718262 
0.5413818      10.50617 
1 1 1 10  18 3  o 42.01793 12.41199 18.44387       11.33993  2.116583       
24.38531  22.94895       12.80922  40.67310 17.17572 46.54354 13.02194 
-5.870445      21.55403 
1 1 1 10  18 4  o 265.9505 4.320149 720.3917       23.36421  764.2784       
37.10802  691.5666       30.07372  273.6072 6.669431 260.4129 5.679019 
13.19437       8.759712 
1 1 1 10  18 5  o 185.5966 4.702456 351.0719       17.74787  337.8152       
28.41856  359.5482       22.72421  181.6970 7.691354 187.6892 5.953854 
-5.992126      9.726525 
1 1 1 10  18 6  o 265.6058 4.700101 719.2611       25.38612  735.1874       
30.52517  683.5399       45.71546  268.3776 5.593200 258.0681 8.711188 
10.30954       10.35223 
1 1 1 10  18 7  o 86.47320 8.921384 77.66387       15.46254  86.17296       
19.02903  61.12557       26.52899  90.78623 10.50112 74.49231 17.76286 
16.29392       20.63474 
1 1 1 10  18 8  o 147.7346 7.676726 224.5683       22.98320  188.4598       
31.49383  265.7074       33.61618  134.2381 11.65275 159.9762 10.38963 
-25.73813      15.61189 
1 1 1 10  18 9  o 56.42106 14.16710 34.80191       16.23124  36.76085       
20.11698  31.14793       27.47490  57.91024 16.36042 55.83176 19.57668 
2.078480       25.51293 
1 1 1 10  18 10 f 194.0654 7.083352 386.7755       27.95364  350.6384       
38.09245  428.9447       41.14908  183.5150 10.24836 203.3894 9.949024 
-19.87440      14.28328 
1 1 1 10  18 11 o 144.5703 6.813643 214.6571       20.03133  227.7719       
24.43617  187.7909       34.97490  148.3954 8.128607 132.8661 13.11585 
15.52936       15.43048 
1 1 1 10  18 12 o 202.5134 7.354634 422.6844       30.28770  397.5435       
40.08092  456.1506       46.24360  194.9754 10.14398 208.4176 10.94939 
-13.44221      14.92614 
1 1 1 10  18 13 o 169.8660 6.262009 297.0753       21.63074  282.6929       
25.45550  334.4412       41.03028  165.2275 7.576136 177.3551 11.43749 
-12.12756      13.71911 
1 1 1 10  18 14 o 60.88701 16.54329 43.64455       21.01653  61.71822       
26.05102  9.955349       35.56698  71.77818 17.90664 47.43687 20.40881 
24.34130       27.15083 
1 1 1 10  18 15 o 35.37741 13.67297 10.96236       13.97133  -1.190312      
15.42555  66.45248       32.96192  29.73200 13.10266 70.13415 21.26452 
-40.40215      24.97718 
1 1 1 10  19 0  o 234.0576 4.687930 557.6656       22.31286  0.000000       
0.000000  557.6656       22.31286  ?        ?        234.0576 4.687930 
0.000000       4.687930 
1 1 1 10  19 1  o 200.0209 9.290333 408.9510       37.78836  408.9510       
37.78836  0.000000       0.000000  200.0209 9.290333 ?        ?        
0.000000       9.290333 
1 1 1 10  19 2  o 139.7119 4.974360 198.8212       14.13260  203.5549       
31.23101  197.6022       15.84807  140.4562 11.02289 139.2500 5.596671 
1.206161       12.36232 
1 1 1 10  19 3  o 230.6472 4.097027 541.6740       19.21624  558.2545       
41.32331  537.0992       21.70593  233.5666 8.700274 229.6241 4.648465 
3.942474       9.864228 
1 1 1 10  19 4  o 174.7416 4.719989 311.1550       16.77215  316.6689       
28.11864  308.1098       20.89651  175.9381 7.859283 173.7749 5.913374 
2.163254       9.835463 
1 1 1 10  19 5  o 323.7379 6.728689 1071.207       44.29711  1071.207       
44.29711  0.000000       0.000000  323.7379 6.728689 ?        ?        
0.000000       6.728689 
1 1 1 10  19 6  o 133.9760 8.021209 184.6920       21.75287  187.6111       
31.32060  181.9720       30.23454  134.1824 11.59228 132.2003 11.35681 
1.982101       16.22831 
1 1 1 10  19 7  o 160.4061 5.838965 262.9320       19.04619  275.9109       
23.41680  237.5631       32.73853  164.1351 7.015759 151.2179 10.71584 
12.91716       12.80820 
1 1 1 10  19 8  o 102.5571 8.779251 109.0771       18.13294  107.6705       
23.05531  111.3582       29.36062  101.2175 11.39965 101.9459 14.57771 
-0.7284622     18.50572 
1 1 1 10  19 9  o 218.0690 6.550796 487.4325       29.04955  441.5802       
38.20240  550.2932       44.73004  206.7930 9.084549 230.6689 9.535834 
-23.87590      13.17047 
1 1 1 10  19 10 o 54.15229 14.71977 32.20159       16.63448  44.05530       
20.66990  10.41326       28.02356  62.96920 16.08422 45.72729 18.78525 
17.24191       24.73030 
1 1 1 10  19 11 o 29.77342 13.40923 -7.354424      17.09265  -1.753467      
21.43810  -17.12764      28.31875  35.94153 15.65238 36.38916 16.72219 
-0.4476318     22.90478 
1 1 1 10  19 12 o 156.4483 6.777664 251.9304       21.56266  225.2630       
25.23400  324.0986       41.51154  147.2075 8.465205 174.9855 11.73376 
-27.77794      14.46862 
1 1 1 10  19 13 o 72.10541 12.55441 57.07216       17.73956  38.30536       
20.96642  104.3565       33.28036  57.79398 16.82191 95.09317 17.86625 
-37.29919      24.53934 
1 1 1 10  19 14 o 170.4889 7.572270 303.5337       26.25269  293.6527       
33.28305  319.8037       42.70898  165.8874 9.911725 170.9351 12.37033 
-5.047668      15.85142 
1 1 1 10  19 15 o 29.53721 12.70748 1.662133       13.78816  -0.3066648     
15.31651  10.07666       31.66462  29.92494 13.12559 43.81079 19.05121 
-13.88585      23.13503 
1 1 1 10  20 0  o 86.92784 6.830683 77.51696       11.97740  77.69226       
27.58214  77.47623       13.29648  85.33652 16.49109 86.81300 7.608601 
-1.476479      18.16169 
1 1 1 10  20 1  o 238.0167 4.937886 576.9782       23.90011  592.7822       
43.09465  569.9580       28.72196  240.8190 8.799971 236.4732 5.972837 
4.345764       10.63552 
1 1 1 10  20 2  o 72.00229 8.012027 53.62724       11.53220  35.49263       
26.61204  57.82006       12.79609  59.10352 19.27497 74.70927 8.578276 
-15.60574      21.09766 
1 1 1 10  20 3  o 277.0034 4.030627 781.3509       22.70436  769.6785       
46.45481  785.0140       26.02430  274.2519 8.329704 277.5875 4.610284 
-3.335602      9.520435 
1 1 1 10  20 4  o 209.9018 7.056573 450.3797       30.12045  450.3797       
30.12045  0.000000       0.000000  209.9018 7.056573 ?        ?        
0.000000       7.056573 
1 1 1 10  20 5  o 115.9572 5.880737 137.6486       13.82157  149.5446       
22.71294  130.6526       17.41785  120.2739 9.360186 112.6962 7.645586 
7.577736       12.08586 
1 1 1 10  20 6  o 324.3589 4.723256 1073.056       31.15436  1092.910       
37.15582  1026.052       57.17081  327.1438 5.585174 315.9282 8.898862 
11.21558       10.50637 
1 1 1 10  20 7  o 66.21563 15.70149 48.05012       20.82149  48.05012       
20.82149  0.000000       0.000000  66.21563 15.70149 ?        ?        
0.000000       15.70149 
1 1 1 10  20 8  o 29.62466 13.24490 -6.183125      16.34489  -3.311555      
21.58303  -10.04454      25.02800  35.67994 15.61710 36.15563 16.26020 
-0.4756927     22.54524 
1 1 1 10  20 9  o 149.6260 7.997179 231.1558       24.24487  254.3549       
35.06581  209.9081       33.55867  155.8883 11.13490 141.2955 11.78711 
14.59282       16.21487 
1 1 1 10  20 10 o 136.3862 7.176612 191.7620       19.83402  224.2111       
24.91056  135.5647       32.78234  147.1550 8.358970 112.0242 14.74911 
35.13080       16.95313 
1 1 1 10  20 11 o 135.9066 7.415707 190.8170       20.41738  157.6148       
24.69303  262.5779       36.30237  122.6728 9.985272 157.8993 11.38218 
-35.22653      15.14132 
1 1 1 10  20 12 o 64.28633 14.00240 45.89604       17.78692  49.34295       
21.91941  39.25005       30.43642  65.93652 16.41216 59.77539 20.62466 
6.161121       26.35784 
1 1 1 10  20 13 o 90.99304 9.976757 88.21685       18.15799  70.85232       
21.06573  138.4156       35.81718  79.95950 13.43178 110.4062 16.45589 
-30.44669      21.24168 
1 1 1 10  20 14 o 99.39260 10.98006 107.6928       21.82214  108.7281       
27.64290  105.9804       35.55019  97.66962 14.34532 92.34088 19.54146 
5.328743       24.24164 
1 1 1 10  20 15 o 63.33820 15.10376 48.77238       19.18009  35.85617       
23.37785  75.36980       33.54722  53.19543 18.08330 73.47895 21.24727 
-20.28352      27.90076 
1 1 1 10  21 0  o 383.3444 4.382249 1496.080       34.16156  1518.014       
72.15642  1489.743       38.78349  385.3045 9.209149 382.4597 4.986660 
2.844788       10.47259 
1 1 1 10  21 1  o 153.4214 5.325871 239.8452       16.61606  247.9756       
31.87461  236.8114       19.47096  155.2359 10.15314 152.3837 6.283441 
2.852280       11.94018 
1 1 1 10  21 2  o 108.1616 5.671074 119.6125       12.43009  108.2505       
26.51884  122.8116       14.07164  101.6075 13.14243 109.5272 6.345063 
-7.919617      14.59395 
1 1 1 10  21 3  o 92.10976 6.312793 87.01539       11.75305  133.3999       
25.81726  74.88950       13.20021  113.2578 11.36282 85.22474 7.699797 
28.03304       13.72591 
1 1 1 10  21 4  o 132.9300 8.864502 182.0942       23.82490  182.0942       
23.82490  0.000000       0.000000  132.9300 8.864502 ?        ?        
0.000000       8.864502 
1 1 1 10  21 5  o 75.28174 10.31320 59.47247       15.37320  81.38173       
20.06578  28.33646       23.92069  87.99488 11.48778 53.44792 18.29144 
34.54696       21.59968 
1 1 1 10  21 6  o 220.4686 4.937699 495.9983       22.13721  469.7075       
26.34751  559.1129       40.82282  214.3539 6.044452 233.2219 8.607603 
-18.86807      10.51790 
1 1 1 10  21 7  o 48.89501 17.09194 23.22661       20.93546  23.22661       
20.93546  0.000000       0.000000  48.89501 17.09194 ?        ?        
0.000000       17.09194 
1 1 1 10  21 8  o 56.47439 13.36410 34.79102       15.10860  37.57338       
18.63071  29.44635       25.82164  58.44854 15.44316 54.26500 18.98128 
4.183533       24.46998 
1 1 1 10  21 9  o 150.7628 8.112215 234.9301       24.77905  253.9215       
34.50265  214.7010       35.60928  155.7294 10.96508 142.5520 12.40770 
13.17738       16.55850 
1 1 1 10  21 10 o 156.2985 8.298822 252.9471       26.28232  185.3230       
36.27137  327.7042       38.13636  131.5857 13.75859 176.9683 10.64678 
-45.38257      17.39692 
1 1 1 10  21 11 o 99.01372 9.690579 102.9489       19.26164  116.6777       
24.06843  78.49343       32.12322  104.8268 11.47840 82.53379 19.45713 
22.29297       22.59056 
1 1 1 10  21 12 o 104.5161 8.630280 114.3369       18.17846  110.3470       
21.82139  123.3854       32.86135  101.8954 10.69045 105.2621 15.84291 
-3.366737      19.11239 
1 1 1 10  21 13 o 43.32652 15.43948 19.14953       17.14911  21.33434       
19.81343  12.62502       34.23943  45.73643 16.55953 48.05458 20.32581 
-2.318146      26.21749 
1 1 1 10  21 14 o 189.9039 11.97673 397.3424       46.01434  0.000000       
0.000000  397.3424       46.01434  ?        ?        189.9039 11.97673 
0.000000       11.97673 
1 1 1 10  21 15 o 71.22793 13.56379 59.93857       18.92886  52.06027       
23.23303  75.49361       32.64565  63.37816 17.46621 73.22141 20.89569 
-9.843243      27.23414 
1 1 1 10  22 0  o 76.97084 8.134396 61.20195       12.53929  55.97938       
26.48725  62.71049       14.23555  71.94574 18.11557 77.76014 9.179556 
-5.814400      20.30857 
1 1 1 10  22 1  o 272.7576 4.002070 757.4723       22.19796  803.5837       
48.58795  745.3091       24.95448  280.2631 8.525331 270.5064 4.536487 
9.756683       9.657172 
1 1 1 10  22 2  o 205.6568 8.377439 432.9664       35.03529  432.9664       
35.03529  0.000000       0.000000  205.6568 8.377439 ?        ?        
0.000000       8.377439 
1 1 1 10  22 3  f 46.12286 10.76802 22.77310       9.916059  19.06792       
20.28707  23.93619       11.36637  46.33905 16.75957 47.24194 11.85161 
-0.9028854     20.52666 
1 1 1 10  22 4  o 160.4139 4.746355 262.3840       15.48295  259.7587       
26.10456  263.8087       19.23062  158.9777 8.101610 160.7267 5.883746 
-1.748993      10.01272 
1 1 1 10  22 5  o 95.93587 8.511178 95.25993       16.43194  102.3050       
22.22094  86.75877       24.40950  98.82051 11.25866 90.23174 13.73652 
8.588776       17.76090 
1 1 1 10  22 6  o 200.2319 5.122238 409.3361       20.85665  428.5665       
25.74139  372.5852       35.58540  204.6886 6.184249 190.1618 9.202313 
14.52672       11.08727 
1 1 1 10  22 7  o 188.6111 7.195840 365.0097       27.59944  365.0097       
27.59944  0.000000       0.000000  188.6111 7.195840 ?        ?        
0.000000       7.195840 
1 1 1 10  22 8  o 115.8629 7.415164 138.5273       17.37929  119.8191       
21.25468  176.2681       30.18872  107.0968 9.870563 129.4758 11.58837 
-22.37897      15.22229 
1 1 1 10  22 9  o 43.69538 15.40393 18.43740       17.02613  19.92243       
21.16570  15.71443       28.66060  46.59606 17.07780 48.27430 19.29895 
-1.678242      25.77015 
1 1 1 10  22 10 o 60.53655 14.24744 40.50921       17.24726  26.62078       
21.29023  67.02531       29.41770  50.68950 17.25689 76.56087 18.98784 
-25.87137      25.65811 
1 1 1 10  22 11 o 65.14353 14.26931 47.08819       18.37980  62.71129       
23.10825  20.18480       30.32403  74.88090 15.67829 50.59710 19.97058 
24.28380       25.38962 
1 1 1 10  22 12 o 70.10875 12.98625 54.19966       17.83248  62.17103       
21.15983  34.66175       33.12720  74.57011 14.47591 57.46210 21.31177 
17.10802       25.76322 
1 1 1 10  22 13 o 56.81645 15.74085 37.63301       18.81317  37.63301       
18.81317  0.000000       0.000000  56.81645 15.74085 ?        ?        
0.000000       15.74085 
1 1 1 10  22 14 o 40.81799 15.25502 16.95361       17.03751  14.16517       
20.61176  22.96857       30.27267  40.76416 16.34154 48.45338 19.66990 
-7.689217      25.57246 
1 1 1 10  22 15 o 29.32764 13.52106 -8.101553      18.72208  -20.65573      
22.61172  19.26894       33.38725  28.86743 13.78056 46.12939 19.80794 
-17.26196      24.13003 
1 1 1 10  23 0  o 166.1617 4.942157 281.3037       16.69932  286.7567       
33.56356  279.5097       19.25129  166.9568 9.930610 165.5735 5.717650 
1.383301       11.45899 
1 1 1 10  23 1  o 71.02423 7.477662 52.12330       10.63775  12.73725       
24.38316  61.38215       11.82217  45.38706 17.90983 77.11348 7.639549 
-31.72642      19.47113 
1 1 1 10  23 2  o 111.2935 6.555606 126.9514       14.77106  189.8116       
27.92632  102.5341       17.40505  135.5065 10.20950 99.65192 8.675465 
35.85458       13.39767 
1 1 1 10  23 3  o 204.3688 4.748477 425.8286       19.73424  445.9248       
36.37718  417.4481       23.49139  208.4937 8.579947 202.2247 5.712460 
6.269028       10.30765 
1 1 1 10  23 4  o 175.8604 4.548558 315.3414       16.26647  315.3415       
27.67296  315.3413       20.10693  175.3900 7.758885 175.7294 5.626649 
-0.3394012     9.584335 
1 1 1 10  23 5  o 51.92046 14.10227 29.16984       15.27501  9.073290       
20.85836  52.41229       22.43161  40.79853 16.40942 69.11538 16.23600 
-28.31685      23.08413 
1 1 1 10  23 6  o 80.40105 9.039520 67.43147       14.52322  64.70798       
18.10030  72.35406       24.33433  78.06352 11.76763 81.59954 15.22495 
-3.536018      19.24256 
1 1 1 10  23 7  o 142.4128 8.482937 209.7156       24.45536  209.7156       
24.45536  0.000000       0.000000  142.4128 8.482937 ?        ?        
0.000000       8.482937 
1 1 1 10  23 8  o 119.6384 9.091095 148.8748       21.95216  89.86947       
31.33387  205.7536       30.76406  89.73730 17.79929 140.1238 10.88179 
-50.38647      20.86212 
1 1 1 10  23 9  o 45.92894 15.24844 21.82834       16.62750  15.71958       
19.93940  35.77407       30.12702  43.40549 16.44279 58.52611 20.50099 
-15.12062      26.28033 
1 1 1 10  23 10 o 31.11349 13.84053 -5.085252      17.60922  -2.699131      
21.87687  -9.476016      29.67625  35.82772 15.70136 39.43782 17.72395 
-3.610096      23.67849 
1 1 1 10  23 11 o 60.91245 14.50267 41.48731       17.70587  44.53195       
22.12829  36.06912       29.51938  62.52135 16.97016 57.85729 20.29170 
4.664063       26.45259 
1 1 1 10  23 12 o 120.3082 7.758439 150.9770       18.87989  142.2093       
22.19940  173.8955       35.89155  116.0241 9.492064 125.5442 14.31460 
-9.520111      17.17577 
1 1 1 10  23 13 o 46.16552 16.11567 23.29467       18.60910  23.29467       
18.60910  0.000000       0.000000  46.16552 16.11567 ?        ?        
0.000000       16.11567 
1 1 1 10  23 14 o 33.91272 14.08534 6.706984       15.99148  -3.618301      
18.49101  37.34225       31.85081  31.14166 13.99353 54.45425 20.74486 
-23.31260      25.02335 
1 1 1 10  24 0  o 61.44630 9.338224 39.56324       11.30110  33.47673       
25.46256  41.05632       12.61129  57.41359 18.86044 62.43600 10.29147 
-5.022404      21.48559 
1 1 1 10  24 1  o 59.63972 8.482135 37.15155       9.997209  0.2516502      
23.21242  45.55474       11.07720  38.81487 16.58741 66.16819 8.423456 
-27.35332      18.60368 
1 1 1 10  24 2  o 85.33351 7.906604 75.20793       13.56434  111.7607       
25.39023  60.60888       16.04608  103.2257 12.34022 75.98599 10.67924 
27.23973       16.31953 
1 1 1 10  24 3  o 118.8468 4.896227 144.0685       11.83315  132.7829       
24.89353  147.3630       13.44988  112.8738 10.98448 120.1480 5.504913 
-7.274162      12.28669 
1 1 1 10  24 4  o 84.17603 6.942128 73.03732       11.77717  67.10704       
21.62806  75.53690       14.04150  79.03780 13.96732 85.39205 8.186543 
-6.354256      16.18968 
1 1 1 10  24 5  o 59.26108 12.89145 38.01343       15.09340  16.35439       
20.28582  64.87279       22.59024  44.37864 16.63403 77.30426 14.91066 
-32.92562      22.33872 
1 1 1 10  24 6  o 50.15891 14.18472 27.24261       15.11440  42.97710       
19.97396  6.162415       23.11933  62.45484 15.73437 40.86322 16.95108 
21.59162       23.12811 
1 1 1 10  24 7  o 118.6179 9.196268 146.3205       22.00925  146.3205       
22.00925  0.000000       0.000000  118.6179 9.196268 ?        ?        
0.000000       9.196268 
1 1 1 10  24 8  o 96.20314 11.25057 97.95837       21.59406  64.79396       
31.87944  126.0762       29.35389  75.08472 20.36415 108.3855 13.61883 
-33.30075      24.49839 
1 1 1 10  24 9  o 59.86030 14.46353 39.71708       17.40963  38.72026       
21.46088  41.63569       29.77367  58.86856 16.98591 61.49150 20.40410 
-2.622944      26.54898 
1 1 1 10  24 10 o 147.0399 7.129803 222.8049       21.31887  229.0500       
26.48360  211.3083       35.93290  148.3177 8.820537 140.6777 12.69761 
7.639999       15.46063 
1 1 1 10  24 11 o 90.00251 10.44456 86.19035       18.76058  100.6468       
23.39527  60.14827       31.40041  96.61756 12.17803 71.16174 20.55011 
25.45582       23.88747 
1 1 1 10  24 12 o 112.2008 8.301234 132.1784       18.80599  135.8632       
22.60987  123.9064       33.87643  113.0016 9.940395 103.9577 16.58182 
9.043861       19.33309 
1 1 1 10  24 13 o 74.44049 14.44800 64.16173       21.08221  64.16173       
21.08221  0.000000       0.000000  74.44049 14.44800 ?        ?        
0.000000       14.44800 
1 1 1 10  24 14 o 69.99370 10.92529 55.08892       15.04248  35.60294       
17.04595  123.6739       31.97973  53.88247 15.00306 100.4596 16.20571 
-46.57712      22.08431 
1 1 1 10  25 0  o 219.2027 3.868550 489.3256       17.24430  586.1898       
41.08139  468.6079       18.99915  239.2112 8.445244 214.4668 4.356349 
24.74445       9.502627 
1 1 1 10  25 1  f 231.3015 3.899213 544.9386       18.34031  555.1664       
40.21295  542.2524       20.60851  232.6910 8.498355 230.6757 4.393326 
2.015381       9.566784 
1 1 1 10  25 2  o 157.7742 5.088319 253.9495       16.32533  269.8054       
29.19928  246.7392       19.69042  161.8303 8.907096 155.3886 6.231382 
6.441681       10.87044 
1 1 1 10  25 3  o 241.2510 4.746037 593.6966       23.28369  602.0248       
41.51553  589.8749       28.12303  242.0955 8.432812 240.2908 5.755374 
1.804733       10.20963 
1 1 1 10  25 4  o 24.32965 10.67437 -2.316766      10.13616  -18.28332      
17.99518  5.103151       12.26734  27.14883 12.76020 31.37745 12.59694 
-4.228621      17.93057 
1 1 1 10  25 5  o 64.39719 12.16696 44.57333       15.34921  44.68814       
21.61271  44.45649       21.80266  63.62328 16.54840 63.45137 16.67797 
0.1719093      23.49478 
1 1 1 10  25 6  o 210.9014 5.429793 454.8278       23.28703  457.2132       
30.02959  451.2294       36.88243  211.0593 6.996704 209.1489 8.671865 
1.910385       11.14249 
1 1 1 10  25 7  o 34.58210 14.04296 5.911363       15.43485  9.707598       
18.59635  -2.494615      27.67229  39.19669 15.58563 40.49786 17.70577 
-1.301178      23.58826 
1 1 1 10  25 8  o 195.3963 9.650630 396.7896       38.34629  0.000000       
0.000000  396.7896       38.34629  ?        ?        195.3963 9.650630 
0.000000       9.650630 
1 1 1 10  25 9  o 66.05474 14.26656 48.26659       18.60309  46.91351       
25.12983  49.90714       27.67084  64.23758 18.33368 66.05639 19.35348 
-1.818810      26.65860 
1 1 1 10  25 10 o 69.71514 13.39350 53.43632       18.29769  31.86426       
22.54836  95.03473       31.31176  54.02402 17.74843 91.60047 17.44678 
-37.57645      24.88768 
1 1 1 10  25 11 f 111.6161 8.170333 130.2061       18.41576  131.9938       
22.34534  126.4210       32.51477  111.6653 9.944579 106.3951 15.48231 
5.270218       18.40100 
1 1 1 10  25 12 o 40.45823 14.89846 15.83251       16.13549  27.67236       
19.23095  -12.32496      29.65680  49.56148 16.39615 37.45024 17.17390 
12.11124       23.74398 
1 1 1 10  25 13 o 80.30418 13.78953 74.37204       21.70728  74.37204       
21.70728  0.000000       0.000000  80.30418 13.78953 ?        ?        
0.000000       13.78953 
1 1 1 10  25 14 o 81.29482 9.331968 72.61195       15.14762  68.10923       
16.98935  90.06750       33.45078  77.56155 11.08705 80.23461 20.44346 
-2.673065      23.25635 
1 1 1 10  26 0  o 208.1353 4.582803 441.5553       19.39673  496.6941       
38.19369  422.3918       22.51651  220.0800 8.534138 203.4659 5.441996 
16.61411       10.12160 
1 1 1 10  26 1  o 88.00264 6.723244 79.65655       11.94063  51.55097       
21.45534  92.26778       14.37203  68.81847 15.68092 94.62180 7.531576 
-25.80333      17.39586 
1 1 1 10  26 2  o 68.78905 7.490635 49.05563       10.30889  81.10863       
23.09372  41.07904       11.52041  87.26510 13.44553 62.51307 9.349598 
24.75203       16.37673 
1 1 1 10  26 3  o 191.6598 4.062588 374.4573       15.83380  397.6803       
33.11203  367.5728       18.02867  196.7178 8.277338 189.8112 4.670790 
6.906601       9.504241 
1 1 1 10  26 4  o 69.02318 8.084154 49.62586       11.13207  68.52982       
21.00968  42.24710       13.12607  79.89382 13.40659 63.04311 10.61592 
16.85071       17.10071 
1 1 1 10  26 5  o 118.5636 7.247158 144.8606       17.38922  147.2024       
24.91512  142.6365       24.28127  118.6888 10.42869 116.8507 10.32476 
1.838112       14.67509 
1 1 1 10  26 6  o 99.23450 8.150556 102.1612       16.30225  94.71020       
21.10970  113.1712       25.66060  94.68712 11.17886 103.1666 12.48555 
-8.479507      16.75875 
1 1 1 10  26 7  o 69.55912 11.34490 51.83974       15.49423  52.87537       
19.85387  50.22638       24.78032  69.26992 14.55694 66.67582 17.90008 
2.594101       23.07201 
1 1 1 10  26 8  o 28.55421 12.92417 -7.743527      16.10892  -21.74066      
21.06960  11.95073       24.99232  28.94311 13.66591 44.26380 17.90609 
-15.32070      22.52521 
1 1 1 10  26 9  o 36.33765 14.90292 6.257506       17.60057  15.40838       
22.81542  -7.192465      27.66036  44.58209 17.40477 38.58170 17.24117 
6.000397       24.49866 
1 1 1 10  26 10 o 185.1606 6.143331 352.6352       23.13151  314.0633       
27.94064  436.6640       41.23963  174.0930 7.892302 204.1634 9.933118 
-30.07036      12.68681 
1 1 1 10  26 11 o 42.27850 15.38719 17.40987       17.13943  6.140826       
21.22846  38.51037       29.04833  38.45121 16.11992 58.11189 20.14327 
-19.66069      25.79929 
1 1 1 10  26 12 o 47.43677 14.89513 25.64618       16.00383  22.39319       
18.98764  33.62607       29.73914  45.65340 16.24845 54.44044 20.19227 
-8.787045      25.91794 
1 1 1 10  26 13 o 68.52769 14.48832 55.83831       19.55866  55.83831       
19.55866  0.000000       0.000000  68.52769 14.48832 ?        ?        
0.000000       14.48832 
1 1 1 10  26 14 o 70.80272 13.56665 60.33485       18.82215  51.88900       
22.91674  77.84261       32.99487  62.29942 17.41331 72.46796 21.10538 
-10.16854      27.36165 
1 1 1 10  27 0  o 162.9936 4.009249 270.6929       13.28878  316.0439       
32.01067  261.2498       14.60691  175.1481 9.018088 160.0828 4.487064 
15.06525       10.07272 
1 1 1 10  27 1  o 139.6707 5.144447 199.0982       14.61152  155.2312       
27.40541  216.5204       17.27103  121.9968 11.17083 145.5753 5.834172 
-23.57852      12.60258 
1 1 1 10  27 2  o 28.63993 11.12127 5.442043       9.277015  15.64566       
21.30294  3.054148       10.30552  44.60061 16.97169 27.93921 11.42472 
16.66140       20.45880 
1 1 1 10  27 3  o 114.3381 6.208408 134.1776       14.38108  104.4310       
24.76287  149.3161       17.66542  99.31084 12.54137 120.4368 7.246690 
-21.12599      14.48449 
1 1 1 10  27 4  o 49.52642 10.94451 26.44763       10.72908  13.95931       
20.68789  31.04233       12.54852  43.10948 16.64457 53.56701 11.83521 
-10.45752      20.42336 
1 1 1 10  27 5  o 62.31306 11.88375 41.85455       14.50901  17.81985       
19.89069  69.18466       21.21051  44.80169 16.53426 80.04237 13.51215 
-35.24068      21.35322 
1 1 1 10  27 6  o 157.7347 5.745254 254.8472       18.42841  241.6049       
23.20505  277.4611       30.32409  153.1991 7.448606 163.4184 9.161995 
-10.21933      11.80779 
1 1 1 10  27 7  o 59.14519 15.65170 39.05363       19.11791  40.93846       
31.60699  37.96620       24.00755  61.38155 21.02572 58.49345 18.22333 
2.888092       27.82392 
1 1 1 10  27 8  o 133.9720 7.065510 185.4184       19.18097  209.8675       
24.98200  150.3075       29.93756  141.9929 8.693722 118.5109 12.61643 
23.48203       15.32172 
1 1 1 10  27 9  o 97.28791 9.983412 99.94500       19.47110  90.36383       
25.89624  112.4066       29.53344  90.61613 14.54539 101.1352 14.79800 
-10.51907      20.74968 
1 1 1 10  27 10 o 72.00129 16.16625 59.20242       23.09045  -13.59691      
33.75660  123.2167       31.65435  40.43923 18.46102 105.2459 15.23334 
-64.80667      23.93457 
1 1 1 10  27 11 o 36.77273 14.85333 8.721241       17.16907  -4.210083      
21.72622  30.22659       28.01792  34.41103 15.33583 53.10302 19.61845 
-18.69199      24.90123 
1 1 1 10  27 12 o 68.85327 11.77077 52.95451       15.88877  54.85637       
18.93374  48.42639       29.21499  68.90849 13.98953 61.65739 20.19991 
7.251091       24.57119 
1 1 1 10  27 13 o 32.57865 13.98099 3.685935       16.61568  3.685935       
16.61568  0.000000       0.000000  32.57865 13.98099 ?        ?        
0.000000       13.98099 
1 1 1 10  27 14 o 31.61093 14.02385 0.9160531      17.96098  -4.612633      
21.55161  13.48721       32.49798  32.02973 14.67050 42.73772 18.91663 
-10.70800      23.93872 
1 1 1 10  28 0  o 134.4775 4.136613 184.3315       11.31217  210.6526       
27.36418  178.9062       12.42341  142.7051 9.483549 132.4437 4.612730 
10.26132       10.54585 
1 1 1 10  28 1  o 187.0536 4.630246 356.9546       17.61252  365.0071       
33.95119  353.9897       20.60137  188.3114 8.865988 186.1561 5.442111 
2.155273       10.40300 
1 1 1 10  28 2  o 32.01634 11.33048 9.342429       9.220493  7.861507       
21.59331  9.672667       10.19686  40.61983 16.56543 33.04392 11.89157 
7.575909       20.39173 
1 1 1 10  28 3  o 78.30585 7.779563 63.63684       12.22401  58.30313       
21.27087  66.26699       14.93691  73.06718 14.82249 79.55933 9.415070 
-6.492149      17.55989 
1 1 1 10  28 4  o 124.3311 5.258048 158.0417       13.29401  134.0595       
24.29103  168.2961       15.88389  113.0738 10.69094 128.1806 6.093726 
-15.10688      12.30568 
1 1 1 10  28 5  o 115.5930 7.768597 138.2491       18.15497  137.9436       
26.75067  138.5099       24.71947  114.2405 11.67920 114.8202 10.71056 
-0.5796814     15.84676 
1 1 1 10  28 6  o 230.8601 5.994532 546.6129       28.14204  530.3698       
39.64034  563.1183       39.95929  226.3685 8.611322 233.3424 8.421173 
-6.973907      12.04454 
1 1 1 10  28 7  o 117.8941 9.294063 145.3685       22.10105  143.2766       
34.51371  146.8226       28.77447  114.4578 15.20468 117.3117 12.24222 
-2.853851      19.52061 
1 1 1 10  28 8  o 36.32305 14.33084 8.973816       15.60935  4.148481       
19.94257  16.60555       25.08008  37.05353 15.58363 46.30168 18.19791 
-9.248150      23.95857 
1 1 1 10  28 9  o 102.2654 9.971255 110.5573       20.47244  104.4785       
28.25311  117.2776       29.70634  97.25950 14.74765 103.2424 14.55321 
-5.982887      20.71929 
1 1 1 10  28 10 o 144.5465 8.527827 218.8158       24.95569  172.6209       
35.93533  261.8479       34.68332  124.9832 14.40250 156.7245 10.95143 
-31.74133      18.09325 
1 1 1 10  28 11 o 38.70443 14.89547 12.99694       16.52651  15.66440       
19.86968  7.009430       29.76906  42.03438 16.28892 43.36606 18.66436 
-1.331684      24.77271 
1 1 1 10  28 12 o 52.44127 14.55173 32.68139       16.06473  42.68805       
19.06349  8.165995       29.83851  59.40746 15.58559 42.65142 18.52029 
16.75604       24.20562 
1 1 1 10  28 13 o 74.51813 12.10535 64.29375       17.71430  64.29375       
17.71430  0.000000       0.000000  74.51813 12.10535 ?        ?        
0.000000       12.10535 
1 1 1 10  29 0  f 190.4805 3.764077 369.7523       14.58010  433.2798       
36.10417  357.3733       15.93745  205.1988 8.652291 187.2144 4.186280 
17.98441       9.611820 
1 1 1 10  29 1  o 74.92378 5.981447 57.78769       9.037374  96.88973       
21.44823  49.34681       9.965186  95.97906 11.19975 68.99224 7.209349 
26.98682       13.31950 
1 1 1 10  29 2  o 227.7415 3.926740 528.8595       18.18552  525.0397       
39.27164  529.9022       20.51797  225.7203 8.555730 227.8781 4.427722 
-2.157852      9.633548 
1 1 1 10  29 3  o 177.3582 4.955264 321.3978       17.87185  329.9975       
32.84346  317.7803       21.30172  178.4752 9.079352 176.1688 5.946128 
2.306427       10.85316 
1 1 1 10  29 4  o 97.94854 6.274058 98.77210       12.43108  97.01882       
23.39802  99.46162       14.67328  95.40646 12.34990 98.05268 7.413731 
-2.646217      14.40429 
1 1 1 10  29 5  o 187.2729 6.221116 359.8748       23.69161  373.4027       
35.65716  349.1823       31.70073  189.7185 9.242418 183.7507 8.483770 
5.967850       12.54578 
1 1 1 10  29 6  o 50.81327 13.75245 28.47700       14.55714  27.08950       
18.77087  30.57067       23.05804  50.19157 16.17384 53.50201 17.96029 
-3.310440      24.16951 
1 1 1 10  29 7  o 63.48037 15.29801 45.25887       19.51559  28.75248       
32.81388  54.29274       24.27550  55.30205 21.05894 68.94096 17.33381 
-13.63892      27.27526 
1 1 1 10  29 8  o 112.5004 10.10386 133.5953       22.86846  109.7357       
36.36526  149.2029       29.41194  97.46911 19.02997 117.8518 12.46161 
-20.38267      22.74712 
1 1 1 10  29 9  o 35.06231 15.04994 1.490681       19.26073  23.93439       
27.24463  -20.93377      27.23295  50.42013 19.19147 34.00626 15.89121 
16.41387       24.91672 
1 1 1 10  29 10 f 71.59795 12.92541 57.03527       18.12650  48.33736       
22.67697  72.42712       30.16635  64.05734 17.09175 77.37592 19.25035 
-13.31857      25.74304 
1 1 1 10  29 11 o 27.83970 12.63555 -6.414480      15.52490  -22.93834      
19.09252  25.83303       26.67199  26.12655 12.52339 49.56728 18.95962 
-23.44073      22.72229 
1 1 1 10  29 12 o 39.52103 14.56132 16.46860       15.41648  22.94108       
18.47700  1.638907       27.96802  44.71438 16.01629 39.00508 17.39033 
5.709297       23.64202 
1 1 1 10  29 13 o 29.59893 12.80648 2.433045       14.16512  2.912931       
15.56779  0.1242356      34.14693  30.90759 13.39909 39.92471 18.35267 
-9.017124      22.72347 
1 1 1 10  30 0  o 130.1515 4.123353 172.7530       10.91317  193.7668       
27.87154  168.9480       11.86014  136.4619 10.11583 128.6699 4.532745 
7.791992       11.08494 
1 1 1 10  30 1  o 65.72954 6.702590 44.74678       8.833545  34.84406       
22.35903  46.57833       9.615812  56.73835 17.57179 66.98912 7.170128 
-10.25077      18.97837 
1 1 1 10  30 2  o 24.71793 10.44334 0.7313412      9.022568  26.71635       
21.67810  -4.713122      9.922869  51.13961 17.41335 22.69447 10.21934 
28.44514       20.19059 
1 1 1 10  30 3  f 112.3562 6.223277 129.8201       14.16346  97.30439       
25.99092  143.5544       16.89191  94.99947 13.86218 117.9787 7.073473 
-22.97921      15.56259 
1 1 1 10  30 4  o 167.7610 4.659132 287.6224       15.89453  229.5515       
26.82690  319.0342       19.73049  148.6148 8.918053 176.5083 5.496946 
-27.89342      10.47607 
1 1 1 10  30 5  o 171.1649 8.529411 303.4836       29.68829  0.000000       
0.000000  303.4836       29.68829  ?        ?        171.1649 8.529411 
0.000000       8.529411 
1 1 1 10  30 6  o 58.02235 13.22143 37.20871       15.25229  23.24378       
20.03093  56.47668       23.52880  47.80507 16.71820 70.55473 16.66486 
-22.74966      23.60542 
1 1 1 10  30 7  o 193.1098 5.646686 382.7885       22.17427  386.6510       
28.44491  376.8053       35.40306  193.4976 7.228988 190.1345 9.156476 
3.363068       11.66616 
1 1 1 10  30 8  o 167.3769 9.029544 293.1484       30.61984  293.1484       
30.61984  0.000000       0.000000  167.3769 9.029544 ?        ?        
0.000000       9.029544 
1 1 1 10  30 9  o 109.3582 9.240959 126.2626       20.35798  97.63920       
27.02924  163.7876       30.94809  93.44389 14.71068 122.8329 12.56685 
-29.38900      19.34760 
1 1 1 10  30 10 o 47.48715 15.76762 25.20220       17.77884  4.445876       
22.41350  60.42268       29.19659  38.10089 16.29132 69.81947 19.70431 
-31.71858      25.56691 
1 1 1 10  30 11 o 105.4025 9.986234 120.4333       21.14912  60.67046       
27.82285  202.2230       32.54884  68.79899 19.17170 135.0575 11.97548 
-66.25855      22.60457 
1 1 1 10  30 12 f 48.93262 14.45885 29.25942       15.38645  34.23230       
18.23554  16.96938       28.66761  52.18137 15.81536 44.06694 18.61664 
8.114429       24.42754 
1 1 1 10  30 13 o 30.59739 12.96045 5.122097       13.95299  15.44408       
15.58588  -36.54062      31.31291  37.61804 14.46854 30.69017 15.01573 
6.927866       20.85212 
1 1 1 10  31 0  o 175.7681 3.766815 314.9896       13.46375  301.1553       
31.83243  318.0036       14.85819  170.4646 9.217244 176.5569 4.138375 
-6.092300      10.10365 
1 1 1 10  31 1  o 153.8714 3.990870 241.5222       12.48754  255.0064       
29.91373  238.6764       13.74221  156.6718 9.433179 152.9057 4.419586 
3.766083       10.41718 
1 1 1 10  31 2  o 211.9990 4.644621 459.1371       20.02329  457.8474       
37.30959  459.6588       23.73029  210.4525 8.717964 211.9168 5.506635 
-1.464325      10.31145 
1 1 1 10  31 3  o 398.1584 4.473030 1619.520       36.21672  1615.775       
75.94762  1620.622       41.20326  394.4734 9.467710 398.0168 5.090714 
-3.543365      10.74955 
1 1 1 10  31 4  o 188.2929 4.725864 362.5605       18.09534  348.6913       
35.49847  367.4295       21.03320  182.8043 9.582668 189.3714 5.461848 
-6.567032      11.02993 
1 1 1 10  31 5  o 113.7311 7.588306 134.1974       17.44918  141.1227       
25.83462  128.3879       23.66200  115.3409 11.15382 110.1527 10.69837 
5.188171       15.45519 
1 1 1 10  31 6  o 53.87313 17.58656 31.93664       22.15199  0.000000       
0.000000  31.93664       22.15199  ?        ?        53.87313 17.58656 
0.000000       17.58656 
1 1 1 10  31 7  o 32.66262 13.92843 1.557655       16.30373  8.310777       
21.99841  -6.672090      24.28467  40.27383 16.60585 35.97562 16.11009 
4.298214       23.13632 
1 1 1 10  31 8  o 46.64183 17.10839 21.40810       21.24771  21.40810       
21.24771  0.000000       0.000000  46.64183 17.10839 ?        ?        
0.000000       17.10839 
1 1 1 10  31 9  o 56.91437 15.84639 37.55692       19.01669  57.83288       
25.94162  14.00501       27.95886  69.54105 18.15075 45.53794 18.74205 
24.00310       26.09050 
1 1 1 10  31 10 o 135.3056 7.198482 191.5977       19.73527  160.7994       
23.28980  270.0325       37.16693  122.6855 9.406793 157.1723 11.71273 
-34.48678      15.02251 
1 1 1 10  31 11 o 70.67684 11.17975 56.01178       15.53342  44.16086       
18.14112  88.57510       30.07130  60.52992 14.85004 83.51262 18.21960 
-22.98270      23.50485 
1 1 1 10  31 12 o 35.57176 13.93738 12.11710       14.67082  8.654915       
16.86746  22.87335       29.73072  34.72496 14.44794 45.80566 19.13023 
-11.08070      23.97308 
1 1 1 10  31 13 o 32.57335 14.30737 4.127274       18.25534  28.64270       
22.16687  -47.54450      32.18187  45.82714 17.34249 29.18242 14.45689 
16.64472       22.57794 
1 1 1 10  32 0  o 133.8994 4.230233 182.9908       11.51846  172.1156       
27.34842  185.3360       12.69980  128.1816 10.58667 134.7033 4.636254 
-6.521774      11.55735 
1 1 1 10  32 1  o 104.8328 4.926423 112.3527       10.50220  131.1144       
23.71201  107.7742       11.71379  111.7019 10.56438 102.4354 5.645154 
9.266525       11.97806 
1 1 1 10  32 2  o 99.08105 6.626250 101.3067       13.27391  52.51120       
24.70793  121.1038       15.73793  68.09235 17.68545 108.2350 7.191293 
-40.14264      19.09162 
1 1 1 10  32 3  o 101.5928 5.672170 106.1380       11.67149  107.1603       
27.25783  105.9085       12.91538  99.40714 13.86126 101.3504 6.297731 
-1.943253      15.22484 
1 1 1 10  32 4  o 150.5455 5.112254 232.1306       15.65063  205.8844       
30.48567  241.5235       18.23735  139.6442 10.81994 153.3891 5.846765 
-13.74492      12.29861 
1 1 1 10  32 5  o 219.9612 8.275627 502.1196       37.01675  0.000000       
0.000000  502.1196       37.01675  ?        ?        219.9612 8.275627 
0.000000       8.275627 
1 1 1 10  32 6  o 120.2067 8.993501 151.5111       21.82481  119.7142       
35.23806  171.2988       27.79832  102.5229 17.53208 126.9951 10.86887 
-24.47228      20.62780 
1 1 1 10  32 7  o 128.4343 7.318482 171.3318       19.03494  163.9771       
24.27876  183.0645       30.66491  124.6726 9.651639 130.7128 11.65884 
-6.040115      15.13548 
1 1 1 10  32 8  o 118.3413 10.33756 149.2738       24.62775  149.2738       
24.62775  0.000000       0.000000  118.3413 10.33756 ?        ?        
0.000000       10.33756 
1 1 1 10  32 9  o 36.93111 14.80982 9.627843       16.93499  -1.037978      
20.81702  30.49993       29.12087  34.70220 15.25949 53.01506 19.91831 
-18.31286      25.09165 
1 1 1 10  32 10 o 70.07978 12.14027 55.36584       16.67431  49.10954       
19.61932  71.63992       31.64268  64.18893 15.25520 73.94450 20.38593 
-9.755562      25.46188 
1 1 1 10  32 11 o 83.53773 9.536876 76.66325       15.91057  68.94792       
18.47539  98.80891       31.30117  77.47353 12.12464 87.24055 18.23110 
-9.767021      21.89475 
1 1 1 10  32 12 o 57.74577 12.49720 40.23031       14.24930  25.97858       
15.97342  95.76366       31.53123  45.19207 14.94273 82.06907 19.22964 
-36.87700      24.35291 
1 1 1 10  33 0  o 84.86765 5.933901 74.18665       10.17635  77.20718       
24.45820  73.55428       11.19102  83.92834 14.87518 84.38073 6.573788 
-0.4523926     16.26301 
1 1 1 10  33 1  f 100.5504 4.743535 103.3714       9.699234  131.8816       
25.43800  98.52145       10.49183  111.5975 11.36800 97.95819 5.286523 
13.63927       12.53709 
1 1 1 10  33 2  f 55.35953 10.57670 33.06463       11.47262  31.95467       
22.93071  33.43525       13.25024  54.32187 17.90079 55.28099 12.12080 
-0.9591141     21.61833 
1 1 1 10  33 3  o 178.1070 4.666613 324.5368       16.90185  329.5117       
35.16353  323.0421       19.27444  177.3745 9.786642 177.5277 5.339053 
-0.1532593     11.14827 
1 1 1 10  33 4  o 48.64980 11.61334 26.00178       11.33002  36.88741       
20.29619  21.07388       13.65584  57.09324 16.53158 44.17440 13.74100 
12.91884       21.49670 
1 1 1 10  33 5  o 36.02350 13.94222 9.957067       14.54286  2.021751       
20.85142  17.47329       20.29334  36.60103 15.68333 44.06701 16.61334 
-7.465977      22.84666 
1 1 1 10  33 6  o 110.0776 7.930172 126.4736       17.63250  100.9535       
22.89676  163.6619       27.63983  96.70068 11.89452 123.8437 11.09267 
-27.14302      16.26428 
1 1 1 10  33 7  o 99.20704 9.135444 103.9882       18.22286  104.2563       
23.59849  103.5921       28.68054  97.98756 12.09999 95.98827 15.19955 
1.999290       19.42772 
1 1 1 10  33 8  o 56.83753 17.04755 37.92785       21.26912  37.92785       
21.26912  0.000000       0.000000  56.83753 17.04755 ?        ?        
0.000000       17.04755 
1 1 1 10  33 9  o 39.21167 15.11982 13.79131       17.05380  16.59360       
21.27972  8.760298       28.51262  42.83339 16.78476 42.88290 18.35636 
-0.4951859E-01 24.87336 
1 1 1 10  33 10 o 30.97854 13.39631 1.713930       15.48354  7.067580       
18.35760  -11.48229      28.82145  35.67407 14.97478 35.88300 16.62473 
-0.2089233     22.37467 
1 1 1 10  33 11 o 21.85351 10.56932 -19.12785      14.33471  -17.74397      
16.63909  -23.11193      28.23214  24.47451 11.72082 31.86293 15.26130 
-7.388416      19.24279 
1 1 1 10  33 12 o 41.54591 13.58037 21.64177       13.20750  7.463471       
14.53915  88.57851       31.59070  31.96998 13.36710 76.09303 20.11156 
-44.12305      24.14859 
1 1 1 10  34 0  o 130.8159 3.921576 174.6864       10.43212  167.8825       
30.43272  175.5924       11.10496  125.6545 12.05807 131.1217 4.164772 
-5.467194      12.75705 
1 1 1 10  34 1  o 107.1579 4.620838 117.4327       10.06923  147.6766       
27.64158  112.8053       10.81213  117.8292 11.69040 104.9642 5.065458 
12.86496       12.74065 
1 1 1 10  34 2  o 153.5058 4.262261 240.8566       13.30504  211.0062       
30.85953  247.6725       14.74600  141.3003 10.82203 155.5826 4.660815 
-14.28232      11.78302 
1 1 1 10  34 3  o 56.31160 10.06183 34.16240       11.09913  7.911087       
23.09883  42.04298       12.65592  40.86361 16.94677 62.53675 10.31136 
-21.67315      19.83727 
1 1 1 10  34 4  o 40.62350 14.32457 16.33792       14.72455  35.16919       
22.41599  2.045438       19.52863  55.78900 17.64289 35.55842 15.20555 
20.23058       23.29121 
1 1 1 10  34 5  o 172.8074 8.023535 310.4650       28.19547  236.8012       
67.44382  326.0661       31.03793  137.2946 25.08091 176.7892 8.633474 
-39.49463      26.52525 
1 1 1 10  34 6  o 56.79874 13.84308 36.41809       15.84325  12.83055       
20.86142  68.56246       24.35313  41.52234 16.50843 77.37048 16.00644 
-35.84813      22.99423 
1 1 1 10  34 7  o 110.2943 8.399658 127.9762       18.69772  118.5454       
23.89681  142.8645       30.02535  104.6674 11.41229 113.8896 13.20971 
-9.222153      17.45672 
1 1 1 10  34 8  o 33.20625 14.86290 -4.393125      20.64407  -4.393125      
20.64407  0.000000       0.000000  33.20625 14.86290 ?        ?        
0.000000       14.86290 
1 1 1 10  34 9  o 104.7415 8.434747 116.9549       17.81336  103.1552       
21.12985  150.8588       33.11973  96.83899 10.92057 114.1553 14.60183 
-17.31627      18.23383 
1 1 1 10  34 10 o 26.18498 12.07949 -7.922807      14.97637  -6.583508      
17.60909  -11.42436      28.47269  29.03560 13.28507 35.16140 16.36976 
-6.125797      21.08227 
1 1 1 10  34 11 o 40.12006 14.47355 19.19739       15.11622  23.23708       
17.62648  7.966815       29.38952  43.16267 15.62026 39.65789 17.74341 
3.504776       23.63940 
1 1 1 10  34 12 o 74.70596 9.682492 64.07187       14.36336  61.13089       
15.98719  76.38293       32.70951  71.47298 11.38133 66.28858 21.34940 
5.184395       24.19362 
1 1 1 10  35 0  o 130.3206 4.022279 173.4766       10.65949  0.000000       
0.000000  173.4766       10.65949  ?        ?        130.3206 4.022279 
0.000000       4.022279 
1 1 1 10  35 1  o 99.14977 5.066685 100.9834       10.18156  0.000000       
0.000000  100.9834       10.18156  ?        ?        99.14977 5.066685 
0.000000       5.066685 
1 1 1 10  35 2  o 103.3259 6.102387 110.2113       12.76524  0.000000       
0.000000  110.2113       12.76524  ?        ?        103.3259 6.102387 
0.000000       6.102387 
1 1 1 10  35 3  f 58.38015 9.163071 36.41601       10.52004  44.16185       
27.72766  35.11351       11.37018  61.64294 19.63585 56.99950 10.18313 
4.643440       22.11928 
1 1 1 10  35 4  o 76.54142 10.80539 63.09861       16.35079  53.75741       
26.21295  69.04795       20.91938  67.47639 18.53484 78.97148 13.51221 
-11.49509      22.93731 
1 1 1 10  35 5  o 87.81155 12.56387 84.39289       21.79553  -98.92715      
74.63966  101.4817       22.78877  46.88572 22.99054 96.79079 11.82387 
-49.90507      25.85283 
1 1 1 10  35 6  o 134.7165 8.358155 190.4547       22.78420  117.7067       
37.05124  234.6928       28.89286  99.43368 19.01691 148.8802 9.594465 
-49.44648      21.30015 
1 1 1 10  35 7  o 136.2325 7.210848 193.7641       19.90534  172.8889       
26.03312  223.1467       30.88560  127.0360 10.16246 144.0870 10.61572 
-17.05102      14.69589 
1 1 1 10  35 8  o 78.16011 14.02743 70.32453       21.47609  70.32453       
21.47609  0.000000       0.000000  78.16011 14.02743 ?        ?        
0.000000       14.02743 
1 1 1 10  35 9  o 76.07867 10.55058 64.26360       15.88327  70.54050       
18.66569  47.79081       30.23816  78.82018 12.02632 59.45063 20.55483 
19.36955       23.81456 
1 1 1 10  35 10 o 32.86211 13.44858 8.103083       14.29453  12.25565       
16.61267  -3.739815      28.05498  36.54691 14.66380 36.30974 16.67033 
0.2371712      22.20196 
1 1 1 10  35 11 o 36.79979 13.96886 15.43568       14.40920  12.60614       
16.34835  25.28558       30.50227  35.67575 14.46460 44.69253 19.05467 
-9.016777      23.92290 
1 1 1 10  36 0  o 140.8876 3.615838 202.6519       10.35937  208.3807       
31.33865  201.9491       10.97642  140.0850 11.09182 140.6065 3.838873 
-0.5214996     11.73736 
1 1 1 10  36 1  o 90.93814 4.968726 85.01787       9.153673  87.25630       
27.59185  84.74104       9.703201  87.91534 16.02391 90.72455 5.282291 
-2.809212      16.87212 
1 1 1 10  36 2  f 48.57399 10.29319 25.73968       9.851352  12.95558       
26.51371  27.78726       10.61099  44.86179 18.33259 50.40578 10.68378 
-5.543987      21.21855 
1 1 1 10  36 3  o 142.8268 5.599179 209.8033       16.26243  220.1591       
32.32998  206.2954       18.81620  143.5265 11.16485 141.3328 6.546929 
2.193726       12.94281 
1 1 1 10  36 4  o 32.67421 13.67398 3.797498       15.23396  -26.48330      
24.25260  23.53093       19.57834  30.12552 14.35083 47.18732 16.52678 
-17.06180      21.88791 
1 1 1 10  36 5  o 109.5119 10.28155 128.1812       22.62855  151.9512       
61.05376  124.3959       24.36375  104.3222 28.13487 107.3167 11.33570 
-2.994537      30.33264 
1 1 1 10  36 6  o 140.4004 6.637916 204.4420       18.95185  185.6735       
25.27057  228.5668       28.65041  132.1723 9.464715 146.5736 9.666484 
-14.40137      13.52855 
1 1 1 10  36 7  o 67.67519 14.70802 53.40625       19.66313  57.59017       
29.10021  49.89098       26.67370  67.24912 19.88818 63.10762 19.12779 
4.141502       27.59369 
1 1 1 10  36 8  o 76.01934 13.45018 66.81654       20.03157  21.55379       
26.78482  124.2625       30.17506  46.55742 18.64108 102.9367 14.84449 
-56.37929      23.82958 
1 1 1 10  36 9  o 71.72727 13.05342 60.58763       18.33828  42.35257       
22.50249  96.64527       31.64286  56.66488 17.64110 85.29167 18.75441 
-28.62679      25.74755 
1 1 1 10  36 10 o 34.14222 14.42316 8.193915       17.20589  -8.827676      
21.19058  41.12975       29.47658  30.23474 14.09146 52.33179 19.95184 
-22.09705      24.42632 
1 1 1 10  36 11 o 23.35081 11.46542 -27.36504      18.75997  -21.34468      
24.50299  -35.89270      29.16236  28.52719 13.80221 28.64534 14.11012 
-0.1181507     19.73820 
1 1 1 10  37 0  o 48.22642 16.41672 24.87053       19.26760  29.90238       
26.92637  19.59045       27.58249  53.32847 19.30503 48.38876 19.06314 
4.939716       27.13093 
1 1 1 10  37 1  o 130.5813 4.339544 174.5598       11.52329  167.8251       
32.28846  175.5428       12.33562  124.1829 12.97769 130.8860 4.634644 
-6.703033      13.78044 
1 1 1 10  37 2  o 31.85033 11.28015 9.662539       9.140395  50.78445       
24.85507  3.231560       9.829168  65.54596 18.06645 27.14477 11.13532 
38.40119       21.22245 
1 1 1 10  37 3  o 74.73298 8.895083 59.30792       13.25249  46.92263       
27.66714  62.99570       15.09711  62.62868 19.57145 76.67091 9.915330 
-14.04223      21.93981 
1 1 1 10  37 4  o 70.61444 10.00558 53.71560       13.96573  67.22882       
58.82109  52.90833       14.37683  71.88009 27.97819 69.90598 10.43277 
1.974113       29.86004 
1 1 1 10  37 5  o 96.31648 9.450708 98.95794       18.27199  91.24315       
26.62960  105.8215       25.11763  89.28473 15.21216 97.71099 12.96092 
-8.426262      19.98487 
1 1 1 10  37 6  o 96.02264 8.532606 97.92023       16.48762  112.4820       
21.95340  79.08008       24.97101  101.7272 10.77649 82.34544 15.48061 
19.38177       18.86218 
1 1 1 10  37 7  o 122.9415 7.113449 158.8661       17.70804  158.3861       
22.11182  159.7244       29.56869  121.5724 9.008228 119.4799 12.34799 
2.092529       15.28467 
1 1 1 10  37 8  o 66.10398 13.91448 52.08588       18.11278  19.61129       
22.66653  109.4585       30.12767  43.61327 17.24945 94.26143 16.30764 
-50.64816      23.73779 
1 1 1 10  37 9  o 53.05679 13.71296 34.84290       14.90260  24.13055       
17.39202  64.43535       28.90668  44.08867 15.56577 66.30631 19.87099 
-22.21764      25.24182 
1 1 1 10  37 10 o 49.55777 16.66998 34.85764       19.86435  34.85764       
19.86435  0.000000       0.000000  49.55777 16.66998 ?        ?        
0.000000       16.66998 
1 1 1 10  38 0  o 41.29913 15.96565 14.34761       19.05330  32.78627       
26.46581  -5.490940      27.45210  54.47570 19.20500 38.32095 17.14669 
16.15474       25.74570 
1 1 1 10  38 1  o 83.71615 5.045563 72.23146       8.549413  64.10853       
28.08766  73.06089       8.975294  73.11032 18.79002 84.14557 5.271862 
-11.03525      19.51557 
1 1 1 10  38 2  o 98.71494 5.307279 100.5105       10.61473  137.8028       
30.69140  95.44373       11.31286  111.4516 13.83978 96.04868 5.819475 
15.40295       15.01352 
1 1 1 10  38 3  o 141.8620 5.615259 207.3996       16.19897  240.9933       
32.62907  196.4114       18.66111  149.9252 10.77418 137.6765 6.665401 
12.24875       12.66927 
1 1 1 10  38 4  f 69.31078 10.03831 52.00200       13.73667  -41.55001      
64.86965  56.39396       14.05542  48.77883 23.30107 72.31981 9.810531 
-23.54098      25.28214 
1 1 1 10  38 5  o 77.23494 11.79068 66.08192       17.93145  57.79632       
27.01929  72.60358       23.97124  68.16254 18.85671 78.83033 15.50605 
-10.66779      24.41339 
1 1 1 10  38 6  o 32.61820 13.57219 5.339761       14.88589  18.91488       
19.85064  -12.10277      22.50128  43.20500 16.39673 31.76372 14.70673 
11.44128       22.02591 
1 1 1 10  38 7  o 30.79414 13.17985 2.826627       14.69524  19.60296       
18.00945  -30.59753      25.42039  42.41713 15.71727 29.11517 14.07980 
13.30196       21.10150 
1 1 1 10  38 8  o 24.11463 11.49953 -15.79534      15.65887  -15.79534      
15.65887  0.000000       0.000000  24.11463 11.49953 ?        ?        
0.000000       11.49953 
1 1 1 10  38 9  o 35.72307 13.62999 13.93684       13.76286  10.23085       
15.56596  27.21099       29.45962  34.14928 14.01138 45.67812 19.05697 
-11.52884      23.65348 
1 1 1 10  38 10 o 41.54612 15.26889 23.47672       16.93594  20.25827       
20.37027  30.68188       30.47859  39.79448 16.14206 44.78131 19.06878 
-4.986832      24.98368 
1 1 1 10  39 0  o 119.4471 12.63278 156.0525       30.21936  156.0525       
30.21936  0.000000       0.000000  119.4471 12.63278 ?        ?        
0.000000       12.63278 
1 1 1 10  39 1  o 122.5238 3.957230 153.6688       9.859688  155.0964       
29.58539  153.4904       10.45750  119.1092 12.39625 122.4005 4.201393 
-3.291267      13.08888 
1 1 1 10  39 2  o 33.75344 10.69988 12.10656       8.240930  -5.463934      
24.62516  14.32252       8.745170  36.00121 16.16493 36.29965 10.94117 
-0.2984352     19.51958 
1 1 1 10  39 3  o 115.8914 5.679480 138.6475       13.38477  0.000000       
0.000000  138.6475       13.38477  ?        ?        115.8914 5.679480 
0.000000       5.679480 
1 1 1 10  39 4  o 94.78241 7.002979 94.12260       13.40219  67.61172       
29.61800  100.9486       15.02886  73.26479 19.52586 97.92105 7.607131 
-24.65627      20.95537 
1 1 1 10  39 5  o 111.7588 11.87936 138.5413       26.58376  0.000000       
0.000000  138.5413       26.58376  ?        ?        111.7588 11.87936 
0.000000       11.87936 
1 1 1 10  39 6  o 54.67416 16.69757 37.28568       20.27040  37.28568       
20.27040  0.000000       0.000000  54.67416 16.69757 ?        ?        
0.000000       16.69757 
1 1 1 10  39 7  o 26.75336 11.95968 -2.394871      13.32232  4.135831       
15.65291  -19.55916      25.37630  31.86083 13.61857 31.04713 14.75852 
0.8136997      20.08182 
1 1 1 10  39 8  o 38.75018 13.66149 17.78459       13.39231  11.20385       
15.26399  39.79027       27.91247  34.82999 14.02735 52.01535 19.50889 
-17.18535      24.02839 
1 1 1 10  39 9  o 30.49143 12.71847 7.103235       13.11787  5.029691       
14.71755  15.11648       28.93231  30.35176 13.09308 39.93592 17.75410 
-9.584158      22.05984 
1 1 1 10  39 10 o 28.38742 13.13769 -3.025928      17.92704  -4.113421      
22.92759  -1.315189      28.75657  30.80757 14.45523 33.89668 15.99274 
-3.089109      21.55740 
1 1 1 10  40 0  o 60.93274 19.15993 45.02444       26.46986  45.02444       
26.46986  0.000000       0.000000  60.93274 19.15993 ?        ?        
0.000000       19.15993 
1 1 1 10  40 1  o 83.58268 12.80974 77.80386       21.07840  66.16869       
28.45793  91.94534       31.37362  73.39177 18.94037 87.40380 18.24112 
-14.01203      26.29593 
1 1 1 10  40 2  o 18.56911 8.631449 -6.468939      7.866407  -37.73474      
25.96898  -3.310219      8.254211  28.79996 13.99839 20.80370 9.348670 
7.996265       16.83308 
1 1 1 10  40 3  o 51.77376 20.23573 28.40331       30.86839  0.000000       
0.000000  28.40331       30.86839  ?        ?        51.77376 20.23573 
0.000000       20.23573 
1 1 1 10  40 4  o 60.10882 12.81022 41.47728       15.17953  78.54617       
26.08634  22.49983       18.66496  80.74034 16.44661 45.07170 16.10250 
35.66864       23.01698 
1 1 1 10  40 5  o 46.45086 15.22721 25.53007       16.60059  19.43564       
26.45780  29.48708       21.31922  45.22431 18.37781 49.42341 17.24950 
-4.199100      25.20494 
1 1 1 10  40 6  o 37.98491 13.98803 15.41901       14.22381  8.346993       
18.25350  26.35161       22.69531  35.72795 14.96132 46.84974 17.58753 
-11.12179      23.09031 
1 1 1 10  40 7  o 30.64220 12.74787 5.999412       13.12947  -1.095454      
15.59477  23.27048       24.33137  28.99025 12.95104 44.30080 17.75647 
-15.31055      21.97775 
1 1 1 10  40 8  o 33.96860 14.24580 9.676426       16.58902  1.674707       
21.12212  22.55775       26.79946  32.93092 14.86176 42.69260 18.01596 
-9.761673      23.35480 
1 1 1 10  40 9  o 53.27786 14.53292 39.35597       16.18150  37.25035       
19.38638  44.19266       29.38195  49.51732 16.46615 49.35217 19.60114 
0.1651497      25.59959 
1 1 1 10  41 0  o 29.17395 13.43470 -10.40960      18.40965  -16.83066      
24.14126  -1.486587      28.45852  32.04593 14.97072 39.53812 17.59124 
-7.492191      23.09923 
1 1 1 10  41 1  o 75.87088 13.87076 65.79139       20.61201  75.82922       
27.72290  53.38358       30.82240  79.02837 17.69147 64.59696 20.71599 
14.43140       27.24225 
1 1 1 10  41 2  o 98.64764 4.985092 100.5491       9.967840  150.6443       
35.05960  96.14368       10.39690  113.7140 15.57047 96.34778 5.327219 
17.36625       16.45657 
1 1 1 10  41 3  o 53.73319 10.02382 31.96564       10.54996  0.000000       
0.000000  31.96564       10.54996  ?        ?        53.73319 10.02382 
0.000000       10.02382 
1 1 1 10  41 4  o 81.65640 7.693758 71.06609       12.62495  65.29070       
27.18080  72.65485       14.25608  70.87325 18.61831 82.07159 8.673325 
-11.19834      20.53943 
1 1 1 10  41 5  o 156.7227 6.916078 259.1451       22.04161  192.4833       
31.26989  324.9749       31.07412  130.0989 11.95325 173.3331 8.845325 
-43.23422      14.87010 
1 1 1 10  41 6  o 118.9723 7.859917 152.7842       18.90869  131.6155       
25.40630  179.0695       28.31069  106.4866 11.93813 125.1758 11.24175 
-18.68919      16.39804 
1 1 1 10  41 7  o 39.91654 13.68647 19.81908       13.39281  20.78823       
16.15110  17.68588       23.96183  40.72476 14.91938 40.49965 17.06005 
0.2251053      22.66347 
1 1 1 10  41 8  o 37.20439 13.49353 17.53855       13.16390  22.74227       
15.34815  3.059122       25.60206  40.97979 14.60597 34.51154 15.87433 
6.468246       21.57148 
1 1 1 10  41 9  o 59.18910 13.10470 46.92871       15.35677  46.92871       
15.35677  0.000000       0.000000  59.18910 13.10470 ?        ?        
0.000000       13.10470 
1 1 1 10  42 0  o 73.73159 13.74109 62.40925       19.84479  34.67407       
27.34417  93.27372       28.84553  53.98390 19.46773 88.35102 16.66632 
-34.36712      25.62730 
1 1 1 10  42 1  o 39.55231 16.08861 11.81100       20.30209  5.754245       
27.59892  18.95338       29.97045  40.91994 17.79011 46.97464 19.37731 
-6.054707      26.30529 
1 1 1 10  42 2  o 39.99559 9.480189 17.81787       7.592844  0.000000       
0.000000  17.81787       7.592844  ?        ?        39.99559 9.480189 
0.000000       9.480189 
1 1 1 10  42 3  o 119.1246 4.969714 146.7826       12.03883  176.4912       
35.29028  142.8699       12.80708  122.6377 14.42655 117.3606 5.366317 
5.277100       15.39229 
1 1 1 10  42 4  o 31.47217 13.02432 6.081376       13.60196  -6.907341      
26.02638  10.96214       15.95418  34.79279 16.00430 35.84035 14.37380 
-1.047569      21.51148 
1 1 1 10  42 5  o 23.31204 11.19308 -17.37088      15.39450  -2.467987      
22.59823  -30.27547      21.02864  33.48485 15.21576 25.27026 12.35151 
8.214592       19.59794 
1 1 1 10  42 6  o 70.31448 9.475918 55.97840       13.20427  39.29187       
15.68795  96.52159       24.45357  55.47689 13.92686 87.62053 14.21093 
-32.14364      19.89744 
1 1 1 10  42 7  o 38.91850 13.42640 19.48336       12.89827  25.55247       
15.23551  4.128152       24.23385  43.31779 14.59897 34.51612 15.71230 
8.801666       21.44776 
1 1 1 10  42 8  o 26.94949 11.81590 3.012858       12.40173  1.559346       
14.29467  7.436629       24.93797  27.55350 12.34780 34.48212 15.78909 
-6.928625      20.04404 
1 1 1 10  43 0  o 62.02933 15.56795 46.56553       19.60643  31.30478       
27.05512  63.44402       28.45303  51.47555 19.22644 69.81139 19.36411 
-18.33585      27.28781 
1 1 1 10  43 1  o 47.47349 19.25960 22.74665       29.00270  0.000000       
0.000000  22.74665       29.00270  ?        ?        47.47349 19.25960 
0.000000       19.25960 
1 1 1 10  43 2  o 54.62708 6.653750 31.73815       7.238689  0.000000       
0.000000  31.73815       7.238689  ?        ?        54.62708 6.653750 
0.000000       6.653750 
1 1 1 10  43 3  o 29.59540 11.04554 8.259673       8.926084  34.42308       
29.41080  5.605256       9.367947  51.32871 19.83798 27.71275 11.04852 
23.61597       22.70716 
1 1 1 10  43 4  o 52.72319 12.54948 33.48326       13.26072  43.53798       
24.53328  29.33316       15.76159  55.60316 18.52504 48.14951 14.72717 
7.453651       23.66573 
1 1 1 10  43 5  o 141.3529 10.00616 226.4771       28.57643  0.000000       
0.000000  226.4771       28.57643  ?        ?        141.3529 10.00616 
0.000000       10.00616 
1 1 1 10  43 6  o 27.90484 11.95254 4.036296       12.10278  -10.96824      
14.21320  43.60972       23.08249  23.41141 11.10443 52.77636 17.96856 
-29.36496      21.12292 
1 1 1 10  43 7  o 35.51731 13.27812 16.15250       12.90981  7.084669       
14.96783  42.49381       25.51090  30.61186 13.20461 48.76647 18.56870 
-18.15460      22.78505 
1 1 1 10  43 8  o 54.27933 12.21988 39.29943       13.16310  32.10101       
15.19681  60.92467       26.33990  46.07328 14.52205 55.60463 19.18651 
-9.531349      24.06267 
1 1 1 10  44 0  o 33.97594 14.83985 2.257451       19.39679  -11.22007      
27.44837  15.70130       27.41406  34.83804 16.17000 43.61988 18.30428 
-8.781841      24.42366 
1 1 1 10  44 1  o 38.09144 17.21256 -0.4243348     28.43724  0.000000       
0.000000  -0.4243348     28.43724  ?        ?        38.09144 17.21256 
0.000000       17.21256 
1 1 1 10  44 2  o 44.58119 16.40975 23.96752       19.57210  57.89309       
28.42701  -6.608747      26.98733  63.58823 19.83301 35.10741 16.20246 
28.48081       25.60992 
1 1 1 10  44 3  o 47.17381 9.538960 25.32171       8.836169  42.78247       
31.15095  23.79387       9.214653  53.54460 20.48770 45.35938 10.23333 
8.185223       22.90124 
1 1 1 10  44 4  o 33.97754 12.66800 12.61816       11.73503  18.62439       
21.33849  10.01403       14.05057  40.44833 16.47824 33.18391 13.42523 
7.264416       21.25487 
1 1 1 10  44 5  o 43.85316 11.84074 24.06056       10.80634  -16.08546      
21.28456  38.00275       12.54321  27.51987 13.19959 55.78361 11.44124 
-28.26374      17.46800 
1 1 1 10  44 6  o 24.25513 10.94745 -1.115256      11.46431  -2.349324      
13.47512  2.119023       21.81483  25.40831 11.62398 31.93517 14.67593 
-6.526859      18.72165 
1 1 1 10  44 7  o 42.13293 13.01219 24.97951       12.27058  22.13324       
14.12872  33.71595       24.75326  38.92044 13.99863 42.76425 17.62174 
-3.843807      22.50528 
1 1 1 10  45 0  o 71.98403 20.15926 73.81358       30.68317  0.000000       
0.000000  73.81358       30.68317  ?        ?        71.98403 20.15926 
0.000000       20.15926 
1 1 1 10  45 1  o 41.36896 18.15648 11.68916       29.34840  0.000000       
0.000000  11.68916       29.34840  ?        ?        41.36896 18.15648 
0.000000       18.15648 
1 1 1 10  45 2  o 47.23362 16.60968 29.72408       19.78469  45.63214       
29.13394  16.10886       26.95274  54.68893 20.03736 41.45510 17.79887 
13.23383       26.80104 
1 1 1 10  45 3  o 27.23053 10.33657 7.039419       7.889940  2.466415       
28.31895  7.424264       8.215227  36.65833 16.80019 27.80219 10.54895 
8.856138       19.83751 
1 1 1 10  45 4  o 44.79137 10.86916 24.45365       9.799635  11.30386       
21.64504  27.84397       10.99056  36.07396 15.71840 47.41325 11.51393 
-11.33929      19.48432 
1 1 1 10  45 5  o 56.47330 9.639124 37.86525       10.67230  36.70510       
21.41294  38.24869       12.31024  47.33812 17.20339 55.29042 11.32956 
-7.952297      20.59892 
1 1 1 10  45 6  o 26.31530 11.55375 3.341134       11.89365  -16.25347      
14.06563  52.50186       22.27922  21.03815 10.24311 54.58680 17.62380 
-33.54865      20.38430 
1 1 1 10  46 0  o 49.69125 19.36265 34.84718       28.19604  0.000000       
0.000000  34.84718       28.19604  ?        ?        49.69125 19.36265 
0.000000       19.36265 
1 1 1 10  46 1  f 25.27805 12.24371 -22.32726      19.41556  -12.52078      
26.60308  -33.50362      28.40045  32.30593 15.28499 29.20632 14.29198 
3.099607       20.92586 
1 1 1 10  46 2  o 45.30818 16.48558 28.71376       19.67189  13.51693       
29.04950  41.58538       26.73492  39.73207 17.71826 51.12724 19.10918 
-11.39517      26.05950 
1 1 1 10  46 3  o 63.18113 6.454520 43.35663       8.176381  24.11205       
29.02658  45.01524       8.521442  41.96883 18.24528 64.28869 6.612470 
-22.31985      19.40657 
1 1 1 10  46 4  o 32.24770 11.22972 12.71096       9.033156  14.62299       
21.63860  12.30742       9.940776  36.07061 15.71653 31.98594 11.70670 
4.084671       19.59735 
1 1 1 10  46 5  o 22.29933 10.01635 -0.4527510     9.464049  -23.67240      
20.85236  5.571076       10.62096  24.36475 11.98801 26.71401 11.31109 
-2.349260      16.48190 
1 1 1 10  46 6  o 44.51276 14.72131 32.21357       15.50324  30.55001       
21.11666  34.15864       22.83365  40.37918 16.41468 41.51271 16.99400 
-1.133526      23.62705 
1 1 1 10  47 0  o 37.26110 15.96217 12.53307       21.58976  7.154900       
33.11093  16.51086       28.47571  39.22101 18.04507 40.70808 17.87502 
-1.487068      25.39963 
1 1 1 10  47 1  o 31.00302 14.20798 -1.165020      20.25204  -26.50849      
30.35317  19.16973       27.18882  30.56825 14.91903 40.53768 17.64073 
-9.969427      23.10352 
1 1 1 10  47 2  o 23.19664 11.39138 -25.38192      18.53970  -43.71191      
26.51873  -7.857573      25.92940  25.47693 12.70379 31.43771 14.93669 
-5.960781      19.60845 
1 1 1 10  47 3  o 57.97147 6.239027 36.80484       7.239184  57.82446       
28.95166  35.40300       7.476684  53.53312 19.90978 56.59742 6.621374 
-3.064304      20.98194 
1 1 1 10  47 4  o 29.83238 10.76132 10.90941       8.356247  -2.162361      
20.74928  13.43989       9.129306  28.95454 13.63775 32.29460 11.28688 
-3.340057      17.70259 
1 1 1 10  47 5  o 38.76382 11.28805 20.53817       9.438926  8.139137       
20.50224  23.87303       10.63278  31.05055 14.25394 41.16919 11.97842 
-10.11865      18.61874 
1 1 1 10  48 0  o 38.81949 15.96647 19.56201       20.27451  61.83865       
29.36487  -18.94982      28.02689  57.96360 20.24360 30.23720 14.66125 
27.72639       24.99511 
1 1 1 10  48 1  o 46.91489 16.47526 35.01368       19.46263  73.59026       
29.25370  4.378402       26.06933  62.68084 20.19040 33.96982 15.76402 
28.71101       25.61556 
1 1 1 10  48 2  o 48.07721 16.29634 38.13896       18.98529  54.40584       
29.27350  26.32970       24.94214  50.47833 19.71251 39.89771 17.12594 
10.58062       26.11285 
1 1 1 10  48 3  o 46.47657 15.88843 36.84093       18.04826  60.73413       
27.63824  19.07700       23.83104  52.46582 19.46477 35.94138 16.03647 
16.52444       25.21994 
1 1 1 10  48 4  o 32.39518 10.56195 13.96366       7.990795  -17.61917      
20.59136  19.56312       8.670268  24.47878 12.01780 38.14642 10.72793 
-13.66763      16.10950 
1 1 1 10  49 0  o 30.69264 13.92517 4.645308       18.83299  15.18609       
27.86582  -4.217716      25.55208  36.44476 16.68867 30.91113 14.72650 
5.533628       22.25717 
1 1 1 10  49 1  o 41.93677 15.97800 30.01168       18.89621  19.62285       
27.95963  38.74662       25.63764  36.71819 16.77744 43.80783 17.97888 
-7.089638      24.59111 
1 1 1 10  49 2  o 31.01351 14.00621 9.071868       18.79829  31.34005       
30.28615  -4.883414      23.97569  38.65417 17.58405 28.84243 13.87928 
9.811745       22.40164 
1 1 1 10  49 3  o 24.15027 11.65231 -9.143070      17.16687  -13.75295      
26.69765  -5.893469      22.41523  27.43085 13.50972 27.34348 13.22263 
0.8736992E-01  18.90372 
1 1 1 10  50 0  o 26.45981 12.54704 -4.225990      18.12267  -19.70744      
28.27141  6.572948       23.61197  27.77336 13.72065 31.45069 14.72898 
-3.677326      20.12956 
1 1 1 10  50 1  o 28.06891 13.03233 3.139662       17.85089  21.11649       
28.12935  -8.981203      23.09776  34.91471 16.26020 27.09702 13.17788 
7.817690       20.92966 
1 1 1 10  50 2  o 34.67227 14.79253 21.68866       18.40543  13.85174       
28.76660  27.12046       23.94902  32.23499 15.43042 35.86843 16.03475 
-3.633442      22.25334 
1 1 1 10  51 0  o 32.62503 14.38058 17.33551       18.59067  26.48457       
31.28059  12.33910       23.11614  34.71972 16.46973 31.23416 14.61035 
3.485556       22.01624 
1 1 1 10  51 1  o 37.74506 15.12711 29.09966       17.65678  24.94911       
27.27503  32.09385       23.16604  33.68982 15.79439 36.67373 16.11261 
-2.983917      22.56278 
1 1 1 10  52 0  o 40.05777 15.57469 36.24294       18.21224  62.22509       
28.66898  18.66343       23.58186  42.54645 18.31391 31.11546 14.61899 
11.43098       23.43319 
1 1 1 11  0  0  o 199.1625 6.429666 404.8066       25.97891  404.8066       
25.97891  404.8066       25.97891  199.1625 6.429666 199.1625 6.429666 
0.000000       0.000000 
1 1 1 11  0  1  o 429.8352 6.712183 1881.364       58.63791  1881.364       
58.63791  1881.364       58.63791  429.8352 6.712183 429.8352 6.712183 
0.000000       0.000000 
1 1 1 11  0  2  o 271.4115 8.948730 752.6591       49.26858  752.6591       
49.26858  752.6591       49.26858  271.4115 8.948730 271.4115 8.948730 
0.000000       0.000000 
1 1 1 11  0  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  0  4  o 341.3077 9.956447 1191.375       68.97074  1191.375       
68.97074  1191.375       68.97074  341.3077 9.956447 341.3077 9.956447 
0.000000       0.000000 
1 1 1 11  0  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  0  6  o 72.26567 15.72581 60.58817       20.25078  60.58817       
20.25078  60.58817       20.25078  72.26567 15.72581 72.26567 15.72581 
0.000000       0.000000 
1 1 1 11  0  7  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  0  8  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  0  9  o 111.4705 18.40430 139.5823       38.29955  139.5823       
38.29955  139.5823       38.29955  111.4705 18.40430 111.4705 18.40430 
0.000000       0.000000 
1 1 1 11  0  10 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  0  11 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  0  12 o 209.9382 10.12827 458.2889       43.00980  458.2889       
43.00980  458.2889       43.00980  209.9382 10.12827 209.9382 10.12827 
0.000000       0.000000 
1 1 1 11  0  13 o 65.30630 25.15487 64.09096       31.65395  64.09096       
31.65395  64.09096       31.65395  65.30630 25.15487 65.30630 25.15487 
0.000000       0.000000 
1 1 1 11  0  14 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  0  15 o 70.20844 20.09178 67.70937       24.86578  67.70937       
24.86578  67.70937       24.86578  70.20844 20.09178 70.20844 20.09178 
0.000000       0.000000 
1 1 1 11  0  16 o 43.04604 21.24573 35.57774       22.29092  35.57774       
22.29092  35.57774       22.29092  43.04604 21.24573 43.04604 21.24573 
0.000000       0.000000 
1 1 1 11  1  0  o 342.4653 4.346900 1193.136       30.27246  1199.731       
42.89184  1186.589       42.73204  343.3177 6.143657 341.4316 6.154581 
1.886108       8.696171 
1 1 1 11  1  1  o 434.3270 5.488618 1919.943       48.47651  1946.191       
59.99494  1870.576       82.27946  437.1742 6.748522 428.2878 9.447227 
8.886444       11.61002 
1 1 1 11  1  2  o 418.5248 6.677390 1784.141       56.83023  1792.099       
80.80855  1776.352       79.93867  419.0825 9.482140 417.2467 9.421338 
1.835785       13.36685 
1 1 1 11  1  3  o 256.0123 4.759264 667.1539       24.77719  695.5922       
35.81174  641.0408       34.31653  261.2657 6.740490 250.8128 6.728252 
10.45296       9.523843 
1 1 1 11  1  4  o 31.51698 14.91288 -29.37625      25.33239  -1.603655      
35.83958  -57.10497      35.81126  47.64128 20.49165 34.51618 16.69646 
13.12510       26.43254 
1 1 1 11  1  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  1  6  o 209.5371 5.780997 447.7851       24.63288  445.3289       
29.21211  453.8296       45.82569  208.8292 6.878919 209.8898 10.77288 
-1.060577      12.78180 
1 1 1 11  1  7  o 104.8513 10.18652 114.0550       21.44543  114.0550       
21.44543  0.000000       0.000000  104.8513 10.18652 ?        ?        
0.000000       10.18652 
1 1 1 11  1  8  o 151.7487 6.304305 235.2808       19.45422  239.5550       
25.04867  228.7836       30.88342  152.6710 8.097147 148.7014 10.27618 
3.969635       13.08295 
1 1 1 11  1  9  o 78.37169 9.198663 64.02686       14.38126  52.95078       
19.95478  75.99705       20.74456  69.92458 14.50887 84.70544 12.41137 
-14.78087      19.09317 
1 1 1 11  1  10 o 96.28406 9.062493 96.31596       17.53530  92.03842       
22.92067  102.3530       27.22960  93.24017 12.39571 97.87711 14.08650 
-4.636932      18.76388 
1 1 1 11  1  11 o 52.31512 18.18750 27.23139       23.68978  58.65952       
31.83592  -11.76237      35.46138  72.19228 20.64633 43.25472 19.41167 
28.93756       28.33873 
1 1 1 11  1  12 o 58.23450 18.06616 36.97219       23.62335  67.40530       
33.81081  7.945763       33.02016  76.77566 21.03427 47.79056 20.07342 
28.98510       29.07547 
1 1 1 11  1  13 o 56.51574 19.12763 34.14929       26.15489  20.84244       
50.17894  39.11313       30.64733  59.40734 24.83549 60.24249 20.70112 
-0.8351555     32.33168 
1 1 1 11  1  14 o 55.01636 17.14532 34.14624       21.24937  37.74987       
36.05566  32.22849       26.30268  59.63995 22.21116 54.62455 19.15445 
5.015404       29.32965 
1 1 1 11  1  15 o 112.1468 17.89494 148.9999       39.43842  148.9999       
39.43842  0.000000       0.000000  112.1468 17.89494 ?        ?        
0.000000       17.89494 
1 1 1 11  1  16 o 96.21560 10.69239 101.8685       20.56665  82.23183       
37.14081  110.5527       24.69921  76.67063 22.41016 98.90582 12.56378 
-22.23518      25.69171 
1 1 1 11  2  0  o 397.9762 4.557736 1611.374       36.88567  1611.798       
52.20171  1610.951       52.12680  397.9088 6.451338 397.8048 6.443764 
0.1039734      9.118216 
1 1 1 11  2  1  o 606.7189 6.623369 3748.287       81.71803  3738.436       
99.88284  3768.229       142.1132  605.6998 8.109274 607.4344 11.50492 
-1.734558      14.07564 
1 1 1 11  2  2  o 274.5831 5.214663 767.4326       29.11732  745.2045       
49.50130  779.1922       36.00483  270.2868 9.006176 276.6028 6.401072 
-6.316010      11.04920 
1 1 1 11  2  3  o 310.9522 5.652915 984.6817       35.74518  1021.984       
42.62853  896.3334       65.60436  316.6943 6.619248 296.0396 10.89762 
20.65472       12.75039 
1 1 1 11  2  4  f 334.3238 6.700824 1139.619       45.55614  1139.619       
45.55614  0.000000       0.000000  334.3238 6.700824 ?        ?        
0.000000       6.700824 
1 1 1 11  2  5  o 462.4086 5.809332 2179.666       54.62653  2233.031       
68.66332  2087.651       90.16350  467.7081 7.219356 451.4673 9.820940 
16.24088       12.18893 
1 1 1 11  2  6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  2  7  o 118.0504 6.442460 142.7491       15.40727  143.0476       
22.02032  142.4629       21.56515  117.7112 9.274421 117.5026 9.095997 
0.2085800      12.99046 
1 1 1 11  2  8  o 61.92098 11.40369 40.80788       13.83026  27.24483       
19.75954  53.83379       19.36432  51.44147 16.59617 70.75743 13.95379 
-19.31596      21.68274 
1 1 1 11  2  9  f 130.2029 6.144367 173.2905       16.26857  200.3207       
23.30522  147.5999       22.72039  139.4553 8.254763 119.3772 9.436211 
20.07802       12.53727 
1 1 1 11  2  10 o 43.23573 16.81970 13.30624       21.24951  13.30624       
21.24951  0.000000       0.000000  43.23573 16.81970 ?        ?        
0.000000       16.81970 
1 1 1 11  2  11 o 212.2675 7.186299 462.3713       31.01989  453.2149       
39.80186  476.5374       49.50675  209.4930 9.342915 213.7163 11.43280 
-4.223236      14.76478 
1 1 1 11  2  12 o 38.42606 16.54327 0.2016684      23.40187  -23.60284      
33.95205  21.74619       32.30018  39.02461 18.06741 52.91697 20.69496 
-13.89236      27.47204 
1 1 1 11  2  13 o 108.6841 11.68606 125.4206       25.42191  140.0215       
42.13294  117.0619       31.87867  111.1327 19.34638 103.2607 15.67391 
7.872032       24.89887 
1 1 1 11  2  14 o 75.63120 14.34740 63.78621       21.25878  139.2073       
38.15233  29.82517       25.60148  110.5446 17.55909 53.08091 18.86990 
57.46367       25.77586 
1 1 1 11  2  15 o 44.72803 15.28012 21.81268       16.69259  -16.01534      
23.60854  59.63010       23.60524  31.94504 14.88360 70.89246 16.65658 
-38.94742      22.33749 
1 1 1 11  2  16 o 27.06453 12.66469 -12.96308      17.39735  -30.18279      
28.86713  -3.141320      21.80144  31.82785 15.29398 33.93735 15.22604 
-2.109499      21.58096 
1 1 1 11  3  0  o 285.3295 5.000699 828.3855       29.01541  812.4325       
34.90044  864.0917       52.21326  282.5195 6.074786 291.1894 8.817670 
-8.669861      10.70768 
1 1 1 11  3  1  o 270.5625 6.182824 745.2795       34.01778  745.2795       
34.01778  0.000000       0.000000  270.5625 6.182824 ?        ?        
0.000000       6.182824 
1 1 1 11  3  2  o 111.0830 7.137146 126.2382       16.03683  123.2405       
29.35152  127.5138       19.14747  108.8700 13.55105 111.5016 8.508834 
-2.631622      16.00098 
1 1 1 11  3  3  o 403.0104 6.912482 1655.375       56.65023  1648.613       
84.13350  1660.984       76.62320  401.5989 10.30208 403.2929 9.343041 
-1.694031      13.90774 
1 1 1 11  3  4  o 251.8746 6.572652 646.7910       33.66483  0.000000       
0.000000  646.7910       33.66483  ?        ?        251.8746 6.572652 
0.000000       6.572652 
1 1 1 11  3  5  o 213.2249 5.878386 463.5039       25.48868  466.9640       
30.88291  456.1115       45.14095  213.8888 7.100333 210.9001 10.52549 
2.988724       12.69648 
1 1 1 11  3  6  o 107.4011 6.957545 118.2983       15.11383  91.67625       
21.52491  144.1875       21.22659  93.69712 11.54097 118.3239 8.886689 
-24.62681      14.56596 
1 1 1 11  3  7  o 31.39126 12.92758 3.303889       13.31215  10.95232       
19.71008  -3.111490      18.05150  41.20839 16.15223 32.83396 14.32919 
8.374428       21.59214 
1 1 1 11  3  8  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  3  9  o 194.6066 5.555545 386.7595       21.98547  431.0734       
36.44604  361.4095       27.56574  204.7903 8.751642 187.8385 7.216616 
16.95178       11.34332 
1 1 1 11  3  10 o 102.8140 11.37778 110.9897       23.38944  110.9897       
23.38944  0.000000       0.000000  102.8140 11.37778 ?        ?        
0.000000       11.37778 
1 1 1 11  3  11 o 52.30556 18.69810 26.29843       25.17080  23.61941       
37.32815  28.53230       34.08612  56.18272 22.16295 56.91872 21.51370 
-0.7360001     30.88747 
1 1 1 11  3  12 o 56.45783 17.81751 34.46468       22.87104  11.29088       
33.70880  54.23291       31.13354  49.38971 20.47655 69.31756 20.58799 
-19.92785      29.03712 
1 1 1 11  3  13 o 80.37242 14.13182 70.66458       22.25392  36.66282       
30.91625  107.2251       32.05841  58.96603 20.76036 98.27113 16.63584 
-39.30510      26.60345 
1 1 1 11  3  14 o 109.9589 12.63822 130.9048       27.74595  0.000000       
0.000000  130.9048       27.74595  ?        ?        109.9589 12.63822 
0.000000       12.63822 
1 1 1 11  3  15 o 73.72393 13.25741 61.25700       19.14479  31.04106       
31.60224  78.77554       24.06294  53.72298 20.61667 82.89341 14.81895 
-29.17043      25.38992 
1 1 1 11  3  16 o 35.98788 14.83004 8.497747       17.53243  5.394122       
21.84179  14.12023       29.39799  37.20804 16.00035 44.40332 18.81063 
-7.195274      24.69516 
1 1 1 11  4  0  o 237.9737 4.940934 576.2293       23.91054  543.5648       
29.35617  640.6093       41.21324  231.0800 6.247202 250.7629 8.082059 
-19.68292      10.21505 
1 1 1 11  4  1  o 210.5789 4.629156 451.2035       19.82294  419.9489       
27.54529  484.7782       28.54939  203.0738 6.670248 218.1979 6.434206 
-15.12402      9.267752 
1 1 1 11  4  2  o 279.0504 5.055573 792.5834       28.68828  739.5624       
48.83982  820.5146       35.44825  269.2552 8.919870 283.8536 6.141141 
-14.59842      10.82948 
1 1 1 11  4  3  o 146.9180 8.874264 221.1491       26.38856  217.1833       
45.15463  223.2060       32.51975  144.4390 15.62216 147.3146 10.93350 
-2.875580      19.06812 
1 1 1 11  4  4  o 166.0857 5.432138 280.9975       18.34655  268.3467       
26.79840  292.1576       25.16997  161.9091 8.165590 169.2224 7.314308 
-7.313324      10.96248 
1 1 1 11  4  5  o 413.3569 5.706509 1741.722       47.96750  1676.163       
57.08550  1899.202       88.47463  405.2585 6.926952 430.4701 10.10705 
-25.21158      12.25296 
1 1 1 11  4  6  o 78.73234 8.982807 64.31055       14.12445  64.45832       
20.80766  64.18427       19.23489  77.86148 13.63867 77.93422 12.56418 
-0.7273865E-01 18.54379 
1 1 1 11  4  7  o 65.65502 10.61419 45.45789       13.68764  50.68040       
19.91507  40.78210       18.84382  68.53581 14.72801 61.37177 15.18257 
7.164043       21.15241 
1 1 1 11  4  8  o 158.9140 7.634063 258.6492       24.67001  258.6492       
24.67001  0.000000       0.000000  158.9140 7.634063 ?        ?        
0.000000       7.634063 
1 1 1 11  4  9  o 231.3702 8.658023 550.1658       40.73593  550.1658       
40.73593  0.000000       0.000000  231.3702 8.658023 ?        ?        
0.000000       8.658023 
1 1 1 11  4  10 o 60.24987 15.95678 39.81441       19.86020  39.81441       
19.86020  0.000000       0.000000  60.24987 15.95678 ?        ?        
0.000000       15.95678 
1 1 1 11  4  11 o 111.4256 8.524707 128.6196       19.16940  137.9730       
22.42435  103.2325       36.94384  115.1313 9.667498 95.99696 19.58814 
19.13437       21.84390 
1 1 1 11  4  12 o 176.0803 8.236622 319.5907       29.49249  350.1801       
40.00808  283.1848       43.64636  183.1298 10.79098 163.5203 13.23940 
19.60944       17.08002 
1 1 1 11  4  13 o 51.76737 17.32845 28.37676       21.46359  14.50753       
29.82594  43.27382       30.91136  48.07158 19.52098 62.44609 20.79360 
-14.37451      28.52091 
1 1 1 11  4  14 o 27.55721 12.81838 -13.61834      17.39797  12.88264       
24.32543  -41.37105      24.89328  43.70353 17.67043 27.72258 13.52589 
15.98095       22.25295 
1 1 1 11  4  15 f 39.94677 15.39644 14.14775       17.67736  2.189054       
30.22853  20.36282       21.79205  41.82688 18.39040 45.38189 17.19014 
-3.555016      25.17355 
1 1 1 11  4  16 o 39.00219 15.30599 13.79343       17.71726  27.87528       
22.26243  -10.53216      29.26000  48.71232 17.56598 36.50185 16.85473 
12.21047       24.34431 
1 1 1 11  5  0  o 164.0641 5.547865 273.9409       18.50934  251.1454       
22.98081  316.0363       31.22904  157.0395 7.196232 176.0979 8.720736 
-19.05841      11.30650 
1 1 1 11  5  1  o 295.3475 4.341471 887.5187       26.07483  892.0742       
37.20115  883.1193       36.55803  296.0032 6.180284 294.5187 6.104056 
1.484558       8.686507 
1 1 1 11  5  2  o 363.1264 5.225761 1342.271       38.58858  1211.320       
64.83266  1414.114       48.02109  344.5329 9.253621 372.6161 6.337515 
-28.08316      11.21577 
1 1 1 11  5  3  o 85.36449 14.07209 76.77618       23.57664  191.4666       
45.21967  33.96001       27.62916  135.2349 16.80559 58.80832 19.66052 
76.42661       25.86434 
1 1 1 11  5  4  o 75.62315 10.04816 59.53828       15.06972  82.21770       
22.67850  41.60620       20.16572  88.53050 12.98283 62.27711 15.87570 
26.25339       20.50833 
1 1 1 11  5  5  o 154.8825 6.795719 244.8080       21.40372  230.4141       
25.90787  275.7521       37.98664  149.8623 8.536683 163.4296 11.50344 
-13.56732      14.32495 
1 1 1 11  5  6  o 211.9610 4.747059 457.7932       20.46124  420.3315       
28.77737  496.0954       29.09843  202.8504 6.976279 220.4437 6.491133 
-17.59331      9.529076 
1 1 1 11  5  7  o 194.3154 6.744705 385.8660       26.65149  0.000000       
0.000000  385.8660       26.65149  ?        ?        194.3154 6.744705 
0.000000       6.744705 
1 1 1 11  5  8  o 98.67696 7.371875 100.2319       14.68579  121.4229       
21.54438  81.83942       20.07145  108.1712 9.904188 88.28401 11.44973 
19.88722       15.13900 
1 1 1 11  5  9  o 106.5291 9.969746 118.0329       21.34635  168.0649       
29.16384  60.29652       31.32892  126.8810 11.42562 73.61806 20.27995 
53.26297       23.27706 
1 1 1 11  5  10 o 211.1958 7.066918 457.2817       30.35056  443.2791       
39.26313  478.0712       47.84127  207.3089 9.313558 214.4227 11.00898 
-7.113800      14.42013 
1 1 1 11  5  11 o 100.4291 9.283009 105.0110       18.74381  95.14432       
21.58294  135.2878       37.80761  94.97939 11.40245 111.2581 17.27072 
-16.27868      20.69525 
1 1 1 11  5  12 o 136.5222 8.271073 192.8505       22.85402  175.6546       
26.87530  237.7634       43.43375  129.6546 10.27748 149.1090 14.50798 
-19.45439      17.77943 
1 1 1 11  5  13 o 164.8341 7.580564 280.3387       25.40972  294.2802       
35.99646  266.4924       35.87341  167.4042 10.62918 159.0134 11.16475 
8.390762       15.41529 
1 1 1 11  5  14 o 34.54451 14.54275 3.660871       17.39523  -23.37012      
24.03799  33.37924       25.20459  30.82754 14.56828 54.91008 18.77599 
-24.08254      23.76494 
1 1 1 11  5  15 o 37.36381 15.28402 8.821130       18.45222  35.50407       
30.54920  -6.505460      23.15292  55.45647 20.48598 34.38037 15.53381 
21.07611       25.70943 
1 1 1 11  5  16 o 45.53506 15.92022 23.91902       18.16381  35.01746       
22.64981  3.919857       30.40461  53.05661 17.80064 41.21970 18.26838 
11.83691       25.50679 
1 1 1 11  6  0  o 613.7816 8.161567 3838.456       101.8682  3647.712       
139.2500  4058.060       149.4133  597.7320 11.45611 630.4117 11.65504 
-32.67969      16.34265 
1 1 1 11  6  1  o 486.2163 5.806842 2406.653       57.41441  2292.802       
97.09148  2467.873       71.19669  473.9926 10.07298 492.2106 7.113075 
-18.21799      12.33129 
1 1 1 11  6  2  o 297.6319 5.156814 901.7496       31.21134  912.3758       
58.71919  897.5651       36.84771  298.9445 9.659130 296.8713 6.103668 
2.073212       11.42600 
1 1 1 11  6  3  o 303.9827 5.338015 940.9971       32.99743  900.9100       
41.74446  1007.761       53.87241  297.2832 6.905214 314.2203 8.431032 
-16.93710      10.89790 
1 1 1 11  6  4  f 281.4784 6.282883 807.7207       35.96296  0.000000       
0.000000  807.7207       35.96296  ?        ?        281.4784 6.282883 
0.000000       6.282883 
1 1 1 11  6  5  o 32.27229 14.17813 -4.372677      17.93538  -14.13562      
21.73682  16.45155       31.74607  32.35440 14.78723 51.63473 20.41653 
-19.28033      25.20906 
1 1 1 11  6  6  o 142.0885 8.164684 207.2814       23.49204  207.2814       
23.49204  0.000000       0.000000  142.0885 8.164684 ?        ?        
0.000000       8.164684 
1 1 1 11  6  7  o 285.5475 4.558930 831.0017       26.47236  816.5197       
38.05619  844.5789       36.84817  282.6796 6.620328 287.5626 6.301329 
-4.882996      9.139775 
1 1 1 11  6  8  o 243.2983 4.648124 603.5462       22.99684  576.9089       
32.67151  629.7028       32.37540  237.4994 6.764806 248.2021 6.414431 
-10.70277      9.322420 
1 1 1 11  6  9  o 319.0417 6.553563 1041.522       42.51833  1081.898       
58.58139  996.5742       61.80831  324.3106 8.882741 310.8804 9.776920 
13.43024       13.20951 
1 1 1 11  6  10 o 92.79369 9.946928 89.97189       18.47717  81.07425       
21.51679  114.9599       36.05835  87.35168 12.46677 102.3050 17.98904 
-14.95332      21.88666 
1 1 1 11  6  11 o 58.46107 18.18937 37.06065       23.92699  53.02768       
32.97610  19.30817       34.77095  68.95734 21.33706 53.22090 21.26382 
15.73644       30.12342 
1 1 1 11  6  12 o 102.9497 10.32975 111.1909       21.33388  115.5120       
25.40144  100.8453       39.30417  104.3314 12.20325 93.72694 21.12692 
10.60448       24.39807 
1 1 1 11  6  13 o 46.80480 17.02598 20.86900       20.98088  0.4108207      
30.28128  39.75829       29.09703  42.92416 18.64797 60.11280 20.17562 
-17.18864      27.47367 
1 1 1 11  6  14 o 28.93743 13.14653 -8.029575      16.85808  29.59489       
23.76536  -46.13646      23.91723  52.29604 18.21447 26.03985 12.81733 
26.25619       22.27220 
1 1 1 11  6  15 o 106.7096 9.344954 121.6556       20.07396  59.80733       
31.93057  162.0752       25.81303  68.21206 20.97787 122.5535 10.45775 
-54.34147      23.44004 
1 1 1 11  7  0  o 158.1437 5.000622 254.4944       16.08153  247.7468       
23.22652  260.7078       22.28794  155.9606 7.323484 160.0056 6.849886 
-4.044983      10.02768 
1 1 1 11  7  1  o 412.5837 5.407927 1732.706       45.37266  1610.627       
76.55866  1798.799       56.33147  397.3303 9.475263 420.2663 6.591361 
-22.93604      11.54238 
1 1 1 11  7  2  o 277.3166 6.006664 783.2236       33.87355  0.000000       
0.000000  783.2236       33.87355  ?        ?        277.3166 6.006664 
0.000000       6.006664 
1 1 1 11  7  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  7  4  o 199.4569 7.183442 405.9497       29.13621  405.9497       
29.13621  0.000000       0.000000  199.4569 7.183442 ?        ?        
0.000000       7.183442 
1 1 1 11  7  5  o 107.5951 7.041443 118.6985       15.32158  137.3947       
23.78906  105.4456       20.02887  115.2928 10.25369 100.9517 9.883212 
14.34119       14.24135 
1 1 1 11  7  6  o 469.2187 5.102380 2244.409       48.68549  2190.957       
68.59083  2298.682       69.11553  462.9732 7.285490 474.2590 7.166525 
-11.28577      10.21946 
1 1 1 11  7  7  o 30.94921 12.82006 2.791758       13.19669  2.096648       
19.16262  3.418813       18.20040  36.18899 15.25087 35.99746 14.99522 
0.1915321      21.38799 
1 1 1 11  7  8  o 57.65322 12.23300 35.71458       13.89787  37.02586       
21.07668  34.70581       18.48623  58.52873 16.81734 56.62281 15.57004 
1.905922       22.91831 
1 1 1 11  7  9  o 74.84620 11.38315 59.30632       16.77940  46.30909       
19.66724  94.07381       32.16656  65.13107 15.13712 92.65900 17.71699 
-27.52794      23.30287 
1 1 1 11  7  10 o 165.0797 7.999029 280.1174       26.85235  293.8046       
35.60874  262.0730       40.88571  168.1115 10.46810 157.8529 12.84850 
10.25856       16.57302 
1 1 1 11  7  11 o 261.0064 5.358924 696.4003       28.44332  689.7021       
32.88603  716.2887       56.66740  259.5031 6.231855 262.6591 10.60936 
-3.156006      12.30425 
1 1 1 11  7  12 o 157.2654 7.537335 254.5199       24.10473  246.2126       
28.66193  274.5927       44.55320  153.9690 9.196227 160.5981 13.77563 
-6.629059      16.56317 
1 1 1 11  7  13 o 197.8965 5.856518 401.8663       23.56834  436.7116       
27.64324  309.1158       45.09986  206.0449 6.597444 170.0204 13.14652 
36.02451       14.70909 
1 1 1 11  7  14 o 101.8479 8.959290 109.3070       18.36689  93.09995       
25.74100  126.1163       26.21490  91.49543 14.30313 107.9372 12.15487 
-16.44177      18.77020 
1 1 1 11  7  15 o 20.67365 10.21417 -32.41471      15.67998  -55.47524      
21.89540  -8.138208      22.46525  22.61483 11.31715 33.22816 15.12681 
-10.61334      18.89175 
1 1 1 11  8  0  o 329.8521 4.314322 1106.963       28.93898  1101.638       
40.95941  1112.271       40.89246  328.9528 6.123063 330.5391 6.083716 
-1.586365      8.631541 
1 1 1 11  8  1  o 158.5360 5.335489 255.8377       17.20100  293.8627       
34.45975  243.2192       19.85092  169.3733 10.04992 154.5421 6.316586 
14.83116       11.87014 
1 1 1 11  8  2  o 498.4058 7.140921 2531.865       72.37502  0.000000       
0.000000  2531.865       72.37502  ?        ?        498.4058 7.140921 
0.000000       7.140921 
1 1 1 11  8  3  f 361.9162 4.675256 1333.496       34.40844  1336.415       
50.06576  1330.883       47.36799  362.0547 6.800098 361.3539 6.446155 
0.7008362      9.369859 
1 1 1 11  8  4  o 230.0659 5.301932 539.2653       24.80492  539.1761       
32.13421  539.3967       39.01835  229.8892 6.873814 229.7511 8.351410 
0.1380157      10.81644 
1 1 1 11  8  5  o 195.8853 4.917825 390.9634       19.58963  409.0341       
29.71070  377.0654       26.05560  200.1088 7.301217 192.2035 6.666352 
7.905319       9.886760 
1 1 1 11  8  6  o 79.00939 9.207031 64.86730       14.51535  54.00845       
21.51891  73.93308       19.66214  70.71745 15.40012 83.87688 11.85813 
-13.15942      19.43654 
1 1 1 11  8  7  o 130.4400 6.039099 173.7457       16.01896  183.8245       
24.09038  165.7570       21.44768  133.5415 8.922424 126.8882 8.358851 
6.653290       12.22620 
1 1 1 11  8  8  o 118.0427 6.633502 142.9579       15.85877  157.5997       
24.16726  131.8849       21.01669  123.3510 9.713180 112.8801 9.236676 
10.47085       13.40381 
1 1 1 11  8  9  o 302.0515 5.556253 932.0599       34.12828  967.8267       
42.08198  863.3331       58.33364  307.4524 6.730803 289.2092 9.918719 
18.24316       11.98685 
1 1 1 11  8  10 o 118.3693 10.29111 146.1196       24.52502  141.7485       
32.83093  151.6385       36.89009  115.2462 14.31745 118.7215 15.66258 
-3.475342      21.22041 
1 1 1 11  8  11 o 78.22492 12.13128 65.32783       18.67265  68.61846       
21.58578  55.54475       37.21910  79.68643 13.82194 70.58044 22.77798 
9.105988       26.64362 
1 1 1 11  8  12 o 115.4904 17.45136 147.1429       39.70699  0.000000       
0.000000  147.1429       39.70699  ?        ?        115.4904 17.45136 
0.000000       17.45136 
1 1 1 11  8  13 o 78.50169 12.08959 66.49844       18.67991  81.67705       
21.81238  24.74206       36.17833  86.91670 12.71717 54.88393 21.76542 
32.03277       25.20833 
1 1 1 11  8  14 o 49.10061 15.21849 26.95166       16.76743  80.61138       
24.73011  -18.70456      22.81139  84.61121 14.91815 30.90561 14.47480 
53.70559       20.78631 
1 1 1 11  8  15 o 68.01300 12.57549 52.21394       16.75211  21.56688       
23.18898  85.66678       24.22723  46.20314 17.67707 86.43484 14.28248 
-40.23170      22.72593 
1 1 1 11  9  0  o 271.9894 4.241549 752.6666       23.45999  728.6552       
32.86897  777.6010       33.49476  267.5280 6.041788 276.3721 5.959795 
-8.844116      8.486599 
1 1 1 11  9  1  o 160.2388 6.026921 261.4616       19.63878  0.000000       
0.000000  261.4616       19.63878  ?        ?        160.2388 6.026921 
0.000000       6.026921 
1 1 1 11  9  2  o 290.5999 4.971883 859.7037       29.38108  1002.351       
57.48473  809.2621       34.18334  313.3410 9.021606 281.8694 5.963690 
31.47153       10.81457 
1 1 1 11  9  3  o 245.6817 6.249543 615.1812       31.22285  0.000000       
0.000000  615.1812       31.22285  ?        ?        245.6817 6.249543 
0.000000       6.249543 
1 1 1 11  9  4  o 185.2626 5.766712 349.8456       21.72538  330.6547       
28.66383  375.7534       33.30441  179.9209 7.834318 191.7159 8.542643 
-11.79501      11.59109 
1 1 1 11  9  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  9  6  o 238.1426 5.581368 578.5302       27.02896  564.5731       
32.53419  609.6257       48.56154  235.0644 6.806155 243.6255 9.802081 
-8.561142      11.93334 
1 1 1 11  9  7  o 108.3366 6.978164 120.5299       15.29154  126.2912       
22.78772  115.8104       20.62471  110.2842 10.27944 105.6921 9.704468 
4.592087       14.13660 
1 1 1 11  9  8  o 126.4202 11.74789 166.9268       29.85603  166.9268       
29.85603  0.000000       0.000000  126.4202 11.74789 ?        ?        
0.000000       11.74789 
1 1 1 11  9  9  o 243.9444 5.177354 607.6272       25.68327  603.9673       
30.03726  617.5781       49.52898  243.0151 6.078209 244.5463 9.959714 
-1.531219      11.66793 
1 1 1 11  9  10 o 45.85362 17.25038 17.57360       21.85620  -21.39084      
29.53424  64.74568       32.49632  36.46310 16.87075 75.68304 20.57436 
-39.21994      26.60689 
1 1 1 11  9  11 o 218.8180 6.599486 490.9612       29.36598  490.9612       
29.36598  0.000000       0.000000  218.8180 6.599486 ?        ?        
0.000000       6.599486 
1 1 1 11  9  12 o 243.1567 6.099912 606.1791       30.16207  628.5378       
37.02562  562.0698       52.00490  247.1320 7.367531 231.9788 11.02414 
15.15321       13.25942 
1 1 1 11  9  13 o 87.21770 10.63302 80.89188       18.46836  90.75340       
21.62708  54.33388       35.49144  91.99119 11.83566 68.25659 22.25953 
23.73460       25.21050 
1 1 1 11  9  14 o 103.9530 8.163700 113.3617       17.11860  107.2609       
19.23105  136.6445       37.56892  100.5482 9.518703 108.6522 17.60595 
-8.103958      20.01438 
1 1 1 11  9  15 o 57.59557 14.32204 38.83773       16.70361  16.23184       
22.89836  64.54766       24.41991  43.21540 17.25951 73.07602 16.78630 
-29.86061      24.07634 
1 1 1 11  10 0  o 442.9726 6.689106 1998.481       60.25546  0.000000       
0.000000  1998.481       60.25546  ?        ?        442.9726 6.689106 
0.000000       6.689106 
1 1 1 11  10 1  o 367.4501 6.241248 1375.170       46.63599  0.000000       
0.000000  1375.170       46.63599  ?        ?        367.4501 6.241248 
0.000000       6.241248 
1 1 1 11  10 2  o 62.22086 11.04418 40.78227       13.46220  3.620914       
27.56962  52.41698       15.42633  43.84886 18.37597 70.73718 11.08863 
-26.88832      21.46239 
1 1 1 11  10 3  o 117.7563 7.251275 141.9980       17.27957  186.9186       
31.08112  121.9029       20.78832  134.5415 11.46980 108.7738 9.493323 
25.76779       14.88891 
1 1 1 11  10 4  o 248.4119 5.243008 628.7808       26.48527  694.5023       
35.75261  548.8516       39.42821  260.8891 6.739077 231.7023 8.368071 
29.18678       10.74429 
1 1 1 11  10 5  o 286.1815 4.481575 834.2928       26.08097  860.9964       
38.81967  812.3222       35.21181  290.4126 6.573324 282.1571 6.136857 
8.255493       8.992752 
1 1 1 11  10 6  o 252.4977 9.360376 654.4546       48.06203  0.000000       
0.000000  654.4546       48.06203  ?        ?        252.4977 9.360376 
0.000000       9.360376 
1 1 1 11  10 7  o 175.0458 5.087946 312.5541       18.11113  285.2047       
26.94600  335.0901       24.46009  166.8264 7.942878 181.0411 6.643996 
-14.21469      10.35529 
1 1 1 11  10 8  o 263.8344 6.407647 711.8757       34.37806  638.9852       
45.11678  812.7875       53.08522  249.2933 8.899716 281.0205 9.289325 
-31.72728      12.86454 
1 1 1 11  10 9  o 135.6491 6.776342 188.4849       18.69234  209.6834       
22.36401  139.3502       34.04802  142.7113 7.735075 114.1251 15.03714 
28.58624       16.90997 
1 1 1 11  10 10 o 118.4212 7.777030 144.7543       18.62404  161.2481       
22.26259  106.2986       33.99338  124.7505 8.832813 98.23244 17.66674 
26.51802       19.75177 
1 1 1 11  10 11 o 260.2310 6.244087 693.8843       33.04300  693.8843       
33.04300  0.000000       0.000000  260.2310 6.244087 ?        ?        
0.000000       6.244087 
1 1 1 11  10 12 o 38.83563 15.41729 9.728580       18.16987  12.89017       
21.38715  1.527009       34.44678  42.68226 16.79542 46.12026 19.96271 
-3.438000      26.08823 
1 1 1 11  10 13 o 59.55027 14.88278 39.83153       17.97253  25.57112       
20.88126  80.58965       35.30188  49.47860 17.08253 82.30035 21.01871 
-32.82175      27.08503 
1 1 1 11  10 14 o 51.38498 14.57088 30.04660       15.92618  21.95279       
17.88903  60.97625       34.97019  45.49981 15.80545 69.82699 22.03146 
-24.32718      27.11452 
1 1 1 11  10 15 o 54.40945 14.44161 34.86177       16.24461  38.43843       
23.14123  31.38704       22.80908  55.93606 17.95127 51.48648 17.84924 
4.449577       25.31488 
1 1 1 11  11 0  o 265.8878 4.232012 719.3262       22.88214  696.0084       
32.17939  743.1757       32.54416  261.4459 6.052637 270.1678 5.923632 
-8.721893      8.468992 
1 1 1 11  11 1  o 83.31662 9.998578 71.91222       16.60196  0.000000       
0.000000  71.91222       16.60196  ?        ?        83.31662 9.998578 
0.000000       9.998578 
1 1 1 11  11 2  o 400.1248 5.288314 1630.390       43.02928  1579.887       
74.74759  1655.420       52.62309  393.2269 9.347653 403.0353 6.420692 
-9.808411      11.34037 
1 1 1 11  11 3  o 101.0315 6.649401 104.5439       13.58492  82.20815       
29.15413  110.7386       15.35364  87.64622 16.97066 103.9183 7.312141 
-16.27206      18.47893 
1 1 1 11  11 4  o 168.6404 5.186946 289.8011       17.78790  298.4654       
27.11658  283.2567       23.56703  170.9058 7.802371 166.5792 6.957170 
4.326614       10.45367 
1 1 1 11  11 5  o 52.96523 12.49519 30.09789       13.24044  9.425683       
20.21183  45.63771       17.52408  40.80497 16.24113 65.23546 13.64839 
-24.43049      21.21445 
1 1 1 11  11 6  o 161.4645 11.54532 270.3872       37.65821  0.000000       
0.000000  270.3872       37.65821  ?        ?        161.4645 11.54532 
0.000000       11.54532 
1 1 1 11  11 7  o 121.0716 6.204568 150.1663       15.22452  160.9989       
23.49516  142.3257       19.98880  124.8020 9.325119 117.4840 8.422642 
7.318024       12.56578 
1 1 1 11  11 8  o 137.6527 8.208653 195.2265       22.87328  183.6607       
29.84456  211.6915       35.60889  132.7539 11.15870 142.1868 12.44058 
-9.432816      16.71181 
1 1 1 11  11 9  f 25.94388 12.13513 -15.06256      15.94372  -6.376984      
19.27387  -33.88835      28.37569  32.45691 14.45618 32.65018 15.54504 
-0.1932678     21.22804 
1 1 1 11  11 10 o 105.2448 8.755771 114.9819       18.56893  133.4959       
22.34921  73.71189       33.36789  113.1724 9.808125 80.59006 20.35518 
32.58232       22.59497 
1 1 1 11  11 11 o 150.1758 8.139091 233.0503       24.76296  233.0503       
24.76296  0.000000       0.000000  150.1758 8.139091 ?        ?        
0.000000       8.139091 
1 1 1 11  11 12 o 87.98752 10.94874 82.09519       19.16641  75.62694       
22.41592  99.68021       36.96020  83.45340 13.68309 93.15011 20.10157 
-9.696709      24.31667 
1 1 1 11  11 13 o 225.2550 6.152822 521.9338       28.18384  520.0046       
34.06551  526.1194       50.17616  224.2249 7.471016 223.3052 11.04961 
0.9196777      13.33829 
1 1 1 11  11 14 o 87.43107 10.44926 82.30087       18.21007  84.24180       
21.33007  77.08363       34.97097  87.55765 12.32051 78.28972 21.36854 
9.267929       24.66596 
1 1 1 11  11 15 o 72.78625 9.866529 57.80671       14.22737  63.88364       
15.80917  31.91673       32.63119  76.25845 10.47097 53.01469 20.78202 
23.24375       23.27088 
1 1 1 11  12 0  o 760.4891 9.584534 5903.224       148.2229  0.000000       
0.000000  5903.224       148.2229  ?        ?        760.4891 9.584534 
0.000000       9.584534 
1 1 1 11  12 1  o 299.0353 4.346366 910.0686       26.43019  766.4143       
50.08773  965.5039       31.11467  273.9999 8.989376 307.9640 4.968369 
-33.96414      10.27101 
1 1 1 11  12 2  o 471.7398 4.967667 2266.021       47.65477  2374.086       
99.61581  2233.950       54.26724  481.7318 10.16884 468.2812 5.698750 
13.45062       11.65681 
1 1 1 11  12 3  o 112.3626 6.164906 129.1066       14.03257  116.2577       
29.95627  132.7187       15.88298  105.2205 14.37643 113.8483 6.892959 
-8.627785      15.94348 
1 1 1 11  12 4  o 215.1633 4.671053 471.5988       20.43781  446.3775       
30.91031  491.1901       27.24271  209.0520 7.271060 219.4413 6.104927 
-10.38936      9.494126 
1 1 1 11  12 5  o 51.38920 12.75155 28.35669       13.26223  21.23171       
21.49313  32.73742       16.85316  48.34521 17.27865 55.17757 14.74018 
-6.832363      22.71177 
1 1 1 11  12 6  o 204.4965 5.831684 426.9008       24.25110  420.3446       
30.06022  439.1218       41.04148  202.6926 7.292943 206.6615 9.765891 
-3.968887      12.18850 
1 1 1 11  12 7  o 35.55556 13.34712 9.947659       13.07052  12.55275       
20.41930  8.139319       17.01255  42.45441 16.49563 37.48436 14.90641 
4.970055       22.23301 
1 1 1 11  12 8  o 218.1262 5.285438 485.8088       23.44445  502.1230       
28.23103  449.5562       42.08352  221.5699 6.265627 208.7283 9.914694 
12.84160       11.72857 
1 1 1 11  12 9  f 174.2642 7.484341 311.7491       26.52242  278.2026       
35.13320  356.1976       40.44113  163.5073 10.62407 185.0262 10.79514 
-21.51897      15.14615 
1 1 1 11  12 10 o 120.5121 8.059120 150.1413       19.63626  134.8106       
23.32321  187.4621       36.39018  113.5910 10.20595 132.8071 13.66971 
-19.21615      17.05938 
1 1 1 11  12 11 o 256.1946 8.721992 677.9827       45.43987  677.9827       
45.43987  0.000000       0.000000  256.1946 8.721992 ?        ?        
0.000000       8.721992 
1 1 1 11  12 12 o 96.06873 9.931004 97.07858       19.12108  98.44941       
22.50360  93.51883       36.26342  96.12420 11.75755 89.90926 20.31304 
6.214935       23.47040 
1 1 1 11  12 13 f 132.2144 7.244697 181.2593       19.40411  180.5504       
22.34177  183.4358       39.14751  131.5190 8.397500 128.8907 15.23023 
2.628311       17.39189 
1 1 1 11  12 14 o 36.81898 14.62854 9.950721       16.37050  10.09081       
18.94725  9.538184       32.51435  38.54894 15.59206 45.76716 19.59691 
-7.218224      25.04298 
1 1 1 11  12 15 o 33.08507 13.29770 7.796375       13.68724  1.565379       
14.91856  40.93733       34.40573  30.56659 13.18398 56.88690 21.58725 
-26.32031      25.29480 
1 1 1 11  13 0  o 320.7547 4.980647 1047.264       32.48704  0.000000       
0.000000  1047.264       32.48704  ?        ?        320.7547 4.980647 
0.000000       4.980647 
1 1 1 11  13 1  o 265.9105 4.330519 719.6595       23.41676  777.1168       
48.87141  702.5370       26.67869  275.9018 8.710617 262.6848 4.994341 
13.21704       10.04083 
1 1 1 11  13 2  o 186.7161 4.614282 354.9556       17.52013  380.9646       
38.29865  348.0722       19.70259  192.7325 9.804201 184.8605 5.241165 
7.872009       11.11720 
1 1 1 11  13 3  o 150.4419 4.966536 230.5567       15.19406  270.9373       
33.34913  219.9789       17.06849  162.2894 10.15627 146.9055 5.713543 
15.38385       11.65309 
1 1 1 11  13 4  o 138.4219 7.266188 196.2841       20.38178  0.000000       
0.000000  196.2841       20.38178  ?        ?        138.4219 7.266188 
0.000000       7.266188 
1 1 1 11  13 5  o 99.41780 8.089035 101.8511       16.21176  98.58025       
22.15695  105.6196       23.78311  97.15111 11.43416 100.5050 11.86552 
-3.353912      16.47818 
1 1 1 11  13 6  o 219.4352 4.655005 490.8892       20.77198  520.0828       
32.36805  470.4477       27.08496  225.4791 7.059254 214.5974 6.206581 
10.88168       9.399718 
1 1 1 11  13 7  o 208.8577 4.808241 444.9436       20.42153  420.3030       
30.08221  466.0056       27.81200  202.5720 7.302623 213.4810 6.406512 
-10.90901      9.714510 
1 1 1 11  13 8  o 83.83852 10.04575 73.57926       16.78577  76.46354       
19.75703  66.09451       31.82671  85.06051 11.73444 76.82047 20.13045 
8.240044       23.30090 
1 1 1 11  13 9  o 172.8092 7.476371 306.6556       26.27296  280.9035       
35.41084  338.1923       39.18655  164.2377 10.66023 180.2371 10.74030 
-15.99939      15.13257 
1 1 1 11  13 10 o 197.5282 5.809582 399.3465       23.33595  419.4410       
28.22625  355.9494       41.48059  202.1730 6.865604 184.5725 11.10330 
17.60043       13.05449 
1 1 1 11  13 11 o 88.84795 11.10682 83.56620       19.62886  87.40054       
22.36605  70.71399       40.94805  90.43726 12.49538 77.88704 23.72013 
12.55022       26.81005 
1 1 1 11  13 12 f 59.06638 14.70940 38.85269       17.60086  42.10955       
20.62151  30.11396       33.77889  61.18598 16.28602 56.51175 21.40291 
4.674229       26.89459 
1 1 1 11  13 13 o 149.0918 8.673650 232.4939       26.18341  177.5201       
32.57881  332.7804       44.00264  128.1729 12.66503 176.0356 12.37070 
-47.86270      17.70415 
1 1 1 11  13 14 o 63.18888 13.70080 45.57571       17.09775  29.86454       
19.56017  96.45691       35.20035  50.91658 16.52108 88.08807 20.09517 
-37.17149      26.01464 
1 1 1 11  13 15 o 52.95721 16.21467 34.30378       19.10061  40.69223       
23.04065  20.26653       34.15373  56.75786 17.88039 48.25892 20.35014 
8.498936       27.08941 
1 1 1 11  14 0  o 81.42059 8.052044 68.27421       13.15716  42.92815       
28.90977  74.89549       14.77612  64.43220 19.98507 85.23615 8.644400 
-20.80396      21.77449 
1 1 1 11  14 1  o 334.6442 4.366169 1139.895       29.71223  1130.436       
60.23402  1142.937       34.15707  332.6768 8.903646 335.0318 5.013524 
-2.355042      10.21814 
1 1 1 11  14 2  o 276.9067 4.249238 780.5931       23.92742  821.3484       
51.33960  769.2841       27.04421  283.4505 8.906843 274.8432 4.838803 
8.607300       10.13636 
1 1 1 11  14 3  o 47.83596 11.98556 24.45332       11.63515  16.88170       
24.62815  26.62881       13.20126  47.73804 18.22851 49.91016 12.90980 
-2.172115      22.33700 
1 1 1 11  14 4  o 284.2875 5.994164 824.5793       34.65276  0.000000       
0.000000  824.5793       34.65276  ?        ?        284.2875 5.994164 
0.000000       5.994164 
1 1 1 11  14 5  o 97.02630 7.929637 97.02040       15.50892  102.2857       
21.47695  91.28299       22.41923  99.08483 10.83555 93.24950 12.10866 
5.835335       16.24896 
1 1 1 11  14 6  o 191.5153 4.814235 374.0315       18.74917  420.8315       
29.73267  343.1364       24.15773  202.7731 7.210612 183.2159 6.483977 
19.55721       9.697159 
1 1 1 11  14 7  o 251.6250 4.998408 646.0742       25.57625  555.7082       
41.56489  701.1396       32.44617  232.4978 8.791366 261.9019 6.092188 
-29.40414      10.69593 
1 1 1 11  14 8  o 202.4080 5.437590 418.5639       22.38131  446.2607       
26.95744  357.1149       40.15325  208.8160 6.348388 185.4003 10.69564 
23.41573       12.43779 
1 1 1 11  14 9  o 186.0545 7.151310 355.2825       27.05684  380.3604       
37.53057  328.1433       39.04251  191.5404 9.666694 177.4138 10.87425 
14.12662       14.54972 
1 1 1 11  14 10 o 147.8442 6.717360 224.2731       20.19548  195.7502       
23.69538  300.0042       38.61034  137.4946 8.516662 169.2593 11.28223 
-31.76466      14.13585 
1 1 1 11  14 11 o 213.8143 5.883864 468.4374       25.58296  476.5011       
30.30537  448.4409       47.72301  215.3289 6.920950 206.7365 11.39567 
8.592438       13.33270 
1 1 1 11  14 12 o 31.55042 13.90391 -3.326267      17.36945  8.705144       
20.39872  -35.05304      33.12512  39.64497 16.12664 35.48290 16.86560 
4.162064       23.33488 
1 1 1 11  14 13 o 73.65098 13.74664 60.41208       19.83134  60.80635       
23.31063  59.37907       37.73207  72.80039 16.16688 69.62621 22.96337 
3.174179       28.08352 
1 1 1 11  14 14 o 28.49637 12.89089 -6.042464      16.00061  -6.188852      
18.12353  -5.525115      34.07078  30.39612 13.73765 41.51881 18.79366 
-11.12269      23.27928 
1 1 1 11  14 15 o 58.90945 15.60630 42.54952       18.99380  27.98039       
22.51673  78.49091       35.36600  48.59368 17.64404 74.69049 21.87868 
-26.09681      28.10674 
1 1 1 11  15 0  f 301.6608 4.887116 926.4332       29.97941  887.7028       
53.23348  944.4222       36.27965  294.8552 8.878194 304.4905 5.859195 
-9.635254      10.63732 
1 1 1 11  15 1  o 37.18586 12.98292 12.64982       12.07761  -2.939440      
26.67340  16.67030       13.54579  40.58653 17.56698 41.36104 13.76452 
-0.7745094     22.31728 
1 1 1 11  15 2  o 138.6207 6.346572 195.9598       17.89034  192.9213       
30.55009  197.5457       22.07063  136.6900 11.08618 138.8530 7.848561 
-2.163071      13.58320 
1 1 1 11  15 3  o 187.3725 4.429369 357.5800       16.87715  402.6843       
35.98708  344.8626       19.10888  198.3233 8.923217 183.9587 5.108148 
14.36458       10.28188 
1 1 1 11  15 4  f 159.6883 5.170704 259.9852       16.79091  272.4468       
27.23993  252.3488       21.32378  162.9247 8.248693 157.1839 6.671214 
5.740814       10.60877 
1 1 1 11  15 5  o 318.6917 8.132070 1040.698       52.70154  0.000000       
0.000000  1040.698       52.70154  ?        ?        318.6917 8.132070 
0.000000       8.132070 
1 1 1 11  15 6  o 40.28812 13.33245 16.16314       12.71524  -7.864894      
20.09912  32.19629       16.41827  32.79293 14.67255 54.55367 14.53703 
-21.76074      20.65451 
1 1 1 11  15 7  o 305.5770 6.320573 955.1018       39.27612  908.7845       
52.33894  1014.805       59.42258  297.3031 8.657131 313.8950 9.309272 
-16.59183      12.71253 
1 1 1 11  15 8  o 101.1692 8.564700 106.0857       17.45481  106.7257       
21.51696  104.8542       29.84992  100.9613 10.64056 98.55669 15.39745 
2.404594       18.71638 
1 1 1 11  15 9  o 47.69919 15.66623 23.52046       17.56852  41.59853       
21.86315  -9.429169      29.51632  61.31047 16.96281 39.73035 17.77832 
21.58012       24.57246 
1 1 1 11  15 10 o 56.14213 15.42664 34.72351       18.15499  22.41196       
21.80346  62.55811       32.78398  48.45457 17.39389 73.96044 20.88217 
-25.50587      27.17743 
1 1 1 11  15 11 o 46.29612 15.80036 21.76055       17.84842  34.42329       
21.56200  -5.802269      31.81171  55.97924 17.24241 42.13593 18.67980 
13.84332       25.42117 
1 1 1 11  15 12 o 147.4750 8.883810 226.9045       26.51778  176.9100       
34.74302  296.6739       41.04299  127.9719 13.55707 166.9124 12.17602 
-38.94051      18.22223 
1 1 1 11  15 13 o 120.7740 8.655945 153.2373       21.11785  143.0105       
24.96763  178.9436       39.58468  115.6604 10.73804 126.1383 15.77735 
-10.47789      19.08482 
1 1 1 11  15 14 o 28.63586 12.62432 -1.781221      14.33300  11.32415       
15.93178  -57.42257      32.82754  37.04716 14.52163 30.31693 14.94070 
6.730230       20.83512 
1 1 1 11  15 15 o 27.17425 12.79303 -14.46345      18.21809  2.389262       
22.16560  -49.55046      31.98289  35.87587 15.76149 30.24444 14.87434 
5.631432       21.67188 
1 1 1 11  16 0  o 568.6960 5.480540 3294.154       63.38040  3344.653       
130.2593  3278.490       72.54743  571.4462 11.20939 567.1846 6.289935 
4.261536       12.85355 
1 1 1 11  16 1  o 298.7419 4.208993 908.5211       25.56971  846.3262       
51.16762  929.2222       29.51994  287.7634 8.743962 302.0712 4.805677 
-14.30786      9.977546 
1 1 1 11  16 2  o 242.3992 4.202785 598.2660       20.71666  611.3112       
43.33388  594.4012       23.58665  244.4612 8.716984 241.5631 4.801580 
2.898071       9.951933 
1 1 1 11  16 3  o 98.41990 6.324432 99.25916       12.59071  122.5946       
26.52588  92.47272       14.30486  108.3906 12.24941 94.82965 7.478716 
13.56100       14.35197 
1 1 1 11  16 4  f 257.4770 4.473095 675.5166       23.42060  684.2739       
36.43678  669.3511       30.57295  258.7512 6.924784 256.0999 5.870520 
2.651276       9.078306 
1 1 1 11  16 5  o 155.5801 5.996356 247.2051       18.97112  262.4089       
26.54988  231.3442       27.11754  159.7811 8.198807 149.8423 8.940196 
9.938766       12.13044 
1 1 1 11  16 6  o 196.1740 4.842281 392.5705       19.31714  400.7279       
30.85155  387.3103       24.77455  197.7170 7.673290 194.6433 6.259145 
3.073700       9.902337 
1 1 1 11  16 7  o 257.1944 6.365858 676.8438       33.29430  683.6979       
46.03852  669.3289       48.20679  257.7609 8.783202 254.8533 9.301791 
2.907623       12.79328 
1 1 1 11  16 8  o 146.0599 6.466075 218.5198       19.20539  219.5782       
23.32734  216.2930       33.83571  145.9454 7.889316 143.6834 11.68136 
2.261993       14.09594 
1 1 1 11  16 9  o 74.20820 11.99312 58.91311       17.48090  63.56232       
21.18637  48.99751       30.94043  76.47710 14.14400 66.35525 20.69044 
10.12185       25.06286 
1 1 1 11  16 10 o 208.8185 5.730493 446.4963       24.33394  448.8686       
29.36810  441.3003       43.46400  209.0402 6.908672 205.6945 10.42502 
3.345673       12.50643 
1 1 1 11  16 11 o 168.3517 8.273456 292.9955       28.32408  289.7952       
39.45371  296.3991       40.68737  165.6585 11.78870 167.4151 12.03150 
-1.756546      16.84430 
1 1 1 11  16 12 o 67.64467 13.77195 50.73276       18.30046  45.39204       
21.30831  65.74602       35.72619  63.11108 16.43937 73.97449 22.07325 
-10.86342      27.52238 
1 1 1 11  16 13 o 64.22106 14.84740 47.22070       19.00246  52.73437       
22.88836  34.99004       34.08939  67.05917 16.81511 56.93899 21.51632 
10.12019       27.30751 
1 1 1 11  16 14 o 28.53817 12.65621 -2.411714      14.61614  -8.702554      
16.22654  24.64586       33.65239  27.55187 12.66001 50.58033 20.65973 
-23.02846      24.23015 
1 1 1 11  16 15 o 27.25153 12.20341 -2.913867      13.93477  -4.835113      
15.49413  5.215602       31.87181  27.89918 12.64713 41.61570 18.55858 
-13.71652      22.45820 
1 1 1 11  17 0  o 171.5552 4.544169 299.6411       15.85294  363.2764       
34.80648  282.9852       17.80716  188.5245 9.079059 166.6820 5.253568 
21.84247       10.48948 
1 1 1 11  17 1  o 93.66279 6.690364 89.94483       12.65904  116.3140       
27.33095  82.74272       14.28356  105.5313 13.01122 89.65803 7.915499 
15.87331       15.22980 
1 1 1 11  17 2  o 185.4350 4.369359 350.2015       16.47634  320.8739       
33.86018  359.3000       18.85973  176.7204 9.456461 187.7856 4.938804 
-11.06520      10.66848 
1 1 1 11  17 3  o 191.7008 4.297194 374.3420       16.75176  331.1419       
32.13420  390.4632       19.63013  179.7750 8.789956 195.7281 4.931949 
-15.95306      10.07906 
1 1 1 11  17 4  o 31.06618 12.44183 4.968670       11.93550  7.149725       
20.07662  3.776470       14.84334  39.42334 16.01340 33.14741 13.65082 
6.275928       21.04219 
1 1 1 11  17 5  o 249.6894 4.486335 635.5649       22.77945  667.2990       
35.37304  613.0799       29.77534  255.4114 6.810526 244.9846 5.976771 
10.42679       9.061184 
1 1 1 11  17 6  o 172.3405 6.379784 303.7847       22.35861  0.000000       
0.000000  303.7847       22.35861  ?        ?        172.3405 6.379784 
0.000000       6.379784 
1 1 1 11  17 7  o 273.3916 5.586580 763.8522       31.05865  734.6003       
38.24407  820.5176       53.22866  267.7097 7.025035 282.0901 9.279106 
-14.38043      11.63842 
1 1 1 11  17 8  o 104.2542 10.89239 114.0813       22.75138  99.75353       
32.21030  128.3470       32.14043  95.19714 17.27492 109.2663 14.84952 
-14.06915      22.78006 
1 1 1 11  17 9  o 109.4295 8.312050 124.1662       18.35846  148.3723       
22.53389  76.38548       31.65925  119.3817 9.357029 82.10136 19.28987 
37.28039       21.43952 
1 1 1 11  17 10 o 35.79408 14.89797 4.309576       17.94356  -2.788330      
21.77367  19.33262       31.67710  35.83237 15.68482 51.33430 20.36370 
-15.50194      25.70396 
1 1 1 11  17 11 f 73.28112 13.38594 58.65651       19.21262  52.32748       
23.00123  73.26399       34.94382  68.06033 16.73584 78.97322 21.27937 
-10.91289      27.07212 
1 1 1 11  17 12 o 95.41444 9.700761 96.26812       18.56047  82.85809       
21.57373  134.4674       36.41145  87.34402 12.50291 109.1018 16.96276 
-21.75776      21.07269 
1 1 1 11  17 13 o 34.38992 14.66602 2.889803       18.07849  8.783549       
21.27445  -12.42590      34.29502  39.41356 16.29786 40.34410 18.48887 
-0.9305458     24.64667 
1 1 1 11  17 14 o 75.14056 10.15477 61.85320       15.11910  61.48825       
16.57205  63.66489       36.92392  74.28957 11.32822 67.65488 22.72766 
6.634689       25.39439 
1 1 1 11  18 0  o 121.6565 5.439114 150.7975       13.45597  210.1614       
30.44902  136.3907       15.00015  142.8295 10.55827 115.4759 6.413068 
27.35364       12.35332 
1 1 1 11  18 1  o 260.0238 4.107563 688.3984       21.71945  644.4077       
43.60258  702.9158       25.04820  251.0105 8.542184 262.6970 4.688888 
-11.68652      9.744464 
1 1 1 11  18 2  o 37.58215 12.19528 14.10913       10.65802  28.76831       
23.49195  10.30975       11.95971  53.89897 18.12832 35.10152 12.84155 
18.79745       22.21579 
1 1 1 11  18 3  o 167.1462 4.434628 284.6609       15.07319  239.4326       
28.85574  301.6332       17.67654  152.4638 9.352268 172.0030 5.053705 
-19.53918      10.63037 
1 1 1 11  18 4  o 94.71869 6.864138 92.21814       13.13157  80.84544       
20.94793  99.58019       16.85423  87.61423 12.07864 98.16803 8.527536 
-10.55380      14.78555 
1 1 1 11  18 5  o 174.4543 4.891221 310.4636       17.35203  330.2114       
27.37216  297.1956       22.43631  179.5202 7.497978 170.4762 6.471968 
9.044083       9.904850 
1 1 1 11  18 6  o 137.8884 5.839928 194.3313       16.37520  185.2637       
28.40220  198.8462       20.04150  133.4545 10.55173 139.1296 7.107402 
-5.675064      12.72220 
1 1 1 11  18 7  o 105.4935 8.957320 115.5086       19.03398  118.1805       
24.44659  111.3954       30.33169  106.0223 11.52447 101.7100 15.12543 
4.312347       19.01557 
1 1 1 11  18 8  o 166.8726 7.690680 286.3893       26.09763  249.5237       
36.12735  326.6211       37.74074  154.2477 11.60270 177.0386 10.53064 
-22.79089      15.66898 
1 1 1 11  18 9  o 236.1566 5.376442 570.5587       25.81942  571.7053       
31.07396  568.0018       46.40290  236.0677 6.473043 233.9851 9.752267 
2.082657       11.70500 
1 1 1 11  18 10 o 188.9050 6.183137 366.0643       23.75220  391.3506       
29.07063  315.2847       41.19604  194.9715 7.332162 172.9563 11.78320 
22.01520       13.87820 
1 1 1 11  18 11 o 148.5493 7.104051 227.4517       21.45993  201.8039       
25.67576  286.8908       39.08722  139.0328 9.132225 164.5349 11.75972 
-25.50211      14.88920 
1 1 1 11  18 12 o 107.6266 8.802247 121.6731       19.09622  86.47608       
22.19336  222.0421       37.47745  89.07349 12.60435 143.1479 13.01685 
-54.07438      18.11928 
1 1 1 11  18 13 o 43.22407 16.36061 17.87555       19.73034  23.84024       
24.25995  6.222523       33.90903  48.24593 18.16958 45.15116 19.67365 
3.094765       26.78033 
1 1 1 11  18 14 o 28.21431 13.11491 -11.42224      18.16155  -28.25694      
21.28679  33.61790       34.81828  26.53108 12.84323 53.46598 21.30518 
-26.93490      24.87688 
1 1 1 11  19 0  o 174.9388 4.475629 311.6497       15.92178  303.1548       
34.24437  313.9925       17.98383  171.7527 9.845781 175.5589 5.037417 
-3.806229      11.05961 
1 1 1 11  19 1  o 100.6214 6.021959 103.6403       12.26534  129.7595       
25.32500  95.63628       14.01925  111.7906 11.29513 96.49931 7.195866 
15.29124       13.39255 
1 1 1 11  19 2  o 247.2023 4.102472 622.3894       20.62289  682.7217       
44.34931  605.7442       23.29466  258.1997 8.446557 243.8100 4.698438 
14.38971       9.665384 
1 1 1 11  19 3  o 364.3459 4.362044 1352.689       32.31881  1421.656       
67.63293  1332.281       36.79122  372.2227 8.935192 361.4620 5.005300 
10.76068       10.24162 
1 1 1 11  19 4  o 80.33412 8.064117 66.81906       12.99593  38.34587       
21.44875  83.33589       16.33606  59.50521 16.92207 89.60657 9.090981 
-30.10135      19.20943 
1 1 1 11  19 5  o 175.8212 4.923812 315.4199       17.60452  298.2054       
28.45164  326.0990       22.40940  170.4252 8.209603 178.5944 6.170370 
-8.169174      10.26991 
1 1 1 11  19 6  o 129.3306 6.144572 171.1076       16.16011  201.9218       
29.53077  157.9354       19.30759  139.3109 10.50130 123.8057 7.707177 
15.50526       13.02605 
1 1 1 11  19 7  o 141.3703 7.140724 205.5990       20.46179  210.2918       
26.47631  198.6393       32.24318  142.4411 9.189537 137.6356 11.62894 
4.805527       14.82160 
1 1 1 11  19 8  o 93.58504 12.01788 93.02342       22.34257  67.03195       
32.64756  115.9197       30.64203  76.59276 20.53904 103.5084 14.99430 
-26.91566      25.42993 
1 1 1 11  19 9  o 84.44798 10.67200 75.42722       17.91766  80.10582       
21.88134  65.90565       31.21549  86.35070 12.85293 75.82381 19.96850 
10.52689       23.74740 
1 1 1 11  19 10 o 32.81962 14.31301 -1.915422      17.98290  9.503253       
22.13574  -24.07919      30.83955  41.36380 16.80953 36.40811 16.97902 
4.955692       23.89241 
1 1 1 11  19 11 o 132.9965 7.560769 183.3850       20.36387  167.2530       
24.21907  222.3071       37.61926  126.2848 9.500550 143.8843 12.99750 
-17.59947      16.09955 
1 1 1 11  19 12 o 152.9349 11.08249 249.7885       34.23256  249.7885       
34.23256  0.000000       0.000000  152.9349 11.08249 ?        ?        
0.000000       11.08249 
1 1 1 11  19 13 o 122.8292 9.663971 161.5062       23.94347  145.2536       
30.17276  189.1457       39.34768  113.9831 13.26549 128.3180 15.38608 
-14.33492      20.31514 
1 1 1 11  19 14 o 50.32360 13.95525 30.22938       14.77966  17.60234       
16.14853  95.37924       36.68081  40.56432 14.90946 82.87633 21.55984 
-42.31200      26.21295 
1 1 1 11  20 0  o 160.5984 5.565006 262.9367       18.17432  289.6574       
33.07292  251.3769       21.75318  167.8310 9.732346 156.9248 6.816786 
10.90616       11.88222 
1 1 1 11  20 1  o 187.6610 4.202159 358.6802       16.03607  389.0756       
34.32884  350.1963       18.13649  194.9140 8.660934 185.3794 4.811057 
9.534576       9.907475 
1 1 1 11  20 2  o 162.2943 4.465024 268.3938       14.73596  261.5267       
31.36905  270.3383       16.69242  159.2688 9.732136 162.8326 5.041116 
-3.563736      10.96026 
1 1 1 11  20 3  o 147.7177 4.796060 222.4943       14.40684  224.4430       
29.68586  221.8939       16.47734  147.3479 9.965869 147.4530 5.495183 
-0.1050568     11.38049 
1 1 1 11  20 4  o 174.9019 4.723977 311.9977       16.80172  318.3913       
27.45305  308.1686       21.24528  176.2430 7.659976 173.6590 6.016080 
2.583939       9.740044 
1 1 1 11  20 5  o 200.0141 4.669824 408.1266       18.99383  429.4479       
30.90483  395.1846       24.07800  204.6506 7.426118 196.5997 6.022628 
8.050888       9.561343 
1 1 1 11  20 6  o 67.31477 11.77319 48.44125       15.52906  62.89938       
24.50901  38.74385       20.07230  75.59357 16.41410 59.41527 16.17739 
16.17831       23.04627 
1 1 1 11  20 7  o 47.89055 14.52719 24.52368       15.38118  13.89011       
18.94820  45.06779       26.33735  41.95609 15.99648 63.73585 18.93719 
-21.77976      24.78921 
1 1 1 11  20 8  o 112.4459 8.332824 131.1505       18.91844  105.7761       
23.25127  180.8549       32.54209  99.93706 11.66036 130.7127 12.39068 
-30.77562      17.01449 
1 1 1 11  20 9  o 234.7787 5.465559 564.3378       26.09424  557.6054       
31.23141  579.9039       47.48973  233.0099 6.591219 236.1534 9.889038 
-3.143494      11.88433 
1 1 1 11  20 10 o 55.50547 15.54003 34.29174       18.23554  27.96457       
22.18378  47.47594       32.02267  51.66077 17.61517 64.80404 21.14430 
-13.14327      27.52045 
1 1 1 11  20 11 o 182.0417 6.801358 341.7906       25.17780  369.5908       
32.01278  296.7066       40.76716  188.6257 8.345859 166.6909 12.10942 
21.93486       14.70685 
1 1 1 11  20 12 o 104.8138 12.03347 119.4500       25.18341  119.4500       
25.18341  0.000000       0.000000  104.8138 12.03347 ?        ?        
0.000000       12.03347 
1 1 1 11  20 13 o 34.28916 14.26038 6.075157       16.42214  -1.844933      
19.26598  27.12076       31.40556  32.84910 14.55111 51.12391 20.27750 
-18.27481      24.95820 
1 1 1 11  20 14 o 39.35679 15.49765 14.77414       18.22159  8.190277       
22.18935  28.40766       31.93070  38.06343 16.24077 49.79469 20.20593 
-11.73127      25.92378 
1 1 1 11  21 0  o 280.9637 4.853796 804.4218       27.73212  853.4771       
50.16097  782.8271       33.28098  288.7346 8.543104 277.0193 5.907920 
11.71524       10.38692 
1 1 1 11  21 1  o 295.7664 4.075435 891.0002       24.51174  908.3223       
51.05582  885.8118       27.94267  297.7762 8.431481 294.8247 4.660715 
2.951447       9.633905 
1 1 1 11  21 2  f 336.5662 4.232199 1154.203       28.96596  1224.612       
61.44833  1134.089       32.84397  345.4864 8.746367 333.5114 4.842765 
11.97491       9.997566 
1 1 1 11  21 3  o 18.58458 8.951257 -15.20469      10.02666  0.2554785      
21.16322  -19.67937      11.38559  36.99041 15.82381 19.07710 9.271692 
17.91332       18.34005 
1 1 1 11  21 4  o 61.31698 9.767930 39.68380       11.77102  45.18078       
19.38948  36.47545       14.81304  64.35746 15.07923 58.09919 12.87625 
6.258266       19.82879 
1 1 1 11  21 5  o 148.3629 5.194992 224.7906       15.67335  225.4571       
26.18526  224.4185       19.56525  147.7395 8.754862 148.0572 6.498371 
-0.3176270     10.90305 
1 1 1 11  21 6  o 44.78432 14.22696 20.91575       14.56347  1.088819       
22.54115  35.12203       19.08044  38.21939 16.33970 56.64176 15.90931 
-18.42236      22.80552 
1 1 1 11  21 7  o 43.59233 15.00788 18.75865       16.11175  9.040130       
20.81254  33.29323       25.45226  40.46570 16.35058 56.25059 18.86979 
-15.78489      24.96818 
1 1 1 11  21 8  o 64.37127 13.74304 45.43143       17.44251  41.98149       
21.66191  51.79284       29.41491  61.30711 16.85290 67.56088 19.99922 
-6.253769      26.15319 
1 1 1 11  21 9  o 43.01972 15.48681 17.42958       17.29605  13.08227       
21.40854  25.60007       29.34949  42.72922 16.80702 52.97615 19.97757 
-10.24693      26.10708 
1 1 1 11  21 10 o 165.8140 6.671788 282.9552       22.49649  289.4116       
27.46541  269.7932       39.21486  167.2278 8.076557 159.2749 12.20019 
7.952881       14.63132 
1 1 1 11  21 11 f 121.0776 9.984916 154.9654       24.36513  129.0007       
33.06377  185.8213       36.04375  107.5166 15.57626 130.5065 13.79033 
-22.98992      20.80367 
1 1 1 11  21 12 o 109.3237 12.56386 131.2167       27.42349  131.2167       
27.42349  0.000000       0.000000  109.3237 12.56386 ?        ?        
0.000000       12.56386 
1 1 1 11  21 13 o 68.37829 11.66041 52.49496       15.63216  39.16365       
17.54283  103.8892       34.44454  57.28899 14.91310 90.41933 19.31939 
-33.13034      24.40573 
1 1 1 11  21 14 o 34.65720 14.69883 6.516733       17.98361  -18.47967      
21.59734  63.03507       32.47553  28.65096 13.61828 65.66653 21.28587 
-37.01557      25.26947 
1 1 1 11  22 0  o 103.0044 5.591481 108.5428       11.66819  125.0188       
24.54894  103.7344       13.26200  109.6359 11.16694 100.5776 6.519309 
9.058258       12.93066 
1 1 1 11  22 1  o 43.14443 11.22068 19.90900       9.937219  56.22791       
20.90739  9.309874       11.29453  72.22880 14.73352 33.71945 12.45632 
38.50935       19.29343 
1 1 1 11  22 2  o 234.5914 4.628419 561.0958       22.07985  545.2024       
38.76032  568.7308       26.86484  230.5543 8.267282 236.0326 5.597071 
-5.478333      9.983745 
1 1 1 11  22 3  o 71.12344 7.417532 52.38550       10.57027  43.21854       
21.01458  55.49033       12.23004  62.85484 16.30288 73.04539 8.385478 
-10.19055      18.33303 
1 1 1 11  22 4  f 125.7682 5.573588 161.6128       14.25467  156.3993       
24.51708  164.2752       17.52037  122.7007 9.910438 126.4645 6.838173 
-3.763817      12.04066 
1 1 1 11  22 5  o 104.7634 6.880666 112.9818       14.57707  88.94244       
27.58467  122.2961       17.17039  90.52866 15.54402 108.8264 7.810751 
-18.29772      17.39610 
1 1 1 11  22 6  o 132.3515 6.664502 180.0770       17.87945  148.3260       
25.41494  211.1885       25.15774  119.0525 10.60900 142.8249 8.703489 
-23.77245      13.72230 
1 1 1 11  22 7  o 39.42908 15.94980 8.498487       19.82901  -23.96158      
32.27133  28.18686       25.13316  37.64281 17.49248 53.05286 18.71396 
-15.41005      25.61638 
1 1 1 11  22 8  o 57.05987 14.78630 36.07678       17.29702  31.59912       
20.96538  45.62119       30.60918  53.94131 17.06290 63.92495 20.65933 
-9.983639      26.79460 
1 1 1 11  22 9  o 83.16059 10.93782 73.57144       18.04821  83.44466       
21.95778  53.00903       31.68809  88.04190 12.62585 67.89486 20.90101 
20.14704       24.41852 
1 1 1 11  22 10 o 101.0689 9.230105 107.2593       18.76101  110.5506       
22.83731  100.4275       32.90262  101.8734 11.20927 93.89463 17.88523 
7.978767       21.10756 
1 1 1 11  22 11 o 122.9274 9.796593 159.8952       24.28591  109.5232       
32.43034  224.2129       36.64560  97.83529 16.91248 143.9128 12.65039 
-46.07749      21.12023 
1 1 1 11  22 12 o 36.37631 14.94778 7.720061       17.74955  7.720061       
17.74955  0.000000       0.000000  36.37631 14.94778 ?        ?        
0.000000       14.94778 
1 1 1 11  22 13 f 39.52713 15.71341 13.79754       18.89854  -14.59314      
23.75070  62.79639       31.20193  31.73974 14.83489 67.97107 20.70698 
-36.23133      25.47259 
1 1 1 11  22 14 o 61.40259 15.29843 47.49128       19.03229  53.30354       
23.05327  35.05006       33.72806  63.36389 17.37229 51.48171 20.81002 
11.88218       27.10818 
1 1 1 11  23 0  o 144.5197 4.422706 212.8341       12.99770  186.9294       
27.11070  220.5655       14.81085  134.4712 9.985538 147.0798 4.951941 
-12.60852      11.14597 
1 1 1 11  23 1  o 130.8730 5.799358 174.8850       15.43410  123.2181       
24.50571  208.8541       19.87026  108.6704 11.25235 142.9023 6.837747 
-34.23190      13.16701 
1 1 1 11  23 2  o 131.9157 4.771037 177.4945       12.79854  138.9100       
26.96252  188.7171       14.54117  115.2448 11.66573 135.9760 5.258788 
-20.73124      12.79625 
1 1 1 11  23 3  o 89.92706 6.204789 83.09496       11.27726  88.45142       
24.43274  81.64489       12.71240  91.07613 13.60959 88.99331 7.083185 
2.082817       15.34250 
1 1 1 11  23 4  o 79.43900 7.783374 65.41527       12.41189  102.1397       
22.43847  49.22438       14.89879  98.54488 11.40811 68.04166 11.15438 
30.50322       15.95510 
1 1 1 11  23 5  o 94.50996 7.076461 92.15887       13.50148  95.22330       
25.65828  90.98544       15.87740  94.24300 13.79696 93.61848 8.430429 
0.6245193      16.16874 
1 1 1 11  23 6  o 142.8415 6.385301 209.2010       18.54758  230.0586       
26.74417  189.8730       25.74484  148.9671 8.868629 135.1104 9.429347 
13.85675       12.94470 
1 1 1 11  23 7  o 25.50715 12.36432 -31.56637      19.89639  -30.03460      
31.11786  -32.62562      25.87697  35.32897 16.65870 30.63352 14.65621 
4.695448       22.18821 
1 1 1 11  23 8  o 175.7754 10.86649 324.4478       38.65127  0.000000       
0.000000  324.4478       38.65127  ?        ?        175.7754 10.86649 
0.000000       10.86649 
1 1 1 11  23 9  o 135.4791 7.460741 189.9679       20.47521  192.6718       
25.44235  184.9978       34.49397  135.8005 9.268437 131.3311 13.09030 
4.469360       16.03932 
1 1 1 11  23 10 o 191.0816 6.512914 376.2021       25.30729  402.4889       
32.51245  335.7904       40.31208  196.9270 8.118821 177.9393 11.19780 
18.98776       13.83134 
1 1 1 11  23 11 o 99.93987 11.67353 108.2249       23.27721  72.12445       
31.92033  149.2250       34.01757  76.82410 20.17385 115.5284 14.82160 
-38.70435      25.03326 
1 1 1 11  23 12 o 46.35616 18.24854 20.35613       25.25769  20.35613       
25.25769  0.000000       0.000000  46.35616 18.24854 ?        ?        
0.000000       18.24854 
1 1 1 11  23 13 o 46.32057 14.27964 25.59658       14.78502  17.52195       
16.56760  57.17878       32.76570  40.53808 15.06427 63.57089 21.40943 
-23.03281      26.17815 
1 1 1 11  24 0  o 128.9600 5.387604 169.7093       14.12869  169.7842       
26.26768  169.6788       16.75951  128.0077 10.17495 128.8530 6.396103 
-0.8452606     12.01831 
1 1 1 11  24 1  o 212.8514 4.920637 462.1813       21.29851  454.1109       
37.10207  466.1480       26.01126  210.2530 8.677697 213.5931 5.988565 
-3.340134      10.54350 
1 1 1 11  24 2  o 207.7059 4.057962 439.7362       17.13990  460.8388       
36.81149  433.8949       19.36737  211.7349 8.549477 206.2467 4.617769 
5.488159       9.716859 
1 1 1 11  24 3  o 95.11170 5.986088 92.87840       11.51880  98.14824       
25.46409  91.52264       12.91579  96.00346 13.40940 94.28241 6.781876 
1.721054       15.02683 
1 1 1 11  24 4  o 55.07609 10.50953 32.44623       11.34113  57.57220       
19.77332  20.12846       13.84473  72.90520 13.84363 43.91631 13.86299 
28.98889       19.59154 
1 1 1 11  24 5  o 55.34459 11.57972 33.09387       12.61379  68.71667       
25.16698  21.14314       14.57687  78.89656 16.22800 44.90405 14.23017 
33.99251       21.58345 
1 1 1 11  24 6  o 123.7551 6.036469 156.9700       15.19140  129.1105       
25.88929  171.5996       18.76073  110.4725 11.70248 128.9881 7.180810 
-18.51561      13.72997 
1 1 1 11  24 7  o 118.2710 7.755640 144.8807       18.54966  121.7552       
23.28037  185.0921       30.69860  107.4310 10.80280 132.3651 11.51982 
-24.93401      15.79262 
1 1 1 11  24 8  o 50.66136 15.60760 27.99936       17.66608  32.93357       
23.13001  21.09100       27.36872  55.02127 17.97104 49.77840 19.16544 
5.242867       26.27304 
1 1 1 11  24 9  o 57.03461 14.85739 36.43769       17.40395  40.06084       
21.57724  29.69166       29.44267  59.45786 16.99496 54.56285 20.12021 
4.895008       26.33726 
1 1 1 11  24 10 o 92.14823 9.816572 90.07473       18.11173  89.89765       
21.85666  90.46282       32.35665  91.10670 12.09634 87.95329 18.66838 
3.153412       22.24477 
1 1 1 11  24 11 o 53.76263 15.14702 33.34694       17.26822  32.84823       
20.85533  34.43439       30.79607  53.32125 17.03419 55.62872 20.56481 
-2.307472      26.70347 
1 1 1 11  24 12 o 69.20014 14.89124 56.50928       20.33404  56.50928       
20.33404  0.000000       0.000000  69.20014 14.89124 ?        ?        
0.000000       14.89124 
1 1 1 11  24 13 o 50.17884 13.66270 30.38408       14.31694  19.07717       
15.96711  76.76081       32.33735  41.12975 14.86956 73.61898 20.72322 
-32.48923      25.50599 
1 1 1 11  25 0  o 120.7069 4.879505 148.6282       11.97731  204.9606       
28.13247  136.1568       13.23690  140.7041 9.895147 115.4688 5.637288 
25.23532       11.38828 
1 1 1 11  25 1  o 312.9547 4.879741 999.3658       31.05487  952.1484       
53.75242  1023.022       38.04712  304.3064 8.686314 316.3748 5.913825 
-12.06836      10.50835 
1 1 1 11  25 2  o 200.6871 4.104720 410.6247       16.75153  403.3147       
35.81554  412.6716       18.95230  197.8978 8.899776 201.1115 4.634187 
-3.213745      10.03403 
1 1 1 11  25 3  o 46.91060 10.57479 23.68970       9.846581  37.24393       
20.25036  19.49277       11.26838  58.29404 16.39556 42.71542 12.30335 
15.57861       20.49846 
1 1 1 11  25 4  o 134.3686 5.528106 184.6566       15.10517  205.8895       
29.71768  177.2600       17.53996  140.4576 10.47989 131.4932 6.559546 
8.964401       12.36348 
1 1 1 11  25 5  o 139.0822 6.529469 198.4639       18.46719  0.000000       
0.000000  198.4639       18.46719  ?        ?        139.0822 6.529469 
0.000000       6.529469 
1 1 1 11  25 6  o 146.0873 6.396675 219.0783       19.00283  288.9047       
59.90769  211.2666       20.03761  161.3371 18.60054 143.3537 6.873622 
17.98338       19.82994 
1 1 1 11  25 7  o 47.89523 15.15094 24.62080       16.53001  15.59587       
21.31576  38.23598       26.18124  43.95267 16.91625 58.84846 19.11474 
-14.89580      25.52515 
1 1 1 11  25 8  o 59.09686 15.47741 39.19533       18.82085  43.61427       
25.16265  33.58363       28.35598  61.93080 18.53496 56.42707 19.88048 
5.503723       27.18047 
1 1 1 11  25 9  f 35.96751 14.85548 5.782821       17.64560  1.920995       
22.96490  11.34920       27.57113  38.21382 16.41896 45.05767 18.58590 
-6.843849      24.79955 
1 1 1 11  25 10 o 67.07272 13.24691 50.14715       17.42705  58.60116       
21.72702  34.89722       29.18116  71.68124 15.36696 56.22980 20.12925 
15.45144       25.32450 
1 1 1 11  25 11 o 82.62947 10.22295 73.81673       16.81108  51.03861       
19.19026  148.9723       34.85802  66.47157 14.59653 114.0357 15.42787 
-47.56411      21.23859 
1 1 1 11  25 12 o 31.88080 15.45291 -37.30980      31.06597  0.000000       
0.000000  -37.30980      31.06597  ?        ?        31.88080 15.45291 
0.000000       15.45291 
1 1 1 11  25 13 o 39.23946 15.53285 15.38646       18.39421  -5.584809      
22.40708  58.72346       32.21085  32.65182 14.95668 62.63961 21.22673 
-29.98779      25.96684 
1 1 1 11  26 0  o 264.4573 3.967031 712.7841       21.33401  772.8150       
47.20574  697.3759       23.91572  274.2217 8.465283 261.4953 4.497468 
12.72641       9.585835 
1 1 1 11  26 1  o 106.7794 5.236885 116.4454       11.37135  147.9495       
25.71582  108.7879       12.67822  119.0639 10.73658 102.9529 6.082759 
16.11107       12.33994 
1 1 1 11  26 2  o 250.6224 4.028568 640.4581       20.53156  721.8603       
45.38585  619.5132       23.02193  264.8123 8.428123 246.3856 4.594891 
18.42676       9.599285 
1 1 1 11  26 3  o 57.33899 9.077258 34.74109       10.23170  42.25924       
22.96111  32.87835       11.42916  61.79126 17.48636 55.41801 10.52664 
6.373249       20.41036 
1 1 1 11  26 4  o 30.10311 12.11427 4.686167       11.37486  8.343735       
22.78909  3.472584       13.12700  41.47316 16.97756 31.05209 12.81816 
10.42106       21.27305 
1 1 1 11  26 5  o 80.68243 7.945246 67.76041       12.86666  39.25367       
22.83390  81.02303       15.57475  59.40971 17.62838 88.07317 8.814473 
-28.66345      19.70926 
1 1 1 11  26 6  o 152.1113 6.405947 237.6764       19.81510  273.8483       
62.85968  233.6854       20.87963  155.3181 20.39514 150.7286 6.812017 
4.589523       21.50268 
1 1 1 11  26 7  o 50.90150 14.82593 28.57857       16.28112  19.84616       
21.15779  41.25673       25.49361  46.21468 17.05336 60.48976 18.76799 
-14.27507      25.35852 
1 1 1 11  26 8  o 32.01575 14.07587 -2.825645      17.70646  6.005970       
23.07408  -15.47501      27.61459  40.10952 16.81013 35.97255 16.52418 
4.136967       23.57178 
1 1 1 11  26 9  o 211.1890 7.231275 461.4186       31.05543  370.1175       
43.37192  557.4761       44.48734  186.4060 11.49801 230.7104 9.482391 
-44.30443      14.90369 
1 1 1 11  26 10 o 25.95399 12.21247 -15.51109      16.56425  -5.670664      
21.06840  -31.43980      26.80493  33.37891 14.97221 30.96292 14.84087 
2.415987       21.08124 
1 1 1 11  26 11 o 93.69541 8.508096 93.36719       16.03398  90.23616       
18.42229  103.1488       32.56162  91.29716 10.09154 92.09840 18.03147 
-0.8012390     20.66333 
1 1 1 11  26 12 o 46.82743 14.13583 26.19443       14.58952  28.29508       
16.72956  19.52323       29.81330  48.30034 15.23817 45.95842 19.17222 
2.341927       24.49032 
1 1 1 11  26 13 o 49.42538 16.08252 31.80988       18.53060  45.47674       
23.25393  8.031402       30.67284  57.32544 17.94742 40.62090 18.15387 
16.70455       25.52788 
1 1 1 11  27 0  o 169.2761 4.759580 292.4315       16.38384  273.3728       
31.23005  299.6689       19.24482  162.5089 9.491542 171.2476 5.526342 
-8.738770      10.98316 
1 1 1 11  27 1  o 205.8862 3.980895 432.1976       16.66707  445.6302       
36.48761  428.6558       18.73598  207.9976 8.626522 204.9626 4.495212 
3.034912       9.727477 
1 1 1 11  27 2  o 36.77783 12.89715 12.72549       11.92482  -1.554487      
19.64739  21.05394       15.00456  34.67199 15.04187 45.00378 14.45611 
-10.33180      20.86234 
1 1 1 11  27 3  o 53.81094 9.806257 30.90325       10.33527  44.21148       
23.25267  27.62679       11.53760  62.98277 17.51789 50.48617 11.49561 
12.49659       20.95293 
1 1 1 11  27 4  o 275.7020 4.697236 776.6749       26.33502  836.0647       
50.74825  754.7875       30.80790  284.3144 8.777498 271.5155 5.579767 
12.79889       10.40088 
1 1 1 11  27 5  o 127.7254 5.713125 167.2031       14.83893  136.3924       
26.22592  181.7118       17.99673  113.4572 11.52712 132.7946 6.685825 
-19.33743      13.32572 
1 1 1 11  27 6  o 80.51858 15.08799 71.79462       23.79690  -20.17710      
57.33121  90.93869       26.15659  52.16571 23.90596 91.06613 14.61908 
-38.90042      28.02164 
1 1 1 11  27 7  o 105.4179 8.849919 116.2700       18.79609  115.1033       
24.00470  118.1190       30.21878  103.8702 11.56074 103.7841 14.73192 
0.8603668E-01  18.72646 
1 1 1 11  27 8  o 120.3747 8.678471 151.5206       21.10119  152.1361       
28.89404  150.8173       30.88893  119.0991 12.09816 118.0668 13.08548 
1.032295       17.82121 
1 1 1 11  27 9  o 178.0316 7.697075 329.2521       27.86598  261.8435       
38.86959  400.5326       39.97035  155.7645 12.37321 194.6184 10.13461 
-38.85390      15.99396 
1 1 1 11  27 10 o 107.5548 8.453603 122.1207       18.34043  117.0947       
21.96188  133.7037       33.34054  104.2787 10.49953 108.0785 15.62330 
-3.799759      18.82359 
1 1 1 11  27 11 o 46.18402 14.55940 24.76803       15.27460  19.98002       
17.67503  38.89199       30.35713  43.09550 15.63473 55.93893 20.45999 
-12.84343      25.74987 
1 1 1 11  27 12 o 43.89034 14.07554 23.04750       14.22933  22.06189       
16.23372  26.31575       29.56138  43.22916 15.05420 47.93490 19.44512 
-4.705734      24.59149 
1 1 1 11  27 13 o 30.96714 13.84158 0.2586964E-01  17.83858  15.15807       
22.12601  -28.07704      30.15279  39.62309 16.52186 31.45397 15.24068 
8.169127       22.47777 
1 1 1 11  28 0  o 57.41807 9.226873 34.84472       10.40858  54.99350       
22.16777  29.14634       11.78891  70.69238 15.81596 51.96075 11.46444 
18.73162       19.53402 
1 1 1 11  28 1  o 307.9311 4.066286 967.1464       25.46261  934.2680       
52.97295  977.0253       29.03705  300.9908 8.654650 309.3599 4.615694 
-8.369080      9.808547 
1 1 1 11  28 2  o 207.3897 4.921167 439.4799       20.75423  408.4980       
36.62720  454.1318       25.18811  198.7798 9.061080 210.5965 5.881568 
-11.81664      10.80259 
1 1 1 11  28 3  o 100.1060 6.257501 103.1656       12.67441  91.63419       
23.18715  108.0792       15.13571  92.54562 12.65225 102.2410 7.328525 
-9.695427      14.62145 
1 1 1 11  28 4  o 45.17916 12.23308 22.22613       11.51522  41.34945       
21.87163  14.89243       13.54444  60.71759 17.02591 39.27234 13.74662 
21.44524       21.88267 
1 1 1 11  28 5  o 33.58632 12.80303 8.775744       12.13655  21.79206       
23.45229  4.014926       14.18345  48.39014 17.93471 32.22382 13.31469 
16.16632       22.33685 
1 1 1 11  28 6  o 130.9811 7.681936 177.9334       20.37167  169.0209       
28.03035  187.9112       29.65831  126.3428 11.02038 133.2493 11.04493 
-6.906502      15.60254 
1 1 1 11  28 7  o 133.3836 9.141891 186.2731       24.64686  186.2731       
24.64686  0.000000       0.000000  133.3836 9.141891 ?        ?        
0.000000       9.141891 
1 1 1 11  28 8  o 64.93542 13.68135 47.05193       17.49589  43.59358       
22.54766  52.28508       27.73635  61.41998 17.30966 66.55524 19.34119 
-5.135262      25.95585 
1 1 1 11  28 9  f 130.7408 7.479769 178.2637       19.80359  166.2607       
24.39248  201.4743       33.91986  125.2079 9.654688 136.1521 12.38667 
-10.94415      15.70486 
1 1 1 11  28 10 o 64.40755 13.21719 47.23702       16.73092  45.98823       
20.23160  49.93858       29.75725  62.22030 15.92353 62.90973 20.37383 
-0.6894264     25.85830 
1 1 1 11  28 11 o 61.29342 12.28627 43.18832       14.78060  27.78410       
16.88159  93.77750       30.59302  48.15478 15.31955 86.13102 18.04447 
-37.97624      23.67048 
1 1 1 11  28 12 o 51.91763 13.12533 32.68423       13.86484  36.07506       
15.51960  19.27876       30.85810  54.03653 14.00754 44.73109 19.12062 
9.305435       23.70251 
1 1 1 11  29 0  o 75.17603 6.119662 58.25415       9.274117  79.40099       
23.64458  54.40932       10.08202  85.75467 14.04521 72.49447 6.923140 
13.26020       15.65879 
1 1 1 11  29 1  o 27.85026 10.77642 5.330961       8.686727  5.980491       
21.68013  5.206742       9.481054  39.58623 16.41765 28.56611 11.20099 
11.02012       19.87464 
1 1 1 11  29 2  o 240.2019 4.853447 589.7094       23.70709  674.9543       
44.56780  556.0709       27.99654  255.5716 8.575456 232.9584 5.909824 
22.61319       10.41463 
1 1 1 11  29 3  o 36.73878 12.50977 13.32862       11.18807  7.648995       
21.84766  15.34748       13.02560  40.30367 16.57533 39.38240 13.49761 
0.9212723      21.37585 
1 1 1 11  29 4  o 172.7138 4.728218 305.0768       16.60642  269.0998       
28.18017  324.2174       20.55457  160.8998 8.644323 177.8192 5.684317 
-16.91948      10.34581 
1 1 1 11  29 5  o 86.59565 8.867838 78.69337       15.39557  25.36695       
61.72203  82.23133       15.89808  63.77624 27.14609 88.51166 8.955940 
-24.73542      28.58529 
1 1 1 11  29 6  o 55.40724 14.89297 34.45232       17.14139  35.10495       
24.82775  33.85788       23.69506  56.29760 18.63014 55.34634 18.19468 
0.9512672      26.04090 
1 1 1 11  29 7  o 105.4252 11.69822 119.2636       24.65648  119.2636       
24.65648  0.000000       0.000000  105.4252 11.69822 ?        ?        
0.000000       11.69822 
1 1 1 11  29 8  o 180.5244 6.552204 336.6266       24.05331  349.6977       
31.60357  318.6305       37.08264  183.0247 8.491317 173.1849 10.58028 
9.839722       13.56631 
1 1 1 11  29 9  o 109.0428 8.608887 125.6144       18.93428  130.2451       
23.80913  117.6470       31.23037  109.8952 10.79328 101.3331 15.66059 
8.562119       19.01970 
1 1 1 11  29 10 o 82.67988 9.804734 74.15424       16.16370  69.27180       
19.22767  85.91774       29.84536  78.41730 12.47559 83.35536 18.12392 
-4.938057      22.00266 
1 1 1 11  29 11 f 94.94178 17.42726 114.2063       32.40642  0.000000       
0.000000  114.2063       32.40642  ?        ?        94.94178 17.42726 
0.000000       17.42726 
1 1 1 11  29 12 o 35.29013 13.60289 12.76315       13.79971  13.00592       
15.83679  11.99736       28.12674  36.29893 14.39878 40.63909 17.80685 
-4.340153      22.89997 
1 1 1 11  30 0  o 163.2564 3.973195 271.8996       13.19051  292.8205       
31.20148  267.3470       14.55512  167.9801 9.168769 161.8195 4.423169 
6.160629       10.17992 
1 1 1 11  30 1  o 95.71098 5.385266 94.04031       10.43883  123.1543       
23.54068  86.91415       11.64651  108.1350 10.85174 91.84184 6.273499 
16.29314       12.53464 
1 1 1 11  30 2  o 178.3521 4.648597 325.1161       16.85976  328.2184       
33.74897  324.0845       19.46232  177.5588 9.380170 177.9123 5.379443 
-0.3534851     10.81323 
1 1 1 11  30 3  o 132.8197 5.425098 180.7487       14.65283  154.3519       
28.81470  189.9555       17.01739  120.4718 11.91822 136.0119 6.152684 
-15.54009      13.41266 
1 1 1 11  30 4  o 118.2520 5.815905 143.5392       13.98547  129.6914       
26.05058  149.1464       16.57690  110.2364 11.80445 120.1432 6.813087 
-9.906776      13.62950 
1 1 1 11  30 5  o 110.7031 28.33145 159.8875       64.04539  159.8875       
64.04539  0.000000       0.000000  110.7031 28.33145 ?        ?        
0.000000       28.33145 
1 1 1 11  30 6  o 68.95935 12.95130 52.35703       17.49484  29.81826       
24.95871  74.12774       24.52976  53.00174 18.65396 81.26084 15.40818 
-28.25911      24.19467 
1 1 1 11  30 7  o 87.71922 13.24734 84.54213       22.89437  84.54213       
22.89437  0.000000       0.000000  87.71922 13.24734 ?        ?        
0.000000       13.24734 
1 1 1 11  30 8  o 51.46489 14.87615 30.19725       16.44763  19.16294       
20.86518  48.30700       26.73042  44.80016 16.85462 63.40392 19.13258 
-18.60376      25.49772 
1 1 1 11  30 9  f 88.76309 12.62937 87.80292       22.15347  58.06840       
31.16726  118.1657       31.49479  67.37892 20.72627 100.8200 15.88771 
-33.44111      26.11508 
1 1 1 11  30 10 o 34.62357 13.82773 9.305261       14.69730  7.255645       
17.44412  14.32005       27.28596  35.26413 14.68427 43.57232 18.27171 
-8.308197      23.44106 
1 1 1 11  30 11 o 32.83360 13.50195 7.644467       14.49519  3.398726       
16.65514  20.90297       29.43194  32.10061 13.88771 45.23555 18.97328 
-13.13494      23.51284 
1 1 1 11  30 12 o 19.60566 9.814220 -39.38824      16.52415  -47.36527      
20.98348  -26.36587      26.81031  22.11269 11.06777 29.58274 14.34291 
-7.470053      18.11670 
1 1 1 11  31 0  o 50.86100 8.150202 27.34109       8.144902  24.14462       
20.35140  27.95072       8.887720  48.82495 16.86397 51.27937 8.842439 
-2.454426      19.04159 
1 1 1 11  31 1  o 30.07780 11.70127 6.207954       10.28460  3.882262       
23.03572  6.786942       11.49372  39.42591 16.67378 31.62300 12.35118 
7.802910       20.75010 
1 1 1 11  31 2  o 88.44273 6.646163 80.89531       11.86581  77.59513       
25.70542  81.78893       13.37619  83.54964 15.70622 88.73470 7.482707 
-5.185059      17.39760 
1 1 1 11  31 3  o 243.5428 4.130476 605.9970       20.45628  566.9298       
43.43959  617.1292       23.18835  233.3719 9.153468 245.6136 4.642650 
-12.24170      10.26354 
1 1 1 11  31 4  o 125.1540 5.652689 160.8096       14.38636  144.7776       
25.22490  168.5383       17.51402  116.8562 10.73518 127.6885 6.769186 
-10.83227      12.69118 
1 1 1 11  31 5  o 41.64876 13.24582 18.52322       12.62130  25.71511       
24.84454  16.02156       14.65292  50.63201 18.51078 40.38453 14.28437 
10.24747       23.38145 
1 1 1 11  31 6  o 93.35056 10.04869 92.62173       18.77506  79.49527       
26.45026  105.9520       26.65483  83.64330 16.13528 98.18422 13.72526 
-14.54092      21.18325 
1 1 1 11  31 7  o 74.55255 15.98795 63.94304       23.51138  63.94304       
23.51138  0.000000       0.000000  74.55255 15.98795 ?        ?        
0.000000       15.98795 
1 1 1 11  31 8  o 88.29395 10.04498 83.82684       17.71460  92.57978       
21.97015  67.56243       29.94848  91.78912 12.06248 73.88354 19.60780 
17.90559       23.02106 
1 1 1 11  31 9  o 64.56878 12.81465 47.57437       16.23223  20.98125       
19.46056  108.3832       29.42756  44.42800 16.36148 96.07932 15.59647 
-51.65132      22.60415 
1 1 1 11  31 10 o 32.25662 13.43616 5.872003       14.61133  -3.037149      
17.00832  30.96727       28.54560  29.95555 13.44344 50.44040 19.53018 
-20.48486      23.70979 
1 1 1 11  31 11 o 54.13045 13.03309 35.77099       14.17440  37.48326       
16.08865  29.83255       29.96186  54.52869 14.32393 47.96396 19.53144 
6.564732       24.22090 
1 1 1 11  32 0  o 89.21574 5.096383 81.72067       9.207665  43.01693       
22.57728  89.44235       10.08442  61.75977 17.29142 93.30623 5.336981 
-31.54646      18.09632 
1 1 1 11  32 1  o 93.95333 7.164056 91.49564       13.58428  111.1169       
26.07676  84.18783       15.91417  101.5854 12.91520 89.64902 8.844731 
11.93641       15.65349 
1 1 1 11  32 2  o 135.4460 5.135263 187.9484       14.14426  187.1466       
29.94583  188.1787       16.04708  132.8765 11.18654 135.3819 5.828865 
-2.505371      12.61405 
1 1 1 11  32 3  o 105.6188 6.993301 115.6094       14.93518  130.7634       
27.61799  109.3461       17.75534  110.1609 12.55274 102.2018 8.623711 
7.959061       15.22957 
1 1 1 11  32 4  o 90.58342 8.389105 86.02011       15.27767  167.1887       
64.29516  81.16290       15.72815  112.5940 28.15485 87.78948 8.934682 
24.80450       29.53852 
1 1 1 11  32 5  o 118.0451 6.144642 143.9006       14.69916  128.0076       
27.82926  150.0501       17.31094  108.5258 12.86024 120.2367 7.111609 
-11.71083      14.69560 
1 1 1 11  32 6  o 54.94030 15.24477 34.45187       17.63161  19.67101       
25.21116  48.60206       24.66744  47.17193 18.32908 64.19807 18.10943 
-17.02614      25.76639 
1 1 1 11  32 7  o 121.2046 7.846533 153.8904       19.23586  160.4843       
24.06551  142.2236       32.01094  122.8397 9.713190 112.7970 14.27515 
10.04266       17.26632 
1 1 1 11  32 8  o 92.55821 10.37529 92.87266       19.19232  96.85578       
24.57314  86.64249       30.73253  92.70065 13.42637 84.05305 18.48315 
8.647598       22.84501 
1 1 1 11  32 9  o 37.71723 15.21132 11.26852       17.97657  -20.89690      
23.37495  57.83231       28.12420  29.88962 14.19554 66.25293 19.54000 
-36.36331      24.15213 
1 1 1 11  32 10 o 53.72610 13.16723 34.76474       14.27371  24.78070       
16.45577  65.10074       28.68429  45.02055 15.17235 68.00415 19.64208 
-22.98360      24.81958 
1 1 1 11  32 11 o 26.29688 11.76215 -1.404800      12.90499  8.936961       
14.35780  -44.88906      29.44128  32.82476 13.46098 28.13876 13.91978 
4.686003       19.36384 
1 1 1 11  33 0  f 121.9969 4.674994 152.2462       11.59795  160.5949       
28.70927  150.6180       12.67857  122.9068 11.62473 121.2662 5.141371 
1.640602       12.71094 
1 1 1 11  33 1  o 43.87983 10.51806 20.99004       9.263260  -2.130719      
22.60992  25.65375       10.15462  36.42287 15.96221 48.55117 10.58383 
-12.12829      19.15228 
1 1 1 11  33 2  o 223.5048 4.080345 510.5712       18.54536  489.6811       
40.39682  516.1496       20.87512  216.6179 9.170678 224.5738 4.571076 
-7.955963      10.24676 
1 1 1 11  33 3  o 106.3790 6.998126 117.4136       15.05421  153.4218       
28.69877  103.7442       17.68226  119.5146 11.96929 99.36628 8.843221 
20.14830       14.88175 
1 1 1 11  33 4  o 150.8181 6.064106 234.2545       18.59823  98.37233       
65.24039  246.2739       19.40335  84.49782 30.11379 154.6036 6.171711 
-70.10580      30.73972 
1 1 1 11  33 5  o 30.08729 12.52269 3.267321       12.67793  -1.368720      
24.15898  5.029212       14.89342  37.47438 16.45957 33.10680 13.65863 
4.367580       21.38868 
1 1 1 11  33 6  o 114.1792 8.648590 137.3455       19.93188  148.7456       
28.60973  126.5938       27.78426  116.8907 12.21650 107.2911 12.99992 
9.599640       17.83930 
1 1 1 11  33 7  o 111.7368 7.997033 131.4446       18.05077  143.1420       
22.62397  110.9548       29.94280  115.7111 9.704464 98.15224 15.51758 
17.55889       18.30224 
1 1 1 11  33 8  o 51.62154 14.81907 31.54502       16.37229  12.28379       
19.51564  77.31306       30.08305  39.37630 15.86011 77.97605 19.11868 
-38.59975      24.84084 
1 1 1 11  33 9  o 107.2084 9.151059 124.8381       19.75932  106.9473       
25.05470  154.2729       32.13704  96.01683 13.17955 114.5501 14.09345 
-18.53323      19.29575 
1 1 1 11  33 10 o 28.45488 12.68208 -0.9459189     14.85989  15.06466       
17.52642  -41.88418      28.02557  38.25095 15.15553 28.08727 13.83468 
10.16368       20.52044 
1 1 1 11  33 11 o 50.04037 13.48516 32.19821       14.03239  28.40441       
15.46507  49.87500       33.38231  46.19166 14.65932 53.53905 21.01011 
-7.347393      25.61875 
1 1 1 11  34 0  o 30.82941 10.43594 9.384944       7.785647  10.86981       
23.41449  9.200360       8.255394  42.45570 17.27468 30.94234 10.73764 
11.51336       20.33990 
1 1 1 11  34 1  o 86.82320 6.015743 77.89732       10.55580  52.12204       
25.14965  83.40897       11.62976  66.95823 18.05707 89.75963 6.413693 
-22.80140      19.16229 
1 1 1 11  34 2  o 58.77715 8.867172 36.79933       10.26890  -27.08033      
24.37901  50.57786       11.32234  30.24122 14.40105 69.29422 8.193642 
-39.05299      16.56883 
1 1 1 11  34 3  o 112.3241 10.32860 134.1591       23.32775  0.000000       
0.000000  134.1591       23.32775  ?        ?        112.3241 10.32860 
0.000000       10.32860 
1 1 1 11  34 4  o 79.53253 8.467388 66.72654       13.48389  66.02682       
25.84320  66.98827       15.80587  75.22240 17.26074 79.12154 10.05038 
-3.899139      19.97357 
1 1 1 11  34 5  o 123.1534 6.263193 157.0559       15.63362  142.2708       
28.67096  163.3120       18.65018  114.1287 12.56163 125.1608 7.360017 
-11.03210      14.55899 
1 1 1 11  34 6  o 155.1808 10.35662 257.8754       32.49419  0.000000       
0.000000  257.8754       32.49419  ?        ?        155.1808 10.35662 
0.000000       10.35662 
1 1 1 11  34 7  o 111.2786 8.063120 130.9631       18.12219  111.7836       
21.97286  171.7603       32.04674  101.1963 10.84657 123.9922 12.89858 
-22.79587      16.85294 
1 1 1 11  34 8  o 31.98329 13.51547 4.291212       15.11620  4.543793       
17.74275  3.622491       28.86977  34.04556 14.52443 40.28360 17.82995 
-6.238041      22.99709 
1 1 1 11  34 9  f 31.39539 13.88012 0.5209305      17.44710  5.681135       
23.13503  -6.284006      26.56738  36.97390 16.17654 34.98537 16.12136 
1.988533       22.83809 
1 1 1 11  34 10 o 43.98118 14.14068 24.67746       14.35438  18.99619       
16.48806  42.46589       29.17533  39.79589 14.98066 52.37133 19.87757 
-12.57544      24.89052 
1 1 1 11  35 0  o 178.8220 4.171593 327.0277       15.16961  333.4880       
35.44994  325.5796       16.78391  178.0036 9.831556 178.3064 4.628870 
-0.3027649     10.86674 
1 1 1 11  35 1  o 87.62959 5.677645 79.27882       10.06301  55.62830       
26.09521  83.41021       10.90658  68.76244 18.32883 89.81274 6.006345 
-21.05029      19.28788 
1 1 1 11  35 2  o 58.34368 10.60688 37.02151       12.12084  18.60817       
24.64079  42.89912       13.92158  46.44318 18.09975 62.64834 11.34539 
-16.20516      21.36162 
1 1 1 11  35 3  o 53.03963 11.58813 31.12155       12.14922  0.000000       
0.000000  31.12155       12.14922  ?        ?        53.03963 11.58813 
0.000000       11.58813 
1 1 1 11  35 4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  35 5  o 106.2022 7.030239 117.7106       15.09703  97.24980       
27.73011  126.3299       17.99820  92.18282 15.33127 109.5682 8.135881 
-17.38535      17.35628 
1 1 1 11  35 6  o 107.3067 9.401933 123.2408       20.30921  99.40439       
28.05724  149.4765       29.43542  92.49921 15.46188 115.9859 12.68684 
-23.48672      20.00064 
1 1 1 11  35 7  o 30.40746 13.20015 0.8525661      15.14985  -0.3708831     
18.25662  3.558163       27.14932  32.40702 14.26933 39.66461 17.43440 
-7.257591      22.52937 
1 1 1 11  35 8  o 26.05992 11.86393 -5.326127      13.82037  2.126187       
16.27058  -24.63208      26.18804  31.48873 13.67462 30.63823 14.68097 
0.8505039      20.06306 
1 1 1 11  35 9  o 39.84694 15.06754 18.26736       16.72440  3.636103       
20.29355  49.24201       29.52707  34.03536 15.01233 56.85923 20.25948 
-22.82386      25.21540 
1 1 1 11  35 10 o 30.86152 13.17504 5.962553       14.61714  11.44602       
16.76750  -11.39748      29.83431  34.82851 14.44084 33.55339 15.96523 
1.275120       21.52734 
1 1 1 11  36 0  o 60.45640 6.757634 38.22615       8.165722  0.000000       
0.000000  38.22615       8.165722  ?        ?        60.45640 6.757634 
0.000000       6.757634 
1 1 1 11  36 1  o 157.3269 4.228370 253.3809       13.52781  297.1488       
37.37944  246.7844       14.51147  166.7799 11.08453 155.1696 4.598894 
11.61035       12.00069 
1 1 1 11  36 2  o 86.77873 7.411293 78.76468       12.95311  33.87160       
25.96972  93.63173       14.94480  54.85779 19.04423 94.51366 7.846736 
-39.65587      20.59743 
1 1 1 11  36 3  o 49.09299 11.96872 26.92654       11.84057  0.000000       
0.000000  26.92654       11.84057  ?        ?        49.09299 11.96872 
0.000000       11.96872 
1 1 1 11  36 4  o 101.9374 7.052818 108.5018       14.53015  109.3771       
27.70611  108.1697       17.06521  98.58227 14.23276 101.2463 8.363470 
-2.664070      16.50816 
1 1 1 11  36 5  o 63.73280 12.81374 45.98956       16.03118  0.000000       
0.000000  45.98956       16.03118  ?        ?        63.73280 12.81374 
0.000000       12.81374 
1 1 1 11  36 6  o 94.77135 10.26012 97.91013       19.45768  87.42855       
26.84226  109.5167       28.24600  85.59818 16.00921 97.01405 14.78506 
-11.41587      21.79204 
1 1 1 11  36 7  o 106.3317 7.549778 120.1738       16.21870  86.83090       
18.72205  220.4463       32.46704  88.42955 10.62393 140.4394 11.46859 
-52.00986      15.63318 
1 1 1 11  36 8  o 36.94321 13.87940 14.53537       14.13944  35.23726       
16.00507  -59.05818      30.17675  53.07028 14.44401 27.22928 13.57346 
25.84100       19.82090 
1 1 1 11  36 9  o 34.37422 15.08804 6.069986       20.27127  6.069986       
20.27127  0.000000       0.000000  34.37422 15.08804 ?        ?        
0.000000       15.08804 
1 1 1 11  36 10 o 38.64157 13.71813 19.34981       13.52616  9.869863       
15.24790  54.35945       29.30223  32.80400 13.70013 55.01650 20.10458 
-22.21250      24.32874 
1 1 1 11  37 0  o 75.47143 5.226910 58.81252       7.972543  56.88674       
27.23777  58.99297       8.337703  68.81833 18.88966 75.53414 5.465057 
-6.715813      19.66433 
1 1 1 11  37 1  o 71.19025 6.498313 52.83665       9.303767  31.72853       
26.98931  55.68324       9.911275  53.70419 19.34438 73.02773 6.750446 
-19.32354      20.48838 
1 1 1 11  37 2  o 25.08291 10.76200 0.2364522      9.841657  0.000000       
0.000000  0.2364522      9.841657  ?        ?        25.08291 10.76200 
0.000000       10.76200 
1 1 1 11  37 3  o 23.51813 10.57954 -4.169910      10.60334  -48.06265      
26.36299  4.300902       11.58139  27.41067 13.48525 29.49515 12.09191 
-2.084480      18.11260 
1 1 1 11  37 4  o 36.35942 13.26501 12.81110       12.74884  4.073122       
25.80131  15.63359       14.66402  39.80875 17.25384 39.39219 14.24858 
0.4165535      22.37671 
1 1 1 11  37 5  o 49.03285 22.41619 0.6070691      49.99497  0.6070691      
49.99497  0.000000       0.000000  49.03285 22.41619 ?        ?        
0.000000       22.41619 
1 1 1 11  37 6  o 67.99786 16.98774 58.07315       23.42214  23.37864       
46.67283  69.75177       27.07880  52.03056 22.86471 73.71055 18.17915 
-21.67999      29.21090 
1 1 1 11  37 7  o 58.00413 16.20550 43.24516       19.85256  43.24516       
19.85256  0.000000       0.000000  58.00413 16.20550 ?        ?        
0.000000       16.20550 
1 1 1 11  37 8  o 28.15076 13.29333 -12.90311      19.94687  -12.90311      
19.94687  0.000000       0.000000  28.15076 13.29333 ?        ?        
0.000000       13.29333 
1 1 1 11  37 9  o 30.80365 13.90134 0.9171482      18.47891  -18.59979      
24.49899  26.67539       28.14495  29.03598 13.98690 43.66370 18.44621 
-14.62772      23.14943 
1 1 1 11  38 0  o 88.67554 4.473997 80.83994       8.041698  44.64574       
29.91611  83.65896       8.348992  60.90696 20.45755 90.19151 4.567043 
-29.28455      20.96114 
1 1 1 11  38 1  o 22.89359 9.652942 1.040055       7.683369  -5.845859      
30.04786  1.521787       7.947587  39.49020 17.78279 23.59487 9.875644 
15.89533       20.34099 
1 1 1 11  38 2  o 28.98941 11.41510 5.853744       9.885717  0.000000       
0.000000  5.853744       9.885717  ?        ?        28.98941 11.41510 
0.000000       11.41510 
1 1 1 11  38 3  o 49.50805 11.70191 27.62307       11.59484  28.68508       
30.78956  27.44757       12.51625  52.07691 20.24987 49.11621 12.49999 
2.960693       23.79721 
1 1 1 11  38 4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 11  38 5  o 20.12048 9.944137 -30.32158      14.90419  -13.82185      
22.93055  -42.39092      19.61182  31.31990 14.61775 22.40094 11.12968 
8.918961       18.37249 
1 1 1 11  38 6  o 72.41618 9.153567 57.55609       13.17856  40.81458       
22.05481  66.85317       16.43537  55.84337 17.47776 77.08073 10.78030 
-21.23736      20.53502 
1 1 1 11  38 7  o 37.22383 13.44055 15.72956       13.03965  -8.523245      
14.73823  103.1289       27.97812  25.33497 11.78911 89.69142 15.92290 
-64.35645      19.81216 
1 1 1 11  38 8  o 31.17481 13.34395 5.927754       15.06587  5.927754       
15.06587  0.000000       0.000000  31.17481 13.34395 ?        ?        
0.000000       13.34395 
1 1 1 11  38 9  o 44.35701 15.61013 28.71264       17.47771  46.67874       
22.83445  3.297828       27.15858  53.58354 17.87310 34.76908 16.11902 
18.81445       24.06803 
1 1 1 11  39 0  o 72.80960 14.98593 61.18688       21.44860  141.1879       
30.78164  -14.31333      29.90323  112.3606 13.75933 36.92738 17.04692 
75.43326       21.90700 
1 1 1 11  39 1  o 46.18969 19.46565 13.48494       31.21854  0.000000       
0.000000  13.48494       31.21854  ?        ?        46.18969 19.46565 
0.000000       19.46565 
1 1 1 11  39 2  o 44.16134 17.11311 18.55689       21.93124  21.17516       
29.99252  15.54825       32.15076  48.41219 19.60468 47.01608 19.78084 
1.396107       27.85005 
1 1 1 11  39 3  o 87.24501 6.935241 80.01012       12.20267  105.2582       
31.07897  75.40843       13.26817  93.39220 16.99048 84.30819 7.828451 
9.084015       18.70725 
1 1 1 11  39 4  o 66.52736 13.42338 51.62408       17.53365  35.45871       
26.93570  63.51040       23.09718  53.31465 19.30709 72.02206 16.16689 
-18.70742      25.18198 
1 1 1 11  39 5  o 29.41779 12.26512 4.409112       12.19157  -6.322916      
22.58794  8.820707       14.48217  32.87709 15.04408 33.78994 13.64407 
-0.9128571     20.30972 
1 1 1 11  39 6  o 27.33383 11.74753 2.075477       11.76202  19.43735       
20.08278  -6.989338      14.51126  41.65683 16.31080 25.77089 11.88916 
15.88594       20.18401 
1 1 1 11  39 7  o 19.35435 9.650036 -33.64898      15.28849  -54.25116      
19.00865  4.092765       25.72799  19.58290 9.895441 36.14539 16.34909 
-16.56249      19.11053 
1 1 1 11  39 8  o 21.53729 10.44655 -17.33149      14.26264  -17.33149      
14.26264  0.000000       0.000000  21.53729 10.44655 ?        ?        
0.000000       10.44655 
1 1 1 11  40 0  o 52.28201 20.15047 29.53268       30.27912  0.000000       
0.000000  29.53268       30.27912  ?        ?        52.28201 20.15047 
0.000000       20.15047 
1 1 1 11  40 1  o 69.39102 6.109920 50.32374       8.533707  0.000000       
0.000000  50.32374       8.533707  ?        ?        69.39102 6.109920 
0.000000       6.109920 
1 1 1 11  40 2  o 107.5669 5.154037 119.5174       11.27399  115.5056       
31.80947  120.0937       12.05664  98.13189 16.52758 107.5651 5.530639 
-9.433212      17.42839 
1 1 1 11  40 3  o 48.75489 12.82114 27.77726       12.88078  6.482632       
29.74523  32.69208       14.29012  41.63822 18.27663 52.69128 13.32740 
-11.05306      22.61979 
1 1 1 11  40 4  o 79.71957 10.71275 71.19991       16.92717  55.53783       
25.70960  83.18439       22.48953  64.40624 18.59365 84.01682 13.63030 
-19.61058      23.05448 
1 1 1 11  40 5  o 32.33469 12.55816 9.627694       11.83066  -10.72675      
21.46340  18.51071       14.17911  30.29893 14.14162 39.86201 14.05668 
-9.563080      19.93930 
1 1 1 11  40 6  o 38.11330 12.86403 17.49972       11.82968  41.30629       
20.02188  4.732055       14.66264  54.60015 16.57713 30.64716 13.14235 
23.95299       21.15473 
1 1 1 11  40 7  o 33.24351 12.97963 12.01318       12.68973  9.190585       
14.44870  21.53476       26.53747  32.21664 13.38543 41.23961 17.68253 
-9.022972      22.17750 
1 1 1 11  40 8  o 32.38319 13.29351 11.17249       14.02066  11.17249       
14.02066  0.000000       0.000000  32.38319 13.29351 ?        ?        
0.000000       13.29351 
1 1 1 11  41 0  o 42.63869 18.54314 7.173880       30.00348  0.000000       
0.000000  7.173880       30.00348  ?        ?        42.63869 18.54314 
0.000000       18.54314 
1 1 1 11  41 1  o 122.5392 4.083553 154.2720       10.17571  186.0825       
35.65539  151.4514       10.61727  127.1911 14.01814 121.3447 4.302696 
5.846451       14.66361 
1 1 1 11  41 2  f 31.63895 11.08206 10.26487       8.803277  10.56536       
30.05273  10.23667       9.207152  42.99431 18.62784 31.82492 11.31590 
11.16939       21.79555 
1 1 1 11  41 3  o 36.61287 12.86821 14.61981       11.87453  26.09340       
28.10984  12.12763       13.10084  47.74815 19.10411 35.17548 13.32741 
12.57267       23.29349 
1 1 1 11  41 4  o 34.00298 12.40962 12.19535       11.15903  43.93782       
23.99550  3.436118       12.60499  56.37548 18.29887 28.89775 12.28311 
27.47773       22.03913 
1 1 1 11  41 5  o 38.46512 12.69334 17.80606       11.52839  -8.041534      
22.21060  27.33763       13.48753  31.00073 14.44116 46.60159 13.47139 
-15.60086      19.74906 
1 1 1 11  41 6  o 85.49902 7.471737 80.22846       12.86027  57.08312       
22.32880  91.71722       15.73150  62.52224 17.07879 90.33421 8.670316 
-27.81197      19.15358 
1 1 1 11  41 7  o 43.78481 14.80058 27.60133       15.65968  41.19071       
19.66013  4.016177       25.90036  51.44922 16.54973 34.13928 15.79671 
17.30994       22.87858 
1 1 1 11  42 0  o 67.03552 20.61721 61.16212       30.84160  0.000000       
0.000000  61.16212       30.84160  ?        ?        67.03552 20.61721 
0.000000       20.61721 
1 1 1 11  42 1  o 75.58253 15.09620 69.11962       22.39071  100.6843       
33.17205  42.70280       30.34673  87.56347 19.16165 56.37514 20.48123 
31.18833       28.04727 
1 1 1 11  42 2  o 109.3077 4.821528 123.7691       10.71733  164.5671       
34.66949  119.4585       11.26930  116.6644 14.95811 107.2403 5.167584 
9.424126       15.82558 
1 1 1 11  42 3  o 48.50795 10.58885 27.19278       10.15201  31.35918       
30.87214  26.68761       10.74986  49.12512 19.89124 47.70406 11.26205 
1.421055       22.85816 
1 1 1 11  42 4  o 62.16801 8.955257 43.29873       10.99467  39.09500       
21.56264  44.77565       12.78097  52.66901 17.35871 62.23523 10.47071 
-9.566223      20.27216 
1 1 1 11  42 5  o 16.39538 8.153418 -23.20297      10.62323  1.852446       
21.38903  -31.40748      12.23958  32.82031 14.87037 16.59552 8.327170 
16.22479       17.04317 
1 1 1 11  42 6  o 57.96411 10.24715 40.34134       11.63669  28.52726       
20.71204  45.79060       14.06670  43.21802 16.66331 60.28437 11.89699 
-17.06636      20.47448 
1 1 1 11  42 7  f 46.87822 15.03290 33.60877       16.23098  47.12778       
21.00859  13.59083       25.56432  52.72438 17.12254 35.65658 16.19526 
17.06779       23.56837 
1 1 1 11  43 0  o 92.24790 12.18278 97.53413       22.29445  112.8257       
33.59229  85.49645       29.80466  93.10977 18.39402 80.48200 18.58630 
12.62777       26.14939 
1 1 1 11  43 1  o 93.99003 12.16518 102.1410       22.70597  68.24003       
32.41252  134.8095       31.81792  67.78283 21.18370 104.5650 15.42692 
-36.78221      26.20570 
1 1 1 11  43 2  o 37.01513 10.07595 15.80347       7.787769  42.05347       
31.77849  14.12626       8.032711  53.37522 20.62325 35.04784 10.46852 
18.32738       23.12809 
1 1 1 11  43 3  o 84.18728 6.304589 75.55849       10.71494  122.4355       
31.30655  69.33867       11.40366  95.81132 16.67382 80.15753 7.068343 
15.65379       18.11016 
1 1 1 11  43 4  o 45.66853 11.45121 25.61707       10.61508  -4.646784      
22.26821  34.51630       12.07534  31.25537 14.52639 53.19146 11.49877 
-21.93609      18.52667 
1 1 1 11  43 5  o 45.61811 11.79987 26.54905       11.02870  44.29924       
21.73322  20.39282       12.79913  52.49515 17.43330 39.12933 13.37991 
13.36582       21.97594 
1 1 1 11  43 6  o 26.63748 11.33704 4.980729       10.76340  11.05748       
20.20271  2.572246       12.71879  33.66565 14.90734 26.64202 11.81119 
7.023632       19.01928 
1 1 1 11  44 0  o 73.68169 14.95782 67.78937       21.64647  81.34202       
32.81230  57.34602       28.80345  73.96020 20.89437 62.47622 20.02499 
11.48398       28.94089 
1 1 1 11  44 1  o 47.04504 17.06740 29.38756       21.06263  47.24205       
31.75146  15.35643       28.14727  55.10627 20.77943 41.65447 18.03749 
13.45181       27.51610 
1 1 1 11  44 2  o 39.30554 8.943679 17.70968       6.987707  72.69971       
30.58992  14.68227       7.177480  67.47548 20.49109 35.51569 9.675306 
31.95979       22.66046 
1 1 1 11  44 3  o 68.02496 7.031964 50.53934       9.586990  14.42253       
30.08164  54.62241       10.11440  39.74579 17.85491 70.67063 7.135729 
-30.92484      19.22801 
1 1 1 11  44 4  o 21.55921 9.829702 -2.882953      9.532528  3.423785       
21.38457  -4.446924      10.64909  32.36686 14.74390 22.03204 10.17148 
10.33483       17.91205 
1 1 1 11  44 5  o 81.77290 15.03666 96.07139       24.08277  0.000000       
0.000000  96.07139       24.08277  ?        ?        81.77290 15.03666 
0.000000       15.03666 
1 1 1 11  44 6  o 18.36776 8.889190 -11.54067      10.18066  -4.167150      
20.45210  -13.96957      11.73830  27.98194 13.28629 19.26772 9.375864 
8.714214       16.26137 
1 1 1 11  45 0  o 60.74838 16.37854 50.30019       20.69420  56.61742       
32.02961  45.77351       27.11304  58.56328 21.07565 54.66536 19.42048 
3.897923       28.65899 
1 1 1 11  45 1  f 79.29005 14.20801 80.42966       22.06741  73.32173       
34.07893  85.56213       28.95860  64.25545 21.83329 75.65715 18.88237 
-11.40170      28.86584 
1 1 1 11  45 2  o 41.74957 7.239488 19.42847       5.923481  34.81704       
30.07189  18.80729       6.041853  46.26262 19.27343 40.91741 7.539013 
5.345203       20.69545 
1 1 1 11  45 3  o 86.26060 5.574785 79.68806       9.726632  90.00782       
30.96477  78.55833       10.24521  70.98261 20.38061 85.35534 5.939542 
-14.37273      21.22846 
1 1 1 11  45 4  o 16.66870 8.206934 -16.70475      9.828285  -8.985796      
19.81320  -19.22399      11.31906  27.06176 12.91332 17.70630 8.734987 
9.355461       15.59019 
1 1 1 11  45 5  o 52.40416 13.99730 40.97574       15.19863  50.36074       
21.57606  31.73200       21.41307  52.13379 17.37288 41.38361 16.63272 
10.75018       24.05129 
1 1 1 11  46 0  o 58.50957 16.70091 49.76230       20.85178  46.41823       
30.96105  52.53820       28.20852  51.50340 20.22661 55.55048 19.80103 
-4.047085      28.30542 
1 1 1 11  46 1  o 32.51531 14.51323 5.446394       19.53836  -47.63221      
28.69134  51.34706       26.68090  26.26609 13.11580 54.15286 19.26225 
-27.88677      23.30361 
1 1 1 11  46 2  o 28.08622 13.16206 -4.903966      18.90887  -5.648460      
28.68335  -4.331747      25.14668  32.39950 15.48169 31.32508 14.83259 
1.074417       21.44034 
1 1 1 11  46 3  o 25.61937 10.04107 6.567321       7.616521  -4.044982      
28.07026  7.410739       7.913399  31.55527 15.14127 26.53909 10.28094 
5.016178       18.30180 
1 1 1 11  46 4  f 30.13065 11.72640 11.30393       10.33192  41.26654       
21.19536  1.965216       11.83299  46.40477 17.07733 25.09211 11.24030 
21.31266       20.44455 
1 1 1 11  47 0  o 27.65234 13.08649 -8.264115      19.52281  -14.97335      
28.20517  -2.093233      27.04991  30.60328 14.80705 32.84435 15.50072 
-2.241070      21.43644 
1 1 1 11  47 1  o 37.61310 15.58262 20.21994       19.50082  38.67204       
29.35718  5.648591       26.08803  44.36692 18.79652 33.66949 15.67321 
10.69742       24.47363 
1 1 1 11  47 2  o 49.32790 16.67562 42.55637       19.87877  43.96166       
31.23641  41.59981       25.77102  43.96982 19.02083 45.05305 18.19778 
-1.083229      26.32396 
1 1 1 11  47 3  o 26.78687 9.888165 8.492340       7.114807  8.146571       
28.03650  8.516140       7.355594  32.65968 15.52149 26.87740 10.02771 
5.782284       18.47895 
1 1 1 11  48 0  o 84.94923 12.89935 97.65103       21.58274  120.5944       
35.25654  83.90011       27.29465  76.10751 21.71378 67.64142 19.03842 
8.466095       28.87819 
1 1 1 11  48 1  o 34.15410 14.79335 16.21822       18.94243  54.31000       
32.41302  -3.539156      23.34363  45.76595 19.58057 29.12581 13.93104 
16.64014       24.03065 
1 1 1 11  48 2  o 29.98634 13.68552 7.795118       18.53568  23.70657       
28.45133  -3.938398      24.43215  35.79842 16.56158 28.70766 13.86357 
7.090759       21.59826 
1 1 1 11  48 3  o 55.81383 6.464260 35.49802       7.201084  0.3612030E-01  
26.42862  38.34190       7.484262  29.23797 14.19058 58.03664 6.450688 
-28.79867      15.58794 
1 1 1 11  49 0  o 30.07056 13.71963 7.736646       18.60970  -6.308874      
28.09690  18.71405       24.83930  29.45500 14.37087 34.53545 15.79305 
-5.080450      21.35281 
1 1 1 11  49 1  o 42.66852 15.80482 35.33755       18.20746  58.19201       
28.26467  19.12693       23.80446  46.26395 18.91951 33.71061 15.43224 
12.55334       24.41520 
1 1 1 11  49 2  o 34.90549 14.91839 23.60535       18.77991  18.10682       
28.85234  27.64736       24.73757  32.50082 15.52930 35.20011 15.96609 
-2.699291      22.27275 
1 1 1 11  50 0  f 28.73125 13.27492 7.873990       18.19263  -4.172892      
27.74389  16.96153       24.09646  28.28294 13.89845 32.12504 14.99059 
-3.842100      20.44223 
1 1 1 12  0  0  o 173.1668 9.968288 308.5653       34.83625  308.5653       
34.83625  308.5653       34.83625  173.1668 9.968288 173.1668 9.968288 
0.000000       0.000000 
1 1 1 12  0  1  o 536.4020 7.556760 2931.656       82.39165  2931.656       
82.39165  2931.656       82.39165  536.4020 7.556760 536.4020 7.556760 
0.000000       0.000000 
1 1 1 12  0  2  f 114.0613 10.67630 136.1949       24.26479  136.1949       
24.26479  136.1949       24.26479  114.0613 10.67630 114.0613 10.67630 
0.000000       0.000000 
1 1 1 12  0  3  o 79.23525 15.48892 71.17078       22.22820  71.17078       
22.22820  71.17078       22.22820  79.23525 15.48892 79.23525 15.48892 
0.000000       0.000000 
1 1 1 12  0  4  o 32.24957 21.39159 -8.674661      37.11277  -8.674661      
37.11277  -8.674661      37.11277  32.24957 21.39159 32.24957 21.39159 
0.000000       0.000000 
1 1 1 12  0  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  0  6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  0  7  o 100.4003 11.49968 107.5105       22.68131  107.5105       
22.68131  107.5105       22.68131  100.4003 11.49968 100.4003 11.49968 
0.000000       0.000000 
1 1 1 12  0  8  o 78.15123 15.11640 69.74287       21.43619  69.74287       
21.43619  69.74287       21.43619  78.15123 15.11640 78.15123 15.11640 
0.000000       0.000000 
1 1 1 12  0  9  o 18.65521 13.18923 -24.38266      20.39631  -24.38266      
20.39631  -24.38266      20.39631  18.65521 13.18923 18.65521 13.18923 
0.000000       0.000000 
1 1 1 12  0  10 o 290.8571 11.00199 877.7896       64.86187  877.7896       
64.86187  877.7896       64.86187  290.8571 11.00199 290.8571 11.00199 
0.000000       0.000000 
1 1 1 12  0  11 o 166.9470 8.560515 288.9105       28.88788  288.9105       
28.88788  288.9105       28.88788  166.9470 8.560515 166.9470 8.560515 
0.000000       0.000000 
1 1 1 12  0  12 o 94.74769 13.44724 99.74129       24.40193  99.74129       
24.40193  99.74129       24.40193  94.74769 13.44724 94.74769 13.44724 
0.000000       0.000000 
1 1 1 12  0  13 o 89.48457 16.59232 94.80186       27.14146  94.80186       
27.14146  94.80186       27.14146  89.48457 16.59232 89.48457 16.59232 
0.000000       0.000000 
1 1 1 12  0  14 o 43.75728 25.19649 38.69620       35.98431  38.69620       
35.98431  38.69620       35.98431  43.75728 25.19649 43.75728 25.19649 
0.000000       0.000000 
1 1 1 12  0  15 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  1  0  o 217.8812 5.456361 483.3031       24.17544  473.5794       
40.11556  488.8486       30.29467  215.4269 9.157174 219.0497 6.800991 
-3.622787      11.40646 
1 1 1 12  1  1  o 188.8864 5.556581 363.3402       21.34320  361.3899       
26.11581  367.2627       37.03618  188.3029 6.820166 189.3574 9.650174 
-1.054459      11.81696 
1 1 1 12  1  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  1  3  o 141.8068 8.695563 206.3836       24.95424  206.3836       
24.95424  0.000000       0.000000  141.8068 8.695563 ?        ?        
0.000000       8.695563 
1 1 1 12  1  4  o 46.51776 14.15555 22.52031       14.58740  42.64102       
20.74689  2.847872       20.51447  62.85351 16.14637 37.80802 15.84821 
25.04549       22.62457 
1 1 1 12  1  5  o 97.06702 7.599192 96.95796       14.88022  124.1340       
22.02583  74.14043       20.18242  109.4789 10.00407 83.91100 12.18392 
25.56789       15.76481 
1 1 1 12  1  6  o 366.3557 4.764073 1368.380       35.49219  1370.036       
50.64869  1366.781       49.75044  366.0618 6.803970 365.6599 6.690648 
0.4018860      9.542472 
1 1 1 12  1  7  o 95.93507 9.587651 95.64975       18.45380  40.74421       
35.31828  116.2683       21.64315  63.71191 22.20387 105.7243 10.19315 
-42.01244      24.43179 
1 1 1 12  1  8  o 81.49582 13.73516 71.22429       21.95316  0.000000       
0.000000  71.22429       21.95316  ?        ?        81.49582 13.73516 
0.000000       13.73516 
1 1 1 12  1  9  o 153.9232 10.48784 246.5962       32.63213  0.000000       
0.000000  246.5962       32.63213  ?        ?        153.9232 10.48784 
0.000000       10.48784 
1 1 1 12  1  10 o 57.58385 20.07705 33.79226       28.87785  33.10905       
44.93566  34.27295       37.69162  62.59626 24.42908 60.60069 22.68173 
1.995564       33.33527 
1 1 1 12  1  11 o 113.0103 7.957544 132.2538       18.17051  109.9068       
25.72339  154.5092       25.67064  101.4942 12.74439 121.4137 10.50060 
-19.91950      16.51309 
1 1 1 12  1  12 o 37.88717 14.47425 11.43796       15.53306  41.94730       
22.67207  -15.55110      21.32400  60.88498 17.42698 30.87459 14.30274 
30.01039       22.54480 
1 1 1 12  1  13 o 80.42992 10.64231 69.47645       16.97875  62.31356       
19.14461  95.86902       36.74883  75.14657 12.99856 89.06857 20.68551 
-13.92200      24.43057 
1 1 1 12  1  14 o 29.29960 13.12530 -4.320851      16.13521  -7.931681      
22.51545  -0.5087644     23.13441  33.36850 15.17252 36.38601 16.03998 
-3.017506      22.07909 
1 1 1 12  1  15 o 36.86028 14.50824 11.89810       15.96272  17.33806       
22.48118  6.366663       22.66939  42.79719 17.09834 37.91306 16.30201 
4.884129       23.62432 
1 1 1 12  2  0  o 78.85712 9.177154 64.30872       14.44112  84.50477       
21.75569  48.40096       19.30830  90.07047 12.19115 67.41537 14.51369 
22.65511       18.95446 
1 1 1 12  2  1  o 292.5013 5.101594 871.0931       30.34486  913.3255       
54.10245  851.7099       36.65287  299.0956 8.895196 289.1323 6.233902 
9.963318       10.86214 
1 1 1 12  2  2  o 317.1397 5.203832 1024.374       33.56025  0.000000       
0.000000  1024.374       33.56025  ?        ?        317.1397 5.203832 
0.000000       5.203832 
1 1 1 12  2  3  o 257.2235 5.610735 674.3341       29.34823  662.7608       
34.96756  701.9156       53.98168  254.8719 6.746710 261.7278 10.14250 
-6.855927      12.18148 
1 1 1 12  2  4  o 80.45692 9.143900 67.14748       14.69477  65.04901       
21.32471  69.04497       20.27788  78.19355 13.92128 80.87751 12.75189 
-2.683960      18.87890 
1 1 1 12  2  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  2  6  o 150.4019 7.850073 232.3219       23.92598  0.000000       
0.000000  232.3219       23.92598  ?        ?        150.4019 7.850073 
0.000000       7.850073 
1 1 1 12  2  7  o 119.9834 6.647567 147.6981       16.15607  164.3392       
23.40256  132.5457       22.33133  126.0869 9.190580 113.0276 9.813196 
13.05927       13.44491 
1 1 1 12  2  8  o 27.95285 12.64621 -7.958875      15.40314  -42.00331      
24.94134  13.03122       19.58411  28.16980 13.69823 42.05062 16.20603 
-13.88083      21.21973 
1 1 1 12  2  9  o 69.03406 12.23705 51.09224       16.54982  58.25277       
21.86626  41.48943       25.32217  72.97857 15.22668 61.56895 18.63142 
11.40962       24.06203 
1 1 1 12  2  10 o 56.33526 16.08201 34.78766       19.33390  -0.3835072     
39.71410  45.71242       22.13387  48.97168 21.31565 64.16462 16.77470 
-15.19294      27.12467 
1 1 1 12  2  11 o 179.1462 8.359655 331.2646       30.45421  0.000000       
0.000000  331.2646       30.45421  ?        ?        179.1462 8.359655 
0.000000       8.359655 
1 1 1 12  2  12 o 29.87358 14.21265 -26.92586      23.63033  -36.32586      
29.52157  -10.16325      39.42270  32.59725 15.61114 45.27597 20.38031 
-12.67872      25.67226 
1 1 1 12  2  13 o 79.32753 10.56866 67.57840       16.62467  75.03445       
18.54399  37.04943       37.52363  83.38408 11.22113 59.19984 22.52522 
24.18424       25.16543 
1 1 1 12  2  14 o 53.57457 14.73803 33.52172       16.55927  57.88993       
23.75006  10.46890       23.10015  69.31211 16.98330 40.83395 16.94192 
28.47816       23.98877 
1 1 1 12  2  15 o 41.95974 15.67351 18.72717       17.98050  19.47426       
22.42518  17.38226       30.08821  43.84643 17.21581 45.57176 19.15253 
-1.725330      25.75274 
1 1 1 12  3  0  o 328.0663 4.387861 1095.253       29.27291  1113.400       
41.68772  1077.602       41.11452  330.6327 6.200274 325.2726 6.215789 
5.360077       8.779490 
1 1 1 12  3  1  o 38.42458 14.59503 10.73592       15.73637  -35.47490      
27.82380  32.46943       19.08136  32.32885 15.39235 55.52509 16.01524 
-23.19624      22.21289 
1 1 1 12  3  2  o 232.2699 5.382770 549.5476       25.42437  0.000000       
0.000000  549.5476       25.42437  ?        ?        232.2699 5.382770 
0.000000       5.382770 
1 1 1 12  3  3  o 274.6052 5.585272 768.5532       31.18922  738.3555       
37.17782  840.3011       57.30631  269.0025 6.796357 286.4211 9.838888 
-17.41861      11.95802 
1 1 1 12  3  4  o 125.9406 6.369992 162.2736       16.26081  181.5252       
23.00133  143.0390       22.99119  132.9047 8.556087 117.7194 9.690288 
15.18534       12.92704 
1 1 1 12  3  5  o 317.7322 4.625746 1028.796       29.88783  983.7587       
42.08549  1074.623       42.45245  310.3206 6.669149 324.3878 6.435567 
-14.06726      9.267906 
1 1 1 12  3  6  f 44.77010 13.87520 20.82604       13.93835  2.804028       
19.83790  38.39701       19.58809  37.07308 15.56468 59.50755 15.88858 
-22.43447      22.24199 
1 1 1 12  3  7  o 66.60350 11.15601 47.05056       14.57539  46.32113       
20.83494  47.74969       20.39746  65.12552 15.87612 66.18931 15.43770 
-1.063789      22.14438 
1 1 1 12  3  8  f 113.7350 7.583854 133.2812       17.43967  146.8965       
30.65978  126.7690       21.20410  117.9945 12.99314 110.4848 9.530966 
7.509674       16.11400 
1 1 1 12  3  9  o 194.9851 9.259175 392.4193       36.71345  0.000000       
0.000000  392.4193       36.71345  ?        ?        194.9851 9.259175 
0.000000       9.259175 
1 1 1 12  3  10 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  3  11 o 196.0163 5.601041 393.3464       22.32608  395.0101       
31.80723  391.7307       31.34551  195.7412 7.990836 194.9551 7.906590 
0.7860565      11.24134 
1 1 1 12  3  12 o 46.99807 15.70389 23.15767       17.62746  34.49541       
19.86730  -18.79105      38.21510  55.59025 16.43094 42.40784 19.46493 
13.18241       25.47271 
1 1 1 12  3  13 o 76.27258 14.15048 65.07771       21.13969  69.43618       
25.68135  55.91813       37.22965  77.53457 16.77547 67.78354 22.82130 
9.751030       28.32364 
1 1 1 12  3  14 o 33.60104 15.20192 -6.530534      22.25965  19.67499       
30.45780  -36.57467      32.61234  48.06383 19.64587 33.59924 16.17307 
14.46459       25.44658 
1 1 1 12  3  15 o 36.44577 15.64423 5.567075       20.81294  21.44725       
28.92937  -11.47141      29.96586  46.77418 19.13586 36.46592 16.91484 
10.30826       25.54003 
1 1 1 12  4  0  o 332.4947 4.399785 1125.046       29.74867  1070.841       
41.16327  1184.311       43.04150  324.2424 6.242932 340.9923 6.207138 
-16.74994      8.803566 
1 1 1 12  4  1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  4  2  o 397.6964 5.343388 1611.110       43.21354  1473.275       
71.68291  1689.799       54.16182  379.5988 9.286227 407.1057 6.542361 
-27.50690      11.35942 
1 1 1 12  4  3  o 95.05594 8.259669 93.04441       15.80718  110.4718       
23.34720  78.29455       21.47895  103.1225 11.31962 86.34789 12.60372 
16.77463       16.94071 
1 1 1 12  4  4  o 172.3587 5.362978 302.8566       18.79709  288.0019       
26.58718  317.7023       26.57903  167.8327 7.790124 176.3206 7.412840 
-8.487946      10.75343 
1 1 1 12  4  5  o 76.68243 9.631115 61.30176       14.68709  86.09797       
22.11212  41.72594       19.64706  90.49167 12.33786 62.06671 15.58778 
28.42496       19.87968 
1 1 1 12  4  6  o 239.6050 6.483863 586.7364       31.59230  0.000000       
0.000000  586.7364       31.59230  ?        ?        239.6050 6.483863 
0.000000       6.483863 
1 1 1 12  4  7  o 52.81420 13.23291 30.16215       14.18292  48.69288       
20.91036  14.37334       19.30145  66.79727 15.66526 42.75049 16.18171 
24.04678       22.52217 
1 1 1 12  4  8  o 221.7995 5.423396 502.5231       24.46152  515.7170       
42.23977  495.8655       30.00498  223.6955 9.285662 220.0566 6.705133 
3.638840       11.45349 
1 1 1 12  4  9  o 172.0040 6.293112 302.9359       22.01180  332.8506       
29.11612  263.0321       33.62781  179.9197 7.957990 158.9743 10.46050 
20.94536       13.14351 
1 1 1 12  4  10 o 40.68330 14.52912 15.34543       15.19426  5.091597       
22.14042  24.47370       20.88993  39.58211 16.51790 49.47708 17.08584 
-9.894974      23.76483 
1 1 1 12  4  11 o 246.9369 5.153485 623.6412       25.87846  603.4907       
36.37694  644.2883       36.82246  242.1709 7.386741 250.2834 7.234845 
-8.112549      10.33958 
1 1 1 12  4  12 o 122.4590 7.979791 155.7805       19.76308  161.1443       
22.56208  138.0963       40.96687  124.2073 8.993527 110.0569 18.99099 
14.15042       21.01289 
1 1 1 12  4  13 o 197.5016 6.310741 402.4748       25.34559  442.1271       
30.60953  315.9934       45.20470  206.4999 7.289292 170.4996 13.13921 
36.00032       15.02573 
1 1 1 12  4  14 o 73.29279 11.20602 59.24780       16.17122  47.67117       
18.31521  100.1923       34.44441  64.03115 14.41357 89.65819 19.45126 
-25.62704      24.20955 
1 1 1 12  4  15 o 53.27475 15.54966 34.81420       17.89277  26.07822       
22.66969  49.24843       29.13980  47.41090 17.62080 60.39709 20.19085 
-12.98618      26.79856 
1 1 1 12  5  0  o 80.22424 8.923051 66.48309       14.31031  75.34196       
20.94343  58.72503       19.59905  84.88464 12.50786 74.57586 13.41700 
10.30878       18.34291 
1 1 1 12  5  1  o 106.1566 13.68646 117.6159       28.85726  117.6159       
28.85726  0.000000       0.000000  106.1566 13.68646 ?        ?        
0.000000       13.68646 
1 1 1 12  5  2  o 420.1649 4.831174 1797.757       41.27850  1778.862       
80.53224  1804.490       48.07401  417.0319 9.496183 420.8369 5.617526 
-3.805023      11.03332 
1 1 1 12  5  3  o 237.0392 4.769201 572.3265       22.98885  599.2897       
33.85869  549.2659       31.31266  242.3241 6.871034 232.0192 6.636584 
10.30493       9.552767 
1 1 1 12  5  4  o 283.9960 5.466329 822.3582       31.56890  794.9106       
37.95772  883.9396       56.85564  279.0225 6.689744 293.6040 9.522701 
-14.58157      11.63763 
1 1 1 12  5  5  o 136.6545 6.135249 190.6557       17.04934  180.4392       
25.10858  199.3964       23.22432  132.2558 9.397058 139.2855 8.236076 
-7.029755      12.49551 
1 1 1 12  5  6  o 168.8289 5.327573 290.8317       18.29059  273.9050       
26.19147  306.9444       25.55392  163.5023 7.877427 173.1830 7.256057 
-9.680710      10.71001 
1 1 1 12  5  7  o 60.69101 12.08885 39.50033       14.39561  51.19363       
21.50457  30.00535       19.37802  68.47585 15.76901 53.19124 16.33961 
15.28461       22.70781 
1 1 1 12  5  8  o 182.2325 5.811996 339.4805       21.53786  357.9483       
36.23758  329.3934       26.78155  186.0207 9.612423 179.2165 7.348628 
6.804214       12.09963 
1 1 1 12  5  9  o 202.1331 5.183783 417.4386       21.30765  420.7977       
31.46313  414.5929       28.95947  202.3728 7.645365 201.0234 7.084229 
1.349472       10.42295 
1 1 1 12  5  10 o 189.8701 5.412012 368.6598       20.89617  387.2919       
30.15712  351.4525       28.98124  194.0581 7.641994 184.8424 7.710167 
9.215652       10.85572 
1 1 1 12  5  11 o 81.21567 13.11179 71.18775       20.91711  80.77254       
24.56930  45.94421       39.87280  86.09019 14.55291 65.82130 23.53313 
20.26889       27.66940 
1 1 1 12  5  12 o 159.2713 6.672595 261.1562       21.61144  268.7429       
24.75412  236.8381       44.31834  161.2898 7.547254 147.4187 14.99220 
13.87112       16.78473 
1 1 1 12  5  13 o 21.98049 10.67243 -24.00150      14.98847  -20.25581      
16.45050  -42.30877      36.36843  24.52269 11.71969 35.69192 17.15486 
-11.16923      20.77595 
1 1 1 12  5  14 o 26.77290 12.35952 -9.696016      15.72031  -18.87858      
17.72402  24.16728       34.03650  25.86835 12.30766 50.86845 20.77734 
-25.00010      24.14905 
1 1 1 12  6  0  o 163.2198 5.702569 271.2960       18.92757  303.0623       
33.56195  256.4807       22.92022  171.9970 9.634419 158.6325 7.105182 
13.36456       11.97103 
1 1 1 12  6  1  o 358.8247 6.208850 1312.007       45.30488  0.000000       
0.000000  1312.007       45.30488  ?        ?        358.8247 6.208850 
0.000000       6.208850 
1 1 1 12  6  2  o 368.8639 5.196956 1385.963       38.98222  1363.885       
68.10347  1396.721       47.54065  365.2064 9.170213 370.1307 6.316241 
-4.924255      11.13498 
1 1 1 12  6  3  o 139.3607 6.099326 198.0666       17.28517  207.9240       
26.13521  190.4023       23.04518  142.2428 9.082743 136.2057 8.360618 
6.037033       12.34488 
1 1 1 12  6  4  o 303.4518 9.652255 944.6301       59.56210  0.000000       
0.000000  944.6301       59.56210  ?        ?        303.4518 9.652255 
0.000000       9.652255 
1 1 1 12  6  5  o 262.8228 4.645558 704.0254       24.82861  749.5347       
37.04313  666.9030       33.45612  270.8292 6.726059 255.5182 6.438759 
15.31099       9.311149 
1 1 1 12  6  6  o 199.9684 4.900593 407.8092       19.92789  410.8868       
29.10591  405.0935       27.34138  200.3817 7.142851 199.0312 6.755349 
1.350525       9.831330 
1 1 1 12  6  7  o 57.14701 12.42486 35.19339       14.02730  22.81829       
20.98354  45.19154       18.86098  48.81367 17.10885 64.45792 14.71327 
-15.64425      22.56531 
1 1 1 12  6  8  o 144.5643 8.073442 215.3900       23.63919  0.000000       
0.000000  215.3900       23.63919  ?        ?        144.5643 8.073442 
0.000000       8.073442 
1 1 1 12  6  9  o 74.72672 12.87548 59.99631       18.85922  88.50411       
41.47261  52.56442       21.17527  87.56181 22.99588 69.14951 15.44824 
18.41229       27.70304 
1 1 1 12  6  10 o 120.4137 7.201872 149.4605       17.55401  130.0372       
25.07071  168.1410       24.58661  111.1775 11.24372 127.0995 9.583184 
-15.92203      14.77358 
1 1 1 12  6  11 o 158.8596 7.497830 259.8813       24.22146  265.5658       
28.66059  245.6748       45.30882  159.9618 8.845199 151.0213 14.94980 
8.940506       17.37049 
1 1 1 12  6  12 o 68.48435 13.27316 51.56828       17.81748  59.78469       
20.34571  24.53414       36.90524  73.54733 14.11695 54.93626 21.92075 
18.61106       26.07312 
1 1 1 12  6  13 o 84.84903 9.606976 76.66756       16.28411  77.27792       
18.07718  74.04066       37.50255  84.72991 10.73221 76.65527 22.55146 
8.074646       24.97496 
1 1 1 12  6  14 o 41.42768 14.48339 18.41504       15.03302  18.32249       
16.86766  18.77239       33.14563  41.97816 15.26672 48.41047 20.20694 
-6.432312      25.32574 
1 1 1 12  7  0  o 112.5968 6.876524 129.6890       15.66966  141.1672       
26.32916  123.3937       19.49888  116.9380 11.20945 109.6000 8.823535 
7.338081       14.26557 
1 1 1 12  7  1  o 189.7037 4.768267 366.3980       18.39449  333.4023       
35.60374  378.4122       21.48387  180.3192 9.745804 192.7474 5.481161 
-12.42815      11.18141 
1 1 1 12  7  2  o 325.9567 5.040962 1082.224       33.41371  941.4808       
55.30209  1163.145       41.93330  303.4389 8.962288 337.7828 6.104781 
-34.34390      10.84394 
1 1 1 12  7  3  o 209.8884 4.920777 448.8241       21.00262  468.4956       
31.93324  433.8276       27.88170  214.1750 7.332006 206.1802 6.649990 
7.994797       9.898520 
1 1 1 12  7  4  o 328.8511 5.459581 1102.783       36.50986  1084.230       
44.27698  1142.196       64.53389  325.8362 6.682318 333.6864 9.510382 
-7.850128      11.62328 
1 1 1 12  7  5  o 138.1935 5.896052 194.9435       16.56916  185.0302       
24.17140  203.7307       22.75715  134.0063 8.921013 140.8228 7.979623 
-6.816574      11.96908 
1 1 1 12  7  6  o 126.8517 6.324647 164.4525       16.31488  164.9737       
23.93671  164.0003       22.29602  126.3293 9.384746 126.0893 8.749715 
0.2399826      12.83086 
1 1 1 12  7  7  o 26.65297 12.01079 -6.637685      13.73654  -17.82856      
20.86162  1.928280       18.25174  30.16969 14.03455 35.19120 14.86005 
-5.021513      20.43991 
1 1 1 12  7  8  o 40.77129 14.13391 15.94273       14.30180  11.24872       
21.03218  19.98005       19.50558  41.97151 16.61093 46.19164 16.46552 
-4.220123      23.38881 
1 1 1 12  7  9  o 127.4351 7.803783 167.5855       20.12559  195.1144       
44.75954  160.6095       22.53173  134.2048 16.76668 124.4519 8.963119 
9.752876       19.01208 
1 1 1 12  7  10 x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  7  11 o 75.07731 14.09748 61.65203       20.73256  71.74325       
24.87938  38.71933       37.50554  80.51141 15.76021 61.87711 22.72503 
18.63431       27.65522 
1 1 1 12  7  12 o 41.33752 15.57673 14.80614       17.83500  16.88185       
20.57067  8.521897       35.79248  44.04903 16.69758 48.53157 20.66500 
-4.482540      26.56786 
1 1 1 12  7  13 o 20.43188 10.06954 -30.32490      14.91569  -37.67884      
16.61518  0.2069669      33.85490  20.77262 10.30759 43.86932 19.36793 
-23.09670      21.93999 
1 1 1 12  7  14 o 34.23115 13.59284 8.829402       14.12729  7.524591       
15.69983  14.38140       32.38517  34.54296 14.11043 46.38934 19.70250 
-11.84638      24.23413 
1 1 1 12  8  0  o 252.3637 4.840387 648.3407       24.84039  658.4663       
42.18533  642.9664       30.73355  254.0419 8.165910 251.2325 6.015691 
2.809494       10.14252 
1 1 1 12  8  1  o 406.4770 4.693660 1682.206       38.79708  1676.615       
77.97196  1684.045       44.72700  404.9644 9.468261 406.6093 5.409299 
-1.644928      10.90452 
1 1 1 12  8  2  o 192.5899 5.228330 377.8813       20.47613  350.6616       
36.48040  390.4011       24.74104  184.8175 9.740952 195.6735 6.217767 
-10.85599      11.55624 
1 1 1 12  8  3  o 56.59607 12.52745 34.27488       14.03675  35.86213       
20.48899  32.87101       19.26904  57.97663 16.55713 55.62901 16.10790 
2.347618       23.09985 
1 1 1 12  8  4  o 299.8071 4.615015 915.8813       28.13627  928.5504       
41.05859  904.6647       38.63345  301.5159 6.696416 297.6741 6.382208 
3.841766       9.250652 
1 1 1 12  8  5  o 206.2548 4.874054 433.7398       20.44306  431.4701       
29.95861  435.7176       27.96586  205.3845 7.173029 206.4777 6.660449 
-1.093216      9.788459 
1 1 1 12  8  6  o 168.3833 5.401280 289.3877       18.49469  270.4252       
27.70499  304.6310       24.83984  162.1158 8.433015 172.5248 7.080205 
-10.40897      11.01113 
1 1 1 12  8  7  o 141.1037 6.393803 203.6699       18.34632  232.4579       
31.39237  188.7372       22.60926  149.6689 10.37844 135.3166 8.255942 
14.35237       13.26170 
1 1 1 12  8  8  o 153.7745 5.691614 241.7471       17.79800  259.0731       
26.98347  228.4046       23.67932  158.4670 8.403543 148.9057 7.847707 
9.561340       11.49809 
1 1 1 12  8  9  o 73.64520 12.94122 58.39437       18.67348  79.99258       
42.59113  53.25464       20.77687  83.03739 23.92015 69.65373 15.10358 
13.38366       28.28943 
1 1 1 12  8  10 o 32.57112 13.99897 -0.1463232     16.70368  11.78341       
23.07242  -13.28586      24.21406  43.32444 17.31720 34.32293 15.65587 
9.001507       23.34506 
1 1 1 12  8  11 o 237.6114 6.115501 579.1694       29.54954  614.0165       
36.55215  513.4346       50.20272  244.1719 7.361493 221.1787 11.19825 
22.99313       13.40121 
1 1 1 12  8  12 o 194.5818 5.998418 389.1673       23.73506  385.9670       
27.40097  398.7849       47.50089  193.4164 6.966605 193.4412 12.13688 
-0.2479553E-01 13.99420 
1 1 1 12  8  13 o 40.79671 14.67722 16.53088       15.53265  11.08373       
17.36503  38.33206       34.74010  38.27343 15.11055 58.50241 21.79929 
-20.22898      26.52428 
1 1 1 12  8  14 o 33.95796 13.47398 8.756672       13.87143  8.693233       
15.38506  9.032319       32.07003  34.94931 14.08024 44.27833 19.21351 
-9.329025      23.82042 
1 1 1 12  9  0  o 380.4608 6.322412 1474.986       48.91523  1474.986       
48.91523  0.000000       0.000000  380.4608 6.322412 ?        ?        
0.000000       6.322412 
1 1 1 12  9  1  o 171.4272 4.990282 299.2771       17.39628  259.9365       
32.84936  314.6105       20.50815  159.0388 10.21113 175.7188 5.739274 
-16.67993      11.71351 
1 1 1 12  9  2  o 210.2243 4.577995 450.0686       19.57085  402.8405       
37.79059  467.3770       22.87769  198.3864 9.367427 214.1746 5.252825 
-15.78816      10.73969 
1 1 1 12  9  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  9  4  o 63.28652 11.04127 42.39546       13.69278  39.39532       
21.03126  44.60289       18.04008  60.42068 16.60434 64.35303 14.16886 
-3.932358      21.82798 
1 1 1 12  9  5  o 41.49163 13.74822 17.10024       13.51908  38.02298       
20.24946  0.2750282      18.15869  59.27112 16.29460 34.42246 14.68967 
24.84866       21.93856 
1 1 1 12  9  6  o 42.98624 13.98738 18.72560       14.01697  29.49089       
21.65526  10.96298       18.38884  53.43890 17.38551 40.15236 15.63928 
13.28655       23.38468 
1 1 1 12  9  7  o 150.1122 6.149420 230.4334       18.77161  268.1774       
32.22039  211.0395       23.09616  160.9207 9.894124 143.1642 7.964816 
17.75653       12.70165 
1 1 1 12  9  8  o 188.8567 5.130667 364.3001       19.70415  365.8824       
29.40717  363.0110       26.54402  188.7410 7.661883 188.1695 6.936911 
0.5714874      10.33563 
1 1 1 12  9  9  o 167.3193 5.593929 286.3634       19.03331  312.0626       
29.41584  267.8554       24.96325  174.0388 8.311582 161.4132 7.605199 
12.62563       11.26594 
1 1 1 12  9  10 o 38.76110 16.61514 1.119642       23.41855  1.119642       
23.41855  0.000000       0.000000  38.76110 16.61514 ?        ?        
0.000000       16.61514 
1 1 1 12  9  11 o 168.8033 6.696185 292.9029       22.98581  298.5393       
27.15406  278.6538       43.17439  170.0741 7.851363 161.6381 13.25155 
8.436005       15.40284 
1 1 1 12  9  12 o 102.4383 9.473133 110.5408       19.51018  105.3675       
22.56829  125.8438       38.81531  99.23395 11.39012 104.3759 18.98683 
-5.141937      22.14124 
1 1 1 12  9  13 o 37.84001 14.30554 12.70737       15.07351  13.95243       
17.07647  8.314309       32.07642  39.77132 15.18054 45.31330 19.43517 
-5.541988      24.66120 
1 1 1 12  9  14 o 47.65864 13.62975 26.43595       13.87428  33.61613       
15.33013  -6.072059      32.61920  53.50419 13.94725 39.90815 18.19091 
13.59604       22.92236 
1 1 1 12  10 0  f 105.6831 5.968585 114.1553       12.77463  136.5878       
18.64628  94.31282       17.53682  115.4181 7.993724 95.65305 9.126446 
19.76509       12.13226 
1 1 1 12  10 1  o 226.5320 4.430532 522.4620       20.40971  553.7545       
42.80465  513.2543       23.21907  232.7308 9.044522 224.4798 5.086467 
8.250992       10.37668 
1 1 1 12  10 2  o 159.1787 4.963877 258.1321       16.06784  278.7250       
32.95358  251.7093       18.40378  164.6393 9.888610 157.1327 5.759557 
7.506607       11.44365 
1 1 1 12  10 3  o 381.0692 8.845900 1487.244       68.54839  0.000000       
0.000000  1487.244       68.54839  ?        ?        381.0692 8.845900 
0.000000       8.845900 
1 1 1 12  10 4  o 271.5273 4.545078 751.3052       25.09610  796.7947       
38.04319  716.2581       33.39238  279.2624 6.699047 264.8649 6.199712 
14.39752       9.127631 
1 1 1 12  10 5  o 206.8386 5.891695 436.8553       24.78126  431.2036       
30.02720  448.9266       43.88363  205.2820 7.193040 208.7552 10.33746 
-3.473129      12.59376 
1 1 1 12  10 6  f 73.73956 9.574161 56.88643       14.01785  40.64432       
20.79251  70.41991       18.97975  61.04388 16.40025 81.65446 11.77033 
-20.61057      20.18684 
1 1 1 12  10 7  o 184.8942 5.532452 349.2545       20.80139  359.8063       
35.66762  343.8158       25.60713  186.5930 9.430572 183.2119 6.873150 
3.381119       11.66944 
1 1 1 12  10 8  o 180.1798 5.251526 331.7054       19.24168  335.1635       
29.37512  329.1066       25.46543  180.5370 8.001328 179.1364 6.990622 
1.400589       10.62497 
1 1 1 12  10 9  o 74.97289 10.65918 59.50440       15.79336  53.91881       
24.14550  63.68102       20.87920  69.52561 17.17798 76.63547 13.91008 
-7.109856      22.10369 
1 1 1 12  10 10 o 277.7922 7.253258 793.4667       40.97364  793.4667       
40.97364  0.000000       0.000000  277.7922 7.253258 ?        ?        
0.000000       7.253258 
1 1 1 12  10 11 o 136.8026 7.573888 193.6071       20.98790  208.1847       
24.49238  153.3189       40.71706  141.5467 8.549143 117.2996 17.61394 
24.24715       19.57903 
1 1 1 12  10 12 o 93.66642 9.998716 93.03104       18.75062  91.82486       
21.67858  96.61351       37.36087  92.31500 11.81940 89.88375 20.84495 
2.431252       23.96268 
1 1 1 12  10 13 o 45.28694 14.77212 22.68959       15.63032  17.93052       
17.66523  39.84996       33.54451  42.51208 15.59867 58.57216 21.49451 
-16.06008      26.55810 
1 1 1 12  10 14 o 65.75655 11.31439 48.43805       14.58376  47.47813       
16.27885  52.34056       32.82314  64.23559 12.91011 62.45600 21.42556 
1.779587       25.01450 
1 1 1 12  11 0  o 184.1111 4.346971 345.0482       16.27489  324.0269       
23.09051  365.8010       22.94254  178.2974 6.368498 189.4716 5.954509 
-11.17419      8.718597 
1 1 1 12  11 1  o 207.7725 4.482486 439.5603       18.93906  452.8374       
38.71268  435.3828       21.71512  210.4254 9.046980 206.7343 5.165331 
3.691055       10.41770 
1 1 1 12  11 2  o 163.8080 4.964305 273.3906       16.53655  276.0701       
32.92374  272.4866       19.12377  163.8116 9.930447 163.4794 5.752531 
0.3322296      11.47630 
1 1 1 12  11 3  o 195.5868 5.070262 389.9277       20.16607  381.9911       
35.47467  393.7170       24.51182  193.0632 9.035815 196.4211 6.136718 
-3.357819      10.92270 
1 1 1 12  11 4  f 47.32809 13.28106 23.87844       13.30332  20.61009       
21.19200  26.00405       17.09030  47.74298 17.14722 49.86012 15.34956 
-2.117142      23.01383 
1 1 1 12  11 5  o 39.12213 14.96556 11.28881       16.61897  8.234676       
20.16926  17.74719       29.32974  39.99318 16.11826 50.41152 19.71895 
-10.41833      25.46832 
1 1 1 12  11 6  o 104.7654 7.244338 112.9571       15.33885  88.37390       
23.94200  130.0724       19.97717  91.20492 13.30030 112.1469 8.831282 
-20.94194      15.96526 
1 1 1 12  11 7  o 111.8559 6.854204 128.6484       15.51558  101.1872       
23.13693  151.0897       20.91553  97.99282 11.85161 120.8959 8.562981 
-22.90304      14.62140 
1 1 1 12  11 8  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  11 9  o 139.8029 6.320797 200.3195       17.96964  197.2798       
27.73852  202.5177       23.58868  137.5839 9.982292 139.9219 8.327877 
-2.337982      12.99999 
1 1 1 12  11 10 o 83.55367 13.92889 75.72224       22.83327  75.72224       
22.83327  0.000000       0.000000  83.55367 13.92889 ?        ?        
0.000000       13.92889 
1 1 1 12  11 11 o 81.71375 15.38561 74.03561       24.62786  47.06476       
32.70921  109.3400       37.42288  64.59502 21.38405 97.59906 19.53726 
-33.00404      28.96519 
1 1 1 12  11 12 o 94.24734 9.822576 94.16075       18.54886  87.64027       
21.38615  113.9604       37.26670  90.00970 11.98166 98.65723 19.26668 
-8.647537      22.68844 
1 1 1 12  11 13 o 26.47044 12.34374 -12.68358      16.29527  -12.79818      
18.68660  -12.31981      33.29282  28.72929 13.33720 39.55639 18.16056 
-10.82710      22.53190 
1 1 1 12  11 14 o 57.79933 12.49937 38.49249       14.26378  39.07833       
15.78381  35.88280       33.31317  57.64661 13.67148 54.29468 21.07700 
3.351933       25.12269 
1 1 1 12  12 0  o 205.0547 4.922471 428.1958       20.52600  447.4388       
38.62051  420.6204       24.23172  209.2182 9.077518 203.1659 5.865190 
6.052307       10.80749 
1 1 1 12  12 1  o 172.7189 4.757033 303.8383       16.70812  288.9360       
33.44228  308.7954       19.28787  167.6774 9.851028 174.0759 5.448715 
-6.398483      11.25750 
1 1 1 12  12 2  o 88.22382 7.217365 80.02505       12.83504  70.85877       
25.76123  83.05175       14.80320  81.20026 16.16942 89.74586 8.201957 
-8.545593      18.13070 
1 1 1 12  12 3  o 255.7057 4.844855 666.4053       25.19258  712.1456       
45.80480  646.5682       30.16477  263.6738 8.542650 251.7274 5.892753 
11.94640       10.37793 
1 1 1 12  12 4  o 129.3629 5.959138 170.8585       15.67633  176.4563       
25.29972  167.3699       19.97244  130.6984 9.585919 127.6266 7.732012 
3.071854       12.31559 
1 1 1 12  12 5  f 158.1715 6.681201 255.8701       21.48989  224.5064       
25.62287  330.2565       39.46039  147.6416 8.571180 178.5114 10.92291 
-30.86977      13.88435 
1 1 1 12  12 6  o 83.57288 9.343006 72.78626       15.60657  66.67506       
27.68327  75.63339       18.89546  77.72294 17.88652 84.76453 11.23921 
-7.041588      21.12457 
1 1 1 12  12 7  o 175.5144 6.982604 315.7627       24.92193  0.000000       
0.000000  315.7627       24.92193  ?        ?        175.5144 6.982604 
0.000000       6.982604 
1 1 1 12  12 8  f 146.8223 7.096650 221.2553       21.18833  167.9392       
49.49843  233.2164       23.44491  122.4401 20.61220 150.4265 7.690007 
-27.98639      21.99998 
1 1 1 12  12 9  o 124.9852 6.638400 160.7120       16.81177  149.3811       
25.63324  169.2651       22.27067  119.3765 10.67177 127.7734 8.621615 
-8.396942      13.71929 
1 1 1 12  12 10 o 115.5078 10.75847 140.3173       24.97979  140.3173       
24.97979  0.000000       0.000000  115.5078 10.75847 ?        ?        
0.000000       10.75847 
1 1 1 12  12 11 o 135.6806 7.507436 190.6047       20.63330  200.3124       
24.18848  164.6686       39.53687  138.7121 8.617795 122.0618 16.33822 
16.65028       18.47170 
1 1 1 12  12 12 o 40.40203 15.29773 14.27957       17.25377  15.18080       
19.71792  11.33472       35.64319  42.27792 16.27039 48.77213 20.68980 
-6.494209      26.32097 
1 1 1 12  12 13 o 81.13860 11.32609 72.21796       18.17832  67.81452       
20.53198  88.18877       39.10199  77.42440 13.53343 81.67779 22.71632 
-4.253387      26.44210 
1 1 1 12  12 14 o 21.71003 10.44449 -17.63256      13.55711  -15.67369      
14.96695  -26.58537      31.99706  23.79242 11.31705 34.38300 16.40781 
-10.59058      19.93218 
1 1 1 12  13 0  f 74.51529 8.525463 57.46960       12.68608  95.56850       
27.18432  46.86238       14.34376  95.22398 14.49602 66.76385 10.94435 
28.46013       18.16352 
1 1 1 12  13 1  o 171.3363 4.762731 299.0257       16.59422  267.4553       
33.00240  309.7083       19.19756  161.2171 10.11790 174.3236 5.415497 
-13.10652      11.47604 
1 1 1 12  13 2  o 76.21382 8.571442 60.19576       13.05382  60.40972       
23.27880  60.09761       15.76590  74.87771 15.78558 75.79418 10.51197 
-0.9164734     18.96539 
1 1 1 12  13 3  o 120.7997 5.632424 148.8748       13.83607  152.7537       
25.61080  147.2762       16.44198  121.4265 10.47439 119.8709 6.772830 
1.555618       12.47334 
1 1 1 12  13 4  o 224.3447 4.687911 513.1127       21.38684  510.2207       
32.92383  515.2239       28.12989  223.2974 7.250623 224.5883 6.159273 
-1.290955      9.513578 
1 1 1 12  13 5  f 30.76284 12.83009 2.305105       13.34680  19.88545       
20.25141  -11.19465      17.74616  46.67026 16.76233 29.25798 13.36777 
17.41228       21.43999 
1 1 1 12  13 6  o 169.8061 5.724710 294.6442       19.76780  342.7159       
36.21463  274.2423       23.59257  182.0027 9.821217 163.6040 7.091368 
18.39876       12.11378 
1 1 1 12  13 7  o 367.0475 6.500444 1379.822       48.51954  0.000000       
0.000000  1379.822       48.51954  ?        ?        367.0475 6.500444 
0.000000       6.500444 
1 1 1 12  13 8  o 326.8535 5.609465 1092.863       37.28430  1020.304       
73.57856  1117.931       43.24792  312.7503 11.56917 330.2632 6.439522 
-17.51288      13.24058 
1 1 1 12  13 9  o 82.98006 9.574530 72.25179       15.85983  93.03725       
24.57647  57.41852       20.76146  93.07921 13.36787 72.36742 14.61131 
20.71179       19.80379 
1 1 1 12  13 10 o 149.4291 7.304095 229.8787       22.19489  257.9005       
26.89939  170.1121       39.28472  157.7431 8.416130 124.9177 15.81945 
32.82543       17.91888 
1 1 1 12  13 11 o 183.3996 7.897799 348.0740       29.45479  290.5014       
37.36914  442.5193       47.86248  165.7833 11.14944 204.4736 11.55816 
-38.69032      16.05930 
1 1 1 12  13 12 o 39.40631 15.83370 10.49223       19.39938  22.26540       
22.80914  -20.29320      36.88372  47.59625 17.67783 40.45425 18.76525 
7.142002       25.78062 
1 1 1 12  13 13 o 62.21217 13.83503 44.60596       17.05013  61.97605       
19.58818  -9.696686      34.63408  73.77724 13.55585 40.61543 18.60101 
33.16181       23.01648 
1 1 1 12  13 14 o 38.80237 15.35911 13.60678       17.98424  7.469242       
21.31024  28.79562       33.52383  37.50527 15.95704 50.74773 20.66183 
-13.24246      26.10629 
1 1 1 12  14 0  o 256.2601 4.272157 668.6085       22.26279  621.6966       
44.31812  684.4420       25.74716  246.5597 8.839095 259.2228 4.884326 
-12.66309      10.09882 
1 1 1 12  14 1  o 173.1370 4.634285 305.3496       16.31639  299.2386       
33.39432  307.2659       18.70054  170.6065 9.665272 173.6308 5.296341 
-3.024368      11.02128 
1 1 1 12  14 2  o 206.3223 4.342777 433.6269       18.22070  446.1432       
37.71070  429.8150       20.81114  208.6657 8.887143 205.3534 4.983594 
3.312302       10.18909 
1 1 1 12  14 3  o 140.5000 5.097975 201.2975       14.56550  210.3981       
27.48118  197.7422       17.17656  142.8189 9.516830 139.1693 6.069337 
3.649567       11.28747 
1 1 1 12  14 4  o 159.3280 5.938628 259.2675       19.24109  307.7977       
27.92344  215.3925       26.55045  173.2989 7.923586 144.5156 9.080699 
28.78329       12.05165 
1 1 1 12  14 5  f 33.44116 12.99272 7.505009       12.66725  -5.820148      
19.57104  17.11177       16.61752  33.04432 14.65034 42.94678 15.20958 
-9.902462      21.11786 
1 1 1 12  14 6  o 50.11098 13.88553 27.12099       14.63829  13.04756       
25.79848  33.80340       17.77708  45.94013 18.32878 55.72639 15.24579 
-9.786259      23.84069 
1 1 1 12  14 7  o 83.10617 8.859483 71.98242       14.74164  61.91245       
22.77820  79.23995       19.33747  75.20277 15.41263 86.63010 11.24193 
-11.42733      19.07696 
1 1 1 12  14 8  o 40.37727 14.23069 15.45072       14.53045  22.08365       
24.12655  11.67552       18.20174  49.33950 18.20971 40.12508 15.57874 
9.214417       23.96436 
1 1 1 12  14 9  o 49.47535 16.12533 25.76263       18.62655  36.76434       
22.92966  4.417116       31.93896  57.85166 17.77449 45.71970 19.49557 
12.13196       26.38199 
1 1 1 12  14 10 o 156.2308 7.016689 251.1558       22.29207  244.2567       
26.73312  266.9025       40.38756  153.3844 8.605471 158.5156 12.63414 
-5.131210      15.28646 
1 1 1 12  14 11 o 33.59957 14.37709 1.219551       17.47867  11.60892       
20.48945  -26.54613      33.49576  41.05774 16.34896 37.38703 17.51985 
3.670715       23.96318 
1 1 1 12  14 12 o 71.28844 14.49336 57.54880       20.29481  49.15725       
24.08231  78.11246       37.69876  64.47556 17.78831 78.64690 22.45844 
-14.17135      28.64970 
1 1 1 12  14 13 o 25.34763 11.76988 -10.28747      14.56511  -1.680303      
16.26055  -45.22512      32.76062  30.42780 13.42872 32.06261 15.61549 
-1.634802      20.59549 
1 1 1 12  14 14 o 43.83773 16.08708 21.77008       18.78961  1.425446       
22.31588  71.32319       34.82768  35.52420 15.70203 70.21270 21.96131 
-34.68850      26.99728 
1 1 1 12  15 0  f 102.6817 6.294638 107.9432       13.08020  125.3301       
27.45722  102.8391       14.87676  109.6508 12.53930 100.0863 7.361070 
9.564537       14.54027 
1 1 1 12  15 1  o 183.8934 4.466980 344.4620       16.70442  353.5016       
34.46116  341.6857       19.09813  185.7577 9.122876 183.0979 5.129275 
2.659714       10.46596 
1 1 1 12  15 2  o 147.5972 4.899911 222.0551       14.70678  211.5914       
29.83175  225.4146       16.90368  143.1075 10.32022 148.6535 5.591837 
-5.545975      11.73778 
1 1 1 12  15 3  o 316.5487 4.279989 1021.039       27.55083  1012.853       
54.55046  1023.842       31.92120  314.2677 8.535860 316.8667 4.953946 
-2.598999      9.869270 
1 1 1 12  15 4  o 314.1637 5.243333 1007.205       33.49769  1041.991       
44.49638  961.7034       50.89067  319.1304 6.856543 306.1890 8.173295 
12.94141       10.66841 
1 1 1 12  15 5  o 148.3765 5.425524 224.8217       16.37036  241.7894       
25.94833  213.6032       21.09914  153.1972 8.360880 144.3914 7.185750 
8.805832       11.02449 
1 1 1 12  15 6  o 269.3278 4.686506 740.2214       25.66740  776.9169       
39.88716  714.2868       33.53261  275.2689 7.125650 264.1973 6.241480 
11.07162       9.472643 
1 1 1 12  15 7  o 129.5270 6.153677 171.7922       16.20863  163.8210       
25.41462  177.2574       21.04393  125.3748 10.05286 131.0355 7.934852 
-5.660637      12.80711 
1 1 1 12  15 8  o 126.9543 6.461020 165.7085       16.62505  197.2562       
26.96223  146.3563       21.11727  137.6310 9.695559 118.7151 8.810266 
18.91589       13.10056 
1 1 1 12  15 9  o 39.84781 15.61200 11.16584       18.40743  10.28881       
23.01572  12.72260       30.66382  42.44224 17.17845 48.05719 19.68560 
-5.614948      26.12703 
1 1 1 12  15 10 o 156.0519 6.932413 250.6393       21.99910  255.7751       
26.49805  239.2478       39.46436  157.0137 8.328771 149.6600 13.09915 
7.353653       15.52276 
1 1 1 12  15 11 o 76.63390 12.07826 63.74822       18.19922  68.44083       
21.47482  51.78844       34.28340  78.69666 13.92875 66.41231 21.88811 
12.28436       25.94416 
1 1 1 12  15 12 o 55.02390 16.10650 35.06897       19.17263  26.60726       
22.94706  54.63422       34.89319  49.81241 17.84814 66.33663 22.09246 
-16.52422      28.40129 
1 1 1 12  15 13 o 41.61951 14.29269 19.01724       14.60830  24.72064       
16.26009  -4.853457      33.26507  46.28530 15.06526 40.67563 18.47464 
5.609669       23.83850 
1 1 1 12  15 14 f 30.17862 13.65309 -4.261991      17.95329  10.63078       
21.85583  -35.16020      31.48083  38.84175 16.32373 32.02243 15.52951 
6.819317       22.53065 
1 1 1 12  16 0  o 105.6261 6.015771 114.1584       12.86806  124.5216       
25.14571  110.4817       14.97783  109.4711 11.46583 103.7701 7.141302 
5.700996       13.50790 
1 1 1 12  16 1  o 171.8943 4.608014 301.0520       16.10744  299.6547       
32.99973  301.4890       18.45527  170.6563 9.547325 171.9637 5.277546 
-1.307419      10.90889 
1 1 1 12  16 2  o 312.3221 4.252220 993.7885       27.00660  1033.620       
55.67733  981.5337       30.88292  317.5359 8.622519 310.2900 4.894396 
7.245880       9.914783 
1 1 1 12  16 3  o 37.98982 12.33036 14.51285       10.89520  -13.60290      
20.65047  25.35813       12.82554  31.34757 14.35896 48.57405 12.80325 
-17.22648      19.23806 
1 1 1 12  16 4  o 188.2141 5.577279 361.7451       21.34646  389.3086       
29.56558  331.7301       30.85243  194.9219 7.458893 179.7372 8.441120 
15.18469       11.26444 
1 1 1 12  16 5  o 120.5237 6.444686 149.0600       15.73799  161.5295       
26.84330  142.5286       19.42721  124.5078 10.70614 117.5141 8.180613 
6.993645       13.47382 
1 1 1 12  16 6  o 56.57690 14.92842 35.00791       17.42471  48.80633       
22.22207  12.98113       28.07665  66.46821 16.51401 47.15496 19.01276 
19.31325       25.18328 
1 1 1 12  16 7  o 178.8133 6.157812 327.5030       22.39121  252.5900       
52.62244  344.0652       24.74290  152.4448 17.28014 183.1691 6.642737 
-30.72427      18.51295 
1 1 1 12  16 8  o 70.17148 10.73498 52.38504       14.83133  51.44685       
23.97482  52.96667       18.87684  67.72193 17.33553 69.66138 13.81350 
-1.939445      22.16604 
1 1 1 12  16 9  o 101.4767 9.834223 107.9793       20.03886  100.4070       
24.62840  122.8120       34.46911  96.79877 12.82763 105.5455 16.60854 
-8.746712      20.98552 
1 1 1 12  16 10 f 141.3098 7.328842 206.4781       20.98772  201.6371       
24.86964  218.4568       39.12075  139.1136 8.837055 142.5048 13.66742 
-3.391235      16.27550 
1 1 1 12  16 11 o 97.14119 9.745458 99.88777       18.99162  85.01072       
21.70312  148.5165       39.23830  88.46006 12.40605 114.2648 17.43933 
-25.80476      21.40187 
1 1 1 12  16 12 o 77.75473 12.73553 67.23016       19.43966  88.98957       
23.80514  23.67317       33.68032  89.21410 13.54749 51.52047 20.80594 
37.69363       24.82784 
1 1 1 12  16 13 o 35.64890 13.72091 11.36452       14.02401  12.81489       
15.55198  5.052507       32.44365  37.44624 14.43883 42.83266 18.93258 
-5.386425      23.81014 
1 1 1 12  16 14 o 23.52784 11.09208 -11.90905      13.78452  -15.66304      
15.29347  4.347845       31.82570  23.89897 11.38780 40.92487 18.37623 
-17.02590      21.61870 
1 1 1 12  17 0  o 181.3538 4.486248 335.0294       16.54479  380.5158       
35.35029  322.2711       18.72185  192.7287 9.019766 177.8123 5.177685 
14.91641       10.40022 
1 1 1 12  17 1  o 232.2566 4.187245 549.4791       19.77643  579.7368       
40.34175  539.9073       22.68987  237.9227 8.338109 230.1533 4.848008 
7.769348       9.645063 
1 1 1 12  17 2  o 268.0526 4.198444 732.0826       22.88547  762.8113       
47.04925  722.5589       26.19290  272.7528 8.482660 266.2130 4.838413 
6.539795       9.765540 
1 1 1 12  17 3  o 274.0128 4.199905 765.1950       23.40248  757.4048       
46.85897  767.7838       27.01248  271.6456 8.482787 274.3713 4.841438 
-2.725647      9.767149 
1 1 1 12  17 4  o 46.55635 14.12839 22.87502       14.54605  32.18302       
21.63614  15.19787       19.64951  55.14790 17.31939 43.41102 16.35151 
11.73688       23.81876 
1 1 1 12  17 5  o 102.7795 7.307178 108.8690       15.17290  100.4561       
25.80053  113.3168       18.75978  97.15659 13.41686 104.5329 8.910236 
-7.376305      16.10604 
1 1 1 12  17 6  o 148.0691 6.969012 224.8877       20.98394  226.3631       
26.54716  222.4308       34.25728  147.9009 8.867573 145.6856 11.66112 
2.215378       14.64977 
1 1 1 12  17 7  f 152.5440 6.642233 238.7197       20.60443  85.47005       
50.99268  268.6230       22.52516  84.92438 26.57532 161.7714 6.847227 
-76.84700      27.44325 
1 1 1 12  17 8  o 78.08723 9.641402 64.16974       14.98479  61.48343       
24.28111  65.82220       19.04390  74.23920 16.51049 78.28150 12.37446 
-4.042305      20.63307 
1 1 1 12  17 9  o 81.42382 11.76508 70.93716       18.91544  63.49857       
23.27599  85.40347       32.45950  75.59985 15.65560 86.53966 18.96823 
-10.93981      24.59455 
1 1 1 12  17 10 o 46.75730 16.01765 22.57054       18.34339  34.61996       
22.27543  -2.814651      32.33205  55.80267 17.58112 43.00679 18.96026 
12.79589       25.85706 
1 1 1 12  17 11 o 71.54699 16.94424 59.33686       24.27249  59.33686       
24.27249  0.000000       0.000000  71.54699 16.94424 ?        ?        
0.000000       16.94424 
1 1 1 12  17 12 f 66.63138 15.65524 52.08708       20.85259  81.33023       
27.11264  9.738392       32.62719  83.06976 16.63026 45.60638 19.58221 
37.46338       25.69102 
1 1 1 12  17 13 o 63.68479 11.70352 45.99959       14.59813  36.86201       
16.13499  87.22692       34.27251  55.60728 14.21444 80.40623 20.80254 
-24.79895      25.19516 
1 1 1 12  18 0  o 272.7393 4.140133 757.6359       22.96220  721.7644       
46.44791  769.2384       26.41596  265.4517 8.604573 274.7483 4.728028 
-9.296600      9.817990 
1 1 1 12  18 1  f 151.5006 4.745170 233.9611       14.61899  212.5376       
30.37106  240.4216       16.67825  143.3291 10.49309 153.5265 5.342145 
-10.19737      11.77469 
1 1 1 12  18 2  o 122.5196 5.349485 153.1744       13.32812  164.7718       
26.64783  149.3054       15.39161  126.0167 10.49419 120.7182 6.291670 
5.298492       12.23573 
1 1 1 12  18 3  o 152.1463 5.405257 236.3246       16.72357  230.0014       
29.04557  239.4603       20.45418  149.1433 9.628314 153.0038 6.573982 
-3.860413      11.65854 
1 1 1 12  18 4  o 62.75802 10.44631 41.75042       12.86300  59.30259       
21.35522  31.75649       16.11413  73.94873 14.71866 54.07807 14.39770 
19.87066       20.58963 
1 1 1 12  18 5  o 147.9747 5.864685 223.9435       17.64752  225.1475       
32.18324  223.4259       21.10311  146.9628 10.84552 147.6155 7.030123 
-0.6527863     12.92471 
1 1 1 12  18 6  o 81.56621 10.83755 70.28312       17.53096  70.76054       
22.24407  69.50041       28.48138  80.87817 14.03370 78.80582 18.14743 
2.072342       22.94066 
1 1 1 12  18 7  o 72.19605 11.83428 55.85779       16.77212  113.7781       
51.44936  48.97062       17.74128  97.40488 25.62836 67.02625 13.48344 
30.37864       28.95886 
1 1 1 12  18 8  o 104.5276 7.501555 113.0897       15.83930  111.5945       
25.55843  114.0221       20.18218  102.2394 12.55715 104.3747 9.616874 
-2.135269      15.81665 
1 1 1 12  18 9  o 63.59985 14.90835 45.02645       18.94573  64.50119       
23.06191  4.599521       33.22729  76.20501 15.41154 46.21963 19.80115 
29.98538       25.09186 
1 1 1 12  18 10 o 82.18874 11.67146 72.71099       18.95892  61.28616       
22.70243  99.04179       34.46510  73.79621 15.61534 92.54041 18.95218 
-18.74419      24.55655 
1 1 1 12  18 11 o 27.83502 13.21902 -21.75694      20.26412  -21.75694      
20.26412  0.000000       0.000000  27.83502 13.21902 ?        ?        
0.000000       13.21902 
1 1 1 12  18 12 o 49.04964 15.30145 27.85689       16.91979  20.50727       
19.75936  48.05839       32.75911  44.53281 16.47071 61.60740 21.38916 
-17.07459      26.99593 
1 1 1 12  18 13 o 35.78441 13.74080 11.96453       14.04320  -0.6308212     
15.54482  67.87134       32.75013  29.83501 13.15037 69.58973 21.21769 
-39.75471      24.96243 
1 1 1 12  19 0  o 79.06361 7.073442 64.40424       11.25243  48.94012       
22.00337  69.88076       13.09419  67.12212 16.28607 82.25082 7.926784 
-15.12870      18.11270 
1 1 1 12  19 1  o 86.83056 6.723223 77.53017       11.77885  79.91911       
24.24739  76.79231       13.47568  86.54771 14.27485 86.25186 7.766285 
0.2958527      16.25074 
1 1 1 12  19 2  o 36.76582 12.04676 13.49593       10.39062  12.45902       
21.87934  13.79789       11.80702  43.35598 17.01082 37.78913 12.85123 
5.566849       21.31953 
1 1 1 12  19 3  o 38.46438 12.33313 15.06832       10.92487  43.83985       
21.04449  4.453862       12.78220  63.26091 16.26754 31.47879 12.78058 
31.78212       20.68758 
1 1 1 12  19 4  o 245.7296 4.570710 616.0347       22.83981  637.3051       
36.40689  602.2305       29.32924  249.3186 7.180878 242.6779 5.943182 
6.640610       9.321289 
1 1 1 12  19 5  o 231.1940 6.122202 547.1355       28.78297  0.000000       
0.000000  547.1355       28.78297  ?        ?        231.1940 6.122202 
0.000000       6.122202 
1 1 1 12  19 6  o 110.2682 7.115507 125.3911       15.87025  94.70847       
24.35178  148.0439       20.92404  94.10369 13.07906 119.4650 8.672083 
-25.36134      15.69289 
1 1 1 12  19 7  o 148.8261 5.789138 226.8820       17.52042  252.2141       
29.15418  212.5615       21.92023  155.7673 9.245326 143.4944 7.538462 
12.27284       11.92914 
1 1 1 12  19 8  o 79.69563 9.670479 66.92015       15.35134  31.35196       
25.48647  87.17187       19.23135  54.77214 18.87461 90.80883 10.61459 
-36.03669      21.65457 
1 1 1 12  19 9  o 180.9998 6.382087 336.7169       23.49050  297.3001       
27.81034  434.8630       43.88359  169.5331 8.066786 203.5069 10.64101 
-33.97383      13.35306 
1 1 1 12  19 10 o 59.95428 14.84472 40.55433       18.00281  27.35847       
21.11905  75.63508       34.43419  50.52925 17.18744 79.34930 21.00914 
-28.82004      27.14392 
1 1 1 12  19 11 o 36.39162 15.42776 4.211348       19.79784  4.211348       
19.79784  0.000000       0.000000  36.39162 15.42776 ?        ?        
0.000000       15.42776 
1 1 1 12  19 12 o 108.8583 17.23117 142.1928       36.87411  0.000000       
0.000000  142.1928       36.87411  ?        ?        108.8583 17.23117 
0.000000       17.23117 
1 1 1 12  19 13 o 80.52772 12.23505 74.41824       19.40518  47.95948       
23.01238  139.5344       36.10115  60.67845 17.61268 105.1201 17.50375 
-44.44163      24.83118 
1 1 1 12  20 0  o 137.9727 4.857426 194.0905       13.62858  216.1611       
28.64679  187.6339       15.49437  144.6768 9.794714 135.5952 5.619246 
9.081589       11.29214 
1 1 1 12  20 1  f 289.8579 4.154252 856.1654       24.48665  835.1948       
49.54778  862.9424       28.16673  285.2652 8.541302 290.9015 4.761449 
-5.636292      9.778815 
1 1 1 12  20 2  o 112.4179 5.537776 129.0579       12.65967  134.0068       
26.22956  127.5549       14.45475  113.1769 11.55900 111.4995 6.401929 
1.677414       13.21345 
1 1 1 12  20 3  o 69.37021 8.244390 50.12005       11.40236  68.84624       
22.53218  43.67377       13.22005  79.89204 14.39875 64.20134 10.48821 
15.69070       17.81366 
1 1 1 12  20 4  o 114.0384 6.589509 133.6474       15.21602  174.8488       
28.14048  116.6239       18.08836  129.4271 10.79024 106.1259 8.451648 
23.30127       13.70619 
1 1 1 12  20 5  o 82.76334 9.540627 71.73646       15.76305  30.18964       
22.85233  109.4464       21.77155  53.78338 17.87725 102.1396 10.63809 
-48.35625      20.80301 
1 1 1 12  20 6  o 111.9810 8.063214 129.8963       18.23844  170.2652       
54.83029  124.8739       19.33973  121.2920 23.07298 109.6034 8.750039 
11.68858       24.67642 
1 1 1 12  20 7  o 86.50619 8.591860 78.11050       14.91427  73.62868       
23.85446  80.98676       19.10985  81.92990 14.86524 87.40170 10.99527 
-5.471794      18.48976 
1 1 1 12  20 8  o 33.12923 15.28336 -15.96481      23.97665  -15.96481      
23.97665  0.000000       0.000000  33.12923 15.28336 ?        ?        
0.000000       15.28336 
1 1 1 12  20 9  o 153.9270 6.965076 244.2067       21.80180  230.1095       
25.98771  277.7028       40.05887  148.6465 8.634502 161.4482 12.29393 
-12.80165      15.02316 
1 1 1 12  20 10 o 62.28476 14.14550 43.62387       17.50800  25.28838       
20.44752  93.99887       33.89235  48.84381 16.90185 89.32534 19.22769 
-40.48153      25.60033 
1 1 1 12  20 11 o 125.7540 8.233090 166.2895       20.93785  166.2895       
20.93785  0.000000       0.000000  125.7540 8.233090 ?        ?        
0.000000       8.233090 
1 1 1 12  20 12 o 29.58923 12.89423 0.1552704      14.56927  -5.385112      
16.19556  23.66032       33.35852  28.66611 12.96829 49.65632 20.45864 
-20.99021      24.22256 
1 1 1 12  20 13 o 58.17385 15.66245 42.68610       18.93991  46.53435       
23.31062  35.21066       32.48928  59.14325 17.87131 52.02510 20.62773 
7.118153       27.29262 
1 1 1 12  21 0  o 161.1979 4.492604 264.8785       14.72682  227.5926       
30.13703  276.5750       16.87940  148.3413 10.04979 164.6644 5.040876 
-16.32307      11.24316 
1 1 1 12  21 1  o 168.7215 5.032964 290.4591       17.26815  253.5670       
30.94593  307.1406       20.80916  156.5952 9.766610 173.3851 5.901893 
-16.78989      11.41135 
1 1 1 12  21 2  o 288.7810 4.164373 850.1581       24.45512  858.4770       
50.28683  847.5813       27.98757  288.9714 8.557523 288.2240 4.775113 
0.7473450      9.799638 
1 1 1 12  21 3  o 53.04634 10.69102 30.15054       11.13416  34.44654       
21.50007  28.57620       13.01539  56.51680 17.18244 51.35132 12.56629 
5.165478       21.28727 
1 1 1 12  21 4  o 221.6490 4.819228 501.6323       21.72174  515.9312       
38.82797  495.1186       26.20633  223.7824 8.532324 219.9841 5.858190 
3.798264       10.34983 
1 1 1 12  21 5  o 151.8303 6.320682 236.2806       19.51524  225.1424       
27.40858  247.7334       27.79286  147.2800 9.197499 154.6241 8.876222 
-7.344116      12.78207 
1 1 1 12  21 6  o 58.80075 13.98794 38.07183       16.48258  30.78312       
54.24609  38.81320       17.30054  64.30133 26.24325 59.28160 14.47646 
5.019730       29.97126 
1 1 1 12  21 7  o 99.95389 7.900091 103.7345       15.92682  163.8748       
27.69684  74.02299       19.46748  124.6765 11.03842 83.17366 11.84454 
41.50279       16.19073 
1 1 1 12  21 8  o 116.8922 9.161952 142.7944       21.60398  113.0185       
27.28045  192.8766       35.38024  102.2872 13.44072 134.1740 13.13552 
-31.88678      18.79347 
1 1 1 12  21 9  o 205.8936 5.844854 435.4609       24.47191  408.9259       
28.80445  504.3066       46.39690  199.0338 7.116745 219.1630 10.41047 
-20.12923      12.61055 
1 1 1 12  21 10 o 65.62976 13.33987 48.10078       17.19664  51.33323       
20.32750  39.96419       32.25075  67.05430 15.25173 59.38262 21.17171 
7.671680       26.09323 
1 1 1 12  21 11 o 74.47587 12.47227 61.89700       18.22124  61.89700       
18.22124  0.000000       0.000000  74.47587 12.47227 ?        ?        
0.000000       12.47227 
1 1 1 12  21 12 o 127.0120 8.568807 172.6558       22.00239  115.7075       
26.08595  313.0478       40.95788  100.5968 13.05991 167.1961 12.12899 
-66.59930      17.82341 
1 1 1 12  21 13 o 34.78441 14.76560 7.075497       18.17252  4.280862       
21.85701  13.33295       32.70598  35.71954 15.67308 43.49768 19.12700 
-7.778133      24.72828 
1 1 1 12  22 0  o 128.5021 4.898493 168.4471       12.80042  172.7842       
25.60313  167.0017       14.78021  129.1517 9.822202 127.8772 5.683761 
1.274429       11.34816 
1 1 1 12  22 1  o 264.5072 4.081920 713.1354       21.95601  697.5370       
44.98034  718.0145       25.15658  260.5287 8.490156 265.3105 4.662789 
-4.781708      9.686297 
1 1 1 12  22 2  o 107.3637 6.463106 118.4116       14.04499  93.88257       
26.08973  128.4210       16.66603  93.64683 14.14060 111.6565 7.381664 
-18.00964      15.95135 
1 1 1 12  22 3  f 175.4917 5.010867 314.5225       17.88220  360.0398       
33.12368  295.7997       21.24398  186.9299 8.713816 169.9997 6.145203 
16.93022       10.66274 
1 1 1 12  22 4  o 206.2404 5.939464 435.4386       24.90993  0.000000       
0.000000  435.4386       24.90993  ?        ?        206.2404 5.939464 
0.000000       5.939464 
1 1 1 12  22 5  o 125.2101 6.998360 161.5658       17.74784  182.3864       
25.19566  141.0608       25.00390  132.3616 9.422305 115.9040 10.73034 
16.45758       14.28006 
1 1 1 12  22 6  o 111.9297 7.022511 129.3520       15.90316  133.5608       
28.47056  127.4432       19.17316  111.8521 12.74456 110.6826 8.585680 
1.169426       15.36678 
1 1 1 12  22 7  f 97.69975 10.58974 100.8797       20.70246  100.0961       
26.92611  102.0128       32.37719  95.89960 14.23959 95.41069 17.32561 
0.4889145      22.42638 
1 1 1 12  22 8  o 46.50828 16.32737 21.74883       19.11408  23.14943       
23.70940  19.14852       32.30540  49.15466 18.06591 50.97712 20.45042 
-1.822468      27.28730 
1 1 1 12  22 9  o 93.59381 10.54590 93.29034       19.72180  117.7138       
24.11672  43.98527       34.26580  104.8346 11.50151 62.33553 21.86227 
42.49909       24.70311 
1 1 1 12  22 10 f 31.25124 13.75905 -2.206244      16.97053  3.926990       
20.59099  -15.19518      29.96533  36.87360 15.68680 37.09973 17.10479 
-0.2261314     23.20883 
1 1 1 12  22 11 o 45.47015 14.57570 23.50120       15.25985  14.69806       
17.02284  59.51909       34.43280  39.73986 15.15950 67.17296 21.92596 
-27.43310      26.65630 
1 1 1 12  22 12 o 23.42660 11.11811 -14.27207      14.28881  -5.387792      
15.97906  -49.72761      31.92141  28.18737 12.80323 30.14313 14.83135 
-1.955757      19.59315 
1 1 1 12  22 13 o 92.45098 10.68361 96.92716       19.71551  49.81049       
22.83573  234.8685       39.07281  60.49327 17.54092 139.5788 13.95281 
-79.08556      22.41349 
1 1 1 12  23 0  o 106.8102 5.382744 116.7852       11.65387  103.4423       
23.33302  121.2200       13.45187  99.19553 11.79861 108.7200 6.109216 
-9.524475      13.28645 
1 1 1 12  23 1  o 122.1989 4.926432 152.4176       12.24197  137.5332       
24.08575  157.6021       14.21501  114.8644 10.42509 124.1867 5.628864 
-9.322266      11.84764 
1 1 1 12  23 2  o 210.0336 4.212780 449.9109       17.99322  423.6175       
37.49431  457.7779       20.50912  202.6738 9.097381 211.7720 4.762412 
-9.098267      10.26854 
1 1 1 12  23 3  f 44.50758 12.71065 21.28378       12.07494  -1.102843      
22.85733  29.94974       14.22131  37.54572 16.25634 52.41502 13.31592 
-14.86930      21.01387 
1 1 1 12  23 4  o 61.74200 10.47691 40.65936       12.68401  10.42807       
21.79381  56.14470       15.59787  41.81744 16.78951 72.68285 10.88836 
-30.86540      20.01110 
1 1 1 12  23 5  o 98.56276 10.63395 102.3962       20.97607  -22.29916      
53.57787  124.9690       22.79573  50.54952 23.14503 109.0667 10.40420 
-58.51718      25.37597 
1 1 1 12  23 6  o 52.17394 12.81729 29.89987       13.50078  9.411154       
23.17784  40.42133       16.60938  41.97912 17.14597 60.51631 13.80247 
-18.53719      22.01119 
1 1 1 12  23 7  o 78.03330 12.86412 66.09995       19.70177  69.79653       
25.86963  60.99510       30.40059  78.71627 16.67961 72.42298 19.98813 
6.293289       26.03334 
1 1 1 12  23 8  f 184.8098 6.890420 352.1341       25.89537  312.0796       
32.81655  418.2322       42.15622  172.7350 9.377598 199.3929 10.43308 
-26.65791      14.02813 
1 1 1 12  23 9  f 101.0180 9.190304 107.6132       18.67256  118.8918       
23.06425  86.15891       31.81031  105.4707 10.91143 85.61488 18.78708 
19.85585       21.72588 
1 1 1 12  23 10 o 35.70827 14.57177 7.547971       16.72204  -4.590461      
20.20211  33.96250       29.80141  32.95528 14.73015 55.12951 20.25547 
-22.17423      25.04519 
1 1 1 12  23 11 o 81.31152 10.84426 72.82841       17.48399  52.65622       
20.17771  133.6115       35.02568  66.50537 15.24556 105.4509 16.90480 
-38.94554      22.76399 
1 1 1 12  23 12 o 74.83842 10.31280 62.54330       15.27781  51.10683       
17.02331  109.8886       34.63671  65.71941 13.19633 90.59180 19.38731 
-24.87240      23.45231 
1 1 1 12  24 0  o 95.97004 5.855471 94.50290       11.37277  76.24672       
23.92720  99.83099       12.92624  84.11622 14.51251 98.54917 6.486375 
-14.43295      15.89610 
1 1 1 12  24 1  o 211.1197 4.691441 454.8936       20.14125  402.1360       
34.47543  482.2313       24.81687  197.6338 8.578219 217.1942 5.618850 
-19.56039      10.25462 
1 1 1 12  24 2  o 121.9554 5.147556 151.9649       12.76596  166.5265       
28.24085  148.2253       14.31165  126.0864 11.12852 120.3604 5.847288 
5.725990       12.57119 
1 1 1 12  24 3  f 133.7267 5.581133 182.9663       15.17721  203.8983       
29.00764  175.0761       17.80942  139.7797 10.27716 130.4572 6.736197 
9.322525       12.28806 
1 1 1 12  24 4  o 62.32879 10.21525 41.38662       12.49893  27.94769       
21.89130  47.88643       15.22436  51.84555 17.49953 66.74992 11.63919 
-14.90437      21.01676 
1 1 1 12  24 5  o 249.6832 14.69313 668.9838       74.27396  668.9838       
74.27396  0.000000       0.000000  249.6832 14.69313 ?        ?        
0.000000       14.69313 
1 1 1 12  24 6  o 173.5954 5.392968 308.7431       19.03783  302.2459       
32.84782  312.0294       23.36166  170.1500 9.531784 174.1906 6.595196 
-4.040543      11.59101 
1 1 1 12  24 7  o 30.97482 13.92769 -6.993263      18.35267  6.126393       
23.98872  -25.51075      28.49947  40.84290 17.12993 34.12571 16.04543 
6.717190       23.47106 
1 1 1 12  24 8  o 114.6668 9.143982 138.0170       21.14455  155.4420       
28.21144  115.6813       31.94034  120.5971 11.64870 101.7168 15.96759 
18.88030       19.76502 
1 1 1 12  24 9  o 100.1578 9.086354 105.9791       18.30513  89.40900       
21.67912  147.1356       34.16631  90.63577 12.06174 114.7607 14.99929 
-24.12490      19.24745 
1 1 1 12  24 10 o 60.54054 13.43226 41.83404       16.10426  38.06610       
18.56770  53.27508       32.35480  56.90607 15.58634 64.81034 21.25889 
-7.904270      26.36047 
1 1 1 12  24 11 o 41.82730 14.88261 19.22423       15.92858  4.314412       
18.35847  64.62987       32.03725  34.44147 14.73583 68.82469 20.98573 
-34.38322      25.64265 
1 1 1 12  24 12 o 27.79916 12.35116 -1.263174      13.98221  -12.13441      
15.71753  39.97500       30.61219  25.28186 11.89622 53.55183 20.35266 
-28.26998      23.57437 
1 1 1 12  25 0  o 133.3202 10.51870 185.2243       28.28572  185.2243       
28.28572  0.000000       0.000000  133.3202 10.51870 ?        ?        
0.000000       10.51870 
1 1 1 12  25 1  o 155.6171 4.449259 247.1220       14.07980  204.0869       
28.27053  261.3177       16.23677  140.0625 9.991217 159.9494 4.991898 
-19.88684      11.16886 
1 1 1 12  25 2  o 202.6502 9.097568 424.4066       37.49072  424.4066       
37.49072  0.000000       0.000000  202.6502 9.097568 ?        ?        
0.000000       9.097568 
1 1 1 12  25 3  o 81.70207 7.154527 69.12768       11.76703  92.89356       
24.97959  62.34997       13.33982  92.87545 13.63181 77.23050 8.642089 
15.64495       16.14039 
1 1 1 12  25 4  o 97.27210 6.994429 97.80300       13.74305  114.9743       
24.91018  90.28953       16.47768  103.9624 12.00344 92.98750 8.819547 
10.97487       14.89520 
1 1 1 12  25 5  o 53.23567 14.19355 31.36961       15.64608  58.99307       
57.47549  29.15874       16.26016  73.44553 27.89396 51.43143 14.76933 
22.01410       31.56273 
1 1 1 12  25 6  o 159.2851 5.580822 260.1940       18.07693  213.9297       
30.49659  285.2543       22.44510  142.4979 10.60011 166.4874 6.629622 
-23.98955      12.50257 
1 1 1 12  25 7  f 206.2489 6.561406 438.0750       27.51946  461.0563       
36.94707  409.4384       41.24317  210.6188 8.626436 197.3186 10.31439 
13.30025       13.44627 
1 1 1 12  25 8  o 156.6933 11.62750 262.3918       36.78579  0.000000       
0.000000  262.3918       36.78579  ?        ?        156.6933 11.62750 
0.000000       11.62750 
1 1 1 12  25 9  o 73.95290 12.38352 60.43960       17.96461  73.23315       
22.31481  36.87642       30.28410  80.67145 14.11682 56.95292 20.49361 
23.71853       24.88519 
1 1 1 12  25 10 o 34.76382 14.03184 8.240568       15.31060  2.486440       
17.91020  23.85932       29.50760  33.69084 14.48842 49.32353 19.62620 
-15.63269      24.39471 
1 1 1 12  25 11 o 43.80387 16.15687 21.56281       18.98772  -24.89822      
23.29974  113.4260       32.76254  28.67544 13.76881 94.84455 17.63600 
-66.16911      22.37429 
1 1 1 12  25 12 f 27.09846 12.71515 -11.55703      17.74146  -14.53759      
21.99095  -6.000618      30.02567  29.54004 13.95197 36.47590 16.92380 
-6.935854      21.93336 
1 1 1 12  26 0  o 224.3196 4.857369 513.8603       22.15745  511.8983       
40.17627  514.7180       26.56224  222.7656 8.868907 224.2939 5.823658 
-1.528366      10.61002 
1 1 1 12  26 1  o 142.6906 4.599249 207.8854       13.34547  130.8663       
26.07038  235.2343       15.53525  111.3976 11.68242 151.7240 5.035152 
-40.32636      12.72131 
1 1 1 12  26 2  o 67.20335 8.950792 47.48036       11.92800  53.14045       
23.97761  45.61903       13.75010  68.86499 17.17893 65.39840 10.71004 
3.466591       20.24403 
1 1 1 12  26 3  o 97.04110 6.281446 97.01800       12.32909  107.0615       
26.62935  94.27768       13.90974  99.74912 13.47276 95.45414 7.219306 
4.294983       15.28508 
1 1 1 12  26 4  o 59.61160 12.75887 38.92476       14.99954  -26.99061      
59.64344  43.37508       15.49762  52.13509 24.07005 63.06964 12.52518 
-10.93455      27.13388 
1 1 1 12  26 5  o 167.7388 6.409620 289.2953       21.86337  0.000000       
0.000000  289.2953       21.86337  ?        ?        167.7388 6.409620 
0.000000       6.409620 
1 1 1 12  26 6  o 88.44149 9.750464 82.63036       17.24464  126.7823       
25.87099  47.32858       23.13323  108.8861 11.87655 64.32659 17.30576 
44.55948       20.98909 
1 1 1 12  26 7  o 44.59739 16.38161 18.91396       19.49063  32.54402       
26.45366  2.728718       28.82681  54.93598 19.21239 42.38911 18.30481 
12.54688       26.53643 
1 1 1 12  26 8  o 56.55705 15.91768 36.71736       19.08043  42.28142       
25.56868  29.72492       28.66333  60.10603 18.81974 53.46062 19.82471 
6.645405       27.33499 
1 1 1 12  26 9  o 100.4884 9.079302 107.3325       18.35286  76.55183       
21.94340  178.9901       33.48079  82.53840 13.54352 127.2032 13.13229 
-44.66485      18.86489 
1 1 1 12  26 10 o 90.10105 10.87511 89.34422       19.52280  55.14832       
23.73885  160.8019       34.31604  66.66936 17.34455 117.8977 14.62755 
-51.22834      22.68917 
1 1 1 12  26 11 o 64.56699 11.67657 47.98545       14.76691  52.60615       
16.95701  33.48319       30.04093  66.82084 12.94675 51.17294 19.97326 
15.64790       23.80230 
1 1 1 12  26 12 o 46.91380 15.68152 28.73256       17.57736  17.31584       
21.36850  52.62266       30.91094  40.41566 16.48020 57.87345 20.71731 
-17.45779      26.47270 
1 1 1 12  27 0  f 58.21224 8.554373 35.66695       9.824347  31.14875       
23.06726  36.66812       10.85839  54.37556 17.95572 58.84618 9.389537 
-4.470615      20.26256 
1 1 1 12  27 1  o 152.8535 4.936301 238.7944       15.34364  224.2347       
28.59921  244.6790       18.18189  146.7608 9.636342 154.5763 5.784217 
-7.815521      11.23905 
1 1 1 12  27 2  o 105.2870 5.716737 113.8875       12.19393  158.0668       
27.25162  102.8276       13.63508  122.5147 11.05754 99.81921 6.757061 
22.69550       12.95867 
1 1 1 12  27 3  o 59.91437 9.456142 38.15817       11.13899  35.07012       
24.26010  38.98309       12.53883  56.65329 18.40000 60.25633 10.62109 
-3.603043      21.24541 
1 1 1 12  27 4  o 124.5985 6.994976 160.4252       17.65185  8.854107       
60.98886  174.2829       18.44114  59.77905 26.20662 129.8802 7.008152 
-70.10120      27.12749 
1 1 1 12  27 5  o 136.4550 5.902008 191.2341       16.37724  190.4655       
28.90173  191.5977       19.87634  134.2856 10.67184 136.0690 7.209038 
-1.783371      12.87860 
1 1 1 12  27 6  o 58.76885 14.35250 38.72566       17.00439  42.96207       
25.53639  35.35073       22.79253  61.16726 18.75173 56.12242 17.79495 
5.044838       25.85126 
1 1 1 12  27 7  o 54.18200 13.46595 32.88536       14.77222  31.65716       
25.85564  33.48055       17.99915  54.05070 18.98885 54.34593 15.51794 
-0.2952232     24.52311 
1 1 1 12  27 8  o 109.0043 9.550071 126.1654       20.95557  122.1715       
27.80579  131.4161       31.88193  105.2270 13.29083 108.1505 14.89145 
-2.923485      19.96000 
1 1 1 12  27 9  o 54.09145 14.52135 34.10910       16.30857  41.53693       
19.63148  17.56678       29.29679  59.09337 15.96091 46.79157 19.21309 
12.30180       24.97786 
1 1 1 12  27 10 o 36.86576 14.33370 12.32424       15.42564  14.10678       
18.27864  7.913221       28.75368  39.34540 15.51274 41.65105 18.13329 
-2.305649      23.86339 
1 1 1 12  27 11 o 30.33105 12.85547 4.301217       13.74125  -0.1827930     
15.37675  22.08024       30.61858  29.41957 13.01740 45.74041 19.27708 
-16.32084      23.26066 
1 1 1 12  28 0  o 50.54216 9.507162 27.29995       9.412745  22.62163       
23.00469  28.24067       10.31579  49.03450 17.82959 51.26196 10.25405 
-2.227459      20.56793 
1 1 1 12  28 1  o 87.25744 8.909760 79.60366       15.58777  73.15083       
22.80305  85.26394       21.35682  81.91350 14.20432 89.36286 12.06052 
-7.449364      18.63382 
1 1 1 12  28 2  o 38.00628 12.10407 15.03722       10.53645  19.06711       
23.01564  13.96871       11.85125  46.78916 17.67983 37.61459 12.87487 
9.174568       21.87096 
1 1 1 12  28 3  o 152.8422 4.622353 238.8914       14.36673  205.9266       
29.29514  249.3302       16.48525  139.9511 10.36736 156.0283 5.195659 
-16.07727      11.59642 
1 1 1 12  28 4  o 74.00105 10.39875 58.42257       15.21659  46.27809       
60.42245  59.24495       15.72336  69.05745 27.87473 74.43089 10.69548 
-5.373436      29.85622 
1 1 1 12  28 5  o 108.5064 8.377052 122.9675       18.34098  0.000000       
0.000000  122.9675       18.34098  ?        ?        108.5064 8.377052 
0.000000       8.377052 
1 1 1 12  28 6  o 151.3627 6.806146 236.5246       20.94940  271.7627       
31.02685  206.9988       28.40084  160.8280 9.529389 140.0396 10.03970 
20.78838       13.84214 
1 1 1 12  28 7  o 95.94572 8.384892 96.74565       16.19535  117.7868       
29.12733  87.32959       19.48501  102.9932 14.29247 90.14079 10.84765 
12.85245       17.94286 
1 1 1 12  28 8  o 93.69558 10.50189 94.70105       19.66531  57.46028       
25.25565  152.0509       31.34119  69.07374 17.85122 117.0283 13.41172 
-47.95461      22.32802 
1 1 1 12  28 9  o 48.51234 14.86985 27.53567       16.05867  28.98000       
19.00302  23.92771       30.03453  49.62486 16.29300 49.17068 19.72109 
0.4541740      25.58092 
1 1 1 12  28 10 o 42.48158 14.75925 20.86851       15.59946  36.74377       
18.72886  -15.09196      28.18796  54.12757 15.94040 34.16263 16.02897 
19.96494       22.60584 
1 1 1 12  28 11 o 60.70685 11.55363 43.28045       13.74183  34.89718       
15.38223  76.41636       30.58175  52.68004 14.08623 71.81160 20.13119 
-19.13156      24.57004 
1 1 1 12  29 0  o 83.93118 6.377865 72.71321       10.80411  97.50455       
22.74043  65.48575       12.27839  95.67362 11.94893 79.34451 7.707037 
16.32912       14.21883 
1 1 1 12  29 1  o 122.1483 7.000032 154.0508       17.31509  162.8372       
26.13330  147.1753       23.11755  124.4678 10.42079 118.5625 9.672620 
5.905312       14.21803 
1 1 1 12  29 2  o 130.9684 4.991308 175.5757       13.29329  176.5496       
28.98238  175.3163       14.95968  129.1957 11.14041 130.7535 5.626229 
-1.557800      12.48051 
1 1 1 12  29 3  o 93.53497 7.207698 90.80128       13.60386  0.000000       
0.000000  90.80128       13.60386  ?        ?        93.53497 7.207698 
0.000000       7.207698 
1 1 1 12  29 4  f 54.84466 11.87985 33.02988       12.86617  -17.66601      
23.52903  54.65473       15.36718  32.04074 14.90490 71.27950 10.95217 
-39.23877      18.49611 
1 1 1 12  29 5  o 30.02642 12.43283 3.427514       12.40436  -24.99540      
21.20131  18.22108       15.29554  28.02213 13.36784 42.30010 14.61937 
-14.27797      19.80972 
1 1 1 12  29 6  o 139.4575 7.084926 201.7910       20.02625  219.5385       
29.09219  185.8072       27.60878  144.0771 9.991287 132.3118 10.34345 
11.76534       14.38099 
1 1 1 12  29 7  o 46.33631 14.07784 24.02324       14.43607  21.80596       
24.72014  25.17074       17.78350  47.74565 18.25512 47.70037 15.76639 
0.4528046E-01  24.12112 
1 1 1 12  29 8  o 68.06696 14.66686 53.77526       19.70257  76.74023       
27.25144  28.62418       28.51904  79.92716 17.27073 51.53736 19.63078 
28.38980       26.14662 
1 1 1 12  29 9  o 110.8164 7.565732 129.9990       16.94741  109.9063       
19.48079  192.5317       34.36692  100.6199 9.638696 130.0753 13.17426 
-29.45536      16.32377 
1 1 1 12  29 10 o 80.10781 10.23505 71.86079       16.29197  64.07810       
19.28956  91.22858       30.42968  73.26099 13.44327 82.44585 18.59336 
-9.184860      22.94416 
1 1 1 12  29 11 o 23.91389 11.50084 -17.69221      16.40498  -29.13865      
19.75756  7.716602       29.43678  24.17797 11.85026 39.10751 17.60663 
-14.92954      21.22315 
1 1 1 12  30 0  o 104.2229 5.569633 111.6297       11.76159  120.5909       
24.44674  108.9308       13.41637  106.5818 11.45942 102.7647 6.452819 
3.817078       13.15132 
1 1 1 12  30 1  o 118.2075 5.029169 143.0528       12.08907  86.12665       
24.38382  161.6056       13.92033  88.80625 13.96313 125.5639 5.451718 
-36.75764      14.98967 
1 1 1 12  30 2  o 92.84087 6.234769 89.01715       11.70264  98.67018       
25.91761  86.54507       13.11580  95.08535 13.80752 91.32269 7.118837 
3.762665       15.53466 
1 1 1 12  30 3  o 168.4349 5.168440 290.8529       17.70284  0.000000       
0.000000  290.8529       17.70284  ?        ?        168.4349 5.168440 
0.000000       5.168440 
1 1 1 12  30 4  f 65.24689 9.925275 45.58935       12.75387  52.00379       
22.27947  42.46278       15.55464  67.36621 16.41415 61.98258 12.76572 
5.383629       20.79394 
1 1 1 12  30 5  o 91.59406 7.946965 87.79666       14.65529  117.3707       
26.15391  74.26052       17.69412  103.9409 12.63342 83.20731 10.70553 
20.73360       16.55934 
1 1 1 12  30 6  o 133.0408 6.244904 182.7181       16.89515  200.8105       
29.07259  173.4922       20.76066  137.2519 10.49587 128.8055 7.965109 
8.446396       13.17598 
1 1 1 12  30 7  o 24.70800 11.47419 -10.33480      13.84885  -0.3212793     
25.48906  -14.52893      16.49611  38.26653 16.85440 26.08631 12.24679 
12.18023       20.83398 
1 1 1 12  30 8  f 159.8557 11.69381 281.1663       37.74951  0.000000       
0.000000  281.1663       37.74951  ?        ?        159.8557 11.69381 
0.000000       11.69381 
1 1 1 12  30 9  o 24.60482 11.48860 -10.33147      14.18819  -6.168326      
16.57450  -21.74772      27.44681  28.39719 12.95289 32.25586 15.33769 
-3.858671      20.07541 
1 1 1 12  30 10 o 27.10663 12.07367 -1.266937      13.44581  -9.574938      
15.26187  27.54297       28.42042  25.50612 11.91143 46.92313 19.05517 
-21.41701      22.47180 
1 1 1 12  30 11 o 37.49529 14.78453 15.88857       16.60411  14.02570       
19.93691  20.10577       29.99704  37.50859 15.66536 42.43530 18.49677 
-4.926708      24.23910 
1 1 1 12  31 0  o 48.08276 11.95632 25.36677       11.64129  39.18093       
21.58702  19.70201       13.82360  58.91235 17.04654 43.16165 13.87673 
15.75069       21.98063 
1 1 1 12  31 1  o 121.1712 4.979969 150.3825       12.27093  126.8299       
28.74263  155.6322       13.56973  108.1867 13.34778 123.1858 5.417002 
-14.99911      14.40511 
1 1 1 12  31 2  f 103.6963 5.852408 110.8486       12.29055  99.11610       
26.63188  114.0236       13.85410  94.91203 14.23760 105.0041 6.520371 
-10.09208      15.65964 
1 1 1 12  31 3  o 131.3032 5.822560 177.2697       15.54678  0.000000       
0.000000  177.2697       15.54678  ?        ?        131.3032 5.822560 
0.000000       5.822560 
1 1 1 12  31 4  o 69.27975 9.618005 51.23640       13.18457  51.54942       
24.90356  51.11450       15.54131  66.34082 18.00126 68.50341 11.56841 
-2.162590      21.39797 
1 1 1 12  31 5  o 27.24224 12.01022 -2.468204      12.97322  12.81525       
25.00718  -8.096143      15.17500  43.76271 17.83471 27.14336 12.38602 
16.61935       21.71383 
1 1 1 12  31 6  o 27.11510 12.02588 -3.013791      13.19858  18.06635       
24.69948  -11.43897      15.61495  45.71156 18.02952 26.26148 12.19166 
19.45009       21.76465 
1 1 1 12  31 7  o 74.20439 10.18504 59.89385       14.96354  95.76501       
26.90261  43.82517       18.00578  91.04720 15.05663 61.25256 14.65245 
29.79464       21.00944 
1 1 1 12  31 8  o 75.09591 12.88580 64.67042       18.96934  56.92209       
24.79181  75.61292       29.46203  66.96803 17.87220 76.49796 19.02006 
-9.529930      26.09939 
1 1 1 12  31 9  o 83.46142 18.68810 93.33125       30.92839  0.000000       
0.000000  93.33125       30.92839  ?        ?        83.46142 18.68810 
0.000000       18.68810 
1 1 1 12  31 10 o 67.06292 11.01356 52.47860       14.49816  36.71469       
16.51963  105.3247       30.24648  53.11679 14.76243 87.80250 17.55368 
-34.68571      22.93602 
1 1 1 12  32 0  o 62.91845 9.135592 42.05579       11.34703  57.64112       
24.80309  37.93052       12.76070  70.82693 17.35648 59.13907 11.01615 
11.68785       20.55731 
1 1 1 12  32 1  o 85.30489 6.311918 75.32731       10.87158  85.50622       
26.88363  73.33727       11.88690  87.25998 15.72891 83.98672 7.024454 
3.273254       17.22619 
1 1 1 12  32 2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 12  32 3  o 131.8466 5.133805 178.4023       13.76448  189.6210       
29.91960  175.3905       15.50240  133.2558 11.14354 130.5515 5.839365 
2.704300       12.58080 
1 1 1 12  32 4  o 125.1946 6.023861 161.5494       15.33600  118.2324       
27.82242  180.4544       18.38041  103.6263 13.52563 131.8780 6.877624 
-28.25176      15.17381 
1 1 1 12  32 5  o 100.2837 13.07701 110.9586       26.03333  110.9586       
26.03333  0.000000       0.000000  100.2837 13.07701 ?        ?        
0.000000       13.07701 
1 1 1 12  32 6  o 64.22453 11.25760 45.56816       14.16675  58.71167       
25.72292  39.84576       16.97280  69.42358 18.05178 58.67756 14.34463 
10.74603       23.05722 
1 1 1 12  32 7  o 23.55317 10.99804 -10.36507      13.00466  -24.13259      
21.60520  -2.542876      16.28526  27.87858 13.35230 29.96607 13.32102 
-2.087488      18.86090 
1 1 1 12  32 8  o 157.8557 11.27863 278.0629       35.96656  0.000000       
0.000000  278.0629       35.96656  ?        ?        157.8557 11.27863 
0.000000       11.27863 
1 1 1 12  32 9  o 42.16045 14.44307 21.66271       14.91423  11.26851       
17.51639  49.05976       28.43813  36.19897 14.85910 57.52610 19.93113 
-21.32713      24.86047 
1 1 1 12  32 10 o 26.68768 11.83238 0.1351793      12.76696  5.095932       
14.53213  -16.64470      26.72698  30.49492 13.08058 31.10530 14.88536 
-0.6103802     19.81604 
1 1 1 12  33 0  o 15.90518 7.765969 -15.04296      8.249645  -5.476174      
23.45041  -16.39414      8.812984  35.68988 15.91726 16.32971 7.984632 
19.36017       17.80768 
1 1 1 12  33 1  o 33.02097 11.55777 10.53835       9.574461  -36.83078      
25.16507  18.55581       10.35307  28.78798 13.94267 41.18414 11.77232 
-12.39616      18.24789 
1 1 1 12  33 2  o 51.92656 14.72072 30.45645       16.25756  0.000000       
0.000000  30.45645       16.25756  ?        ?        51.92656 14.72072 
0.000000       14.72072 
1 1 1 12  33 3  o 127.2702 5.393850 166.5187       13.95973  171.0386       
32.16619  165.4698       15.49500  125.3168 12.80207 126.7000 6.014000 
-1.383148      14.14430 
1 1 1 12  33 4  o 59.34826 11.07686 38.66080       12.87661  30.71594       
23.33713  42.13827       15.43959  52.40545 18.06109 61.36003 12.78836 
-8.954582      22.13018 
1 1 1 12  33 5  o 36.66364 13.33965 12.95337       12.88011  11.81203       
24.98314  13.36655       15.03178  42.72649 17.66407 38.12054 14.31282 
4.605949       22.73492 
1 1 1 12  33 6  o 81.41984 8.875957 71.01796       14.45783  75.55857       
26.53848  69.10155       17.24097  79.10243 17.00401 79.26136 10.99261 
-0.1589279     20.24781 
1 1 1 12  33 7  o 98.59413 7.467680 103.0286       14.86117  90.08254       
24.23433  110.8310       18.81385  87.85590 14.03717 101.2111 9.243099 
-13.35517      16.80705 
1 1 1 12  33 8  o 53.08847 15.70288 35.90160       18.13984  14.89471       
23.38516  67.63722       28.74306  40.94039 17.02105 69.48607 19.52981 
-28.54568      25.90617 
1 1 1 12  33 9  o 37.07799 14.12442 15.37542       14.76474  5.879188       
17.50707  38.76698       27.47688  33.04076 14.26650 50.99706 19.30602 
-17.95630      24.00532 
1 1 1 12  33 10 o 36.18859 13.60839 15.73126       13.59873  27.63041       
15.67097  -20.54771      27.36310  44.95757 14.79748 30.16851 14.59371 
14.78906       20.78321 
1 1 1 12  34 0  o 107.7421 4.991433 119.0814       10.93610  100.4426       
27.89460  122.4666       11.88779  94.79092 14.96795 109.1903 5.353841 
-14.39941      15.89664 
1 1 1 12  34 1  o 38.28388 13.33752 14.70590       12.74308  0.000000       
0.000000  14.70590       12.74308  ?        ?        38.28388 13.33752 
0.000000       13.33752 
1 1 1 12  34 2  o 88.88091 6.456803 82.03242       11.59048  91.11037       
29.50035  80.37530       12.60405  88.75148 16.96397 87.77623 7.122678 
0.9752502      18.39861 
1 1 1 12  34 3  o 85.43508 7.280847 76.35540       12.52870  63.64127       
28.84809  79.31095       13.90889  72.39682 19.25896 86.84959 7.964120 
-14.45277      20.84070 
1 1 1 12  34 4  o 53.24800 12.27417 31.89309       13.01826  26.11561       
25.71370  33.88434       15.09589  49.98949 18.72951 54.44759 13.65771 
-4.458096      23.18032 
1 1 1 12  34 5  o 28.40996 12.17976 1.109982       12.58742  10.77982       
24.22116  -2.467888      14.73322  41.49977 17.29387 28.72820 12.72527 
12.77156       21.47116 
1 1 1 12  34 6  o 100.5668 7.217622 106.6552       14.66230  107.0800       
25.21739  106.4382       18.02168  96.96171 13.12682 99.48820 9.005452 
-2.526489      15.91891 
1 1 1 12  34 7  o 43.29065 14.08294 22.14557       14.20948  30.18251       
20.12648  14.15833       20.06413  49.20462 16.77848 39.69981 16.04942 
9.504818       23.21856 
1 1 1 12  34 8  o 40.68792 17.62145 13.19454       26.87144  0.000000       
0.000000  13.19454       26.87144  ?        ?        40.68792 17.62145 
0.000000       17.62145 
1 1 1 12  34 9  o 31.91853 13.49408 7.354421       15.07913  7.354421       
15.07913  0.000000       0.000000  31.91853 13.49408 ?        ?        
0.000000       13.49408 
1 1 1 12  35 0  o 38.53314 10.66743 16.25272       8.643665  -4.700067      
24.68188  19.18162       9.228042  36.60771 16.32799 41.73274 10.79311 
-5.125027      19.57280 
1 1 1 12  35 1  o 77.75397 9.103398 64.27789       14.12142  0.000000       
0.000000  64.27789       14.12142  ?        ?        77.75397 9.103398 
0.000000       9.103398 
1 1 1 12  35 2  o 30.16393 11.95179 6.058949       10.90013  -6.764654      
26.49563  8.671425       11.95901  37.03401 16.68563 32.95088 12.67372 
4.083130       20.95312 
1 1 1 12  35 3  o 57.49823 11.52899 36.72411       13.01099  33.07291       
27.86324  37.74226       14.71368  54.15239 19.63268 57.79594 12.85163 
-3.643543      23.46500 
1 1 1 12  35 4  o 62.89318 10.85692 43.62606       13.38363  52.97211       
26.28892  40.35629       15.54954  65.29730 18.78780 59.41352 13.21186 
5.883781       22.96812 
1 1 1 12  35 5  o 32.32731 13.01950 7.124660       13.14946  -1.259174      
24.08614  10.68437       15.69471  36.32608 16.17137 36.27473 14.35147 
0.5134964E-01  21.62124 
1 1 1 12  35 6  o 57.50179 11.69842 37.91502       13.21365  44.15771       
23.15364  34.89979       16.09139  58.43272 17.84567 53.73069 14.42427 
4.702034       22.94618 
1 1 1 12  35 7  o 36.93570 15.62322 9.523912       20.22969  9.523912       
20.22969  0.000000       0.000000  36.93570 15.62322 ?        ?        
0.000000       15.62322 
1 1 1 12  35 8  o 30.46121 13.60510 0.6459379      17.19928  11.89136       
21.55319  -19.06999      28.53858  37.43864 15.99103 31.86631 15.28430 
5.572330       22.12064 
1 1 1 12  35 9  o 27.33056 12.10666 1.293085       13.33688  -1.804500      
15.07210  12.46997       28.63009  27.30224 12.41405 38.41405 17.32258 
-11.11180      21.31151 
1 1 1 12  36 0  o 115.6741 5.084305 137.5095       11.95967  0.000000       
0.000000  137.5095       11.95967  ?        ?        115.6741 5.084305 
0.000000       5.084305 
1 1 1 12  36 1  o 50.18327 10.11155 27.59204       9.962172  17.47365       
26.50170  29.25712       10.75065  46.21569 18.52883 51.55236 10.60876 
-5.336678      21.35096 
1 1 1 12  36 2  o 73.44180 7.599050 56.85807       11.18474  45.62722       
29.31067  58.77214       12.10037  61.04335 20.24432 74.49756 8.118848 
-13.45420      21.81166 
1 1 1 12  36 3  o 90.12516 8.619250 86.40162       15.60408  107.9759       
30.72569  78.90346       18.11385  95.89203 16.34278 85.09056 10.70531 
10.80147       19.53689 
1 1 1 12  36 4  o 47.63072 12.84946 26.15532       12.73255  18.88355       
23.30608  29.24906       15.20165  44.50762 17.52664 49.93798 14.26174 
-5.430363      22.59603 
1 1 1 12  36 5  o 40.51740 17.11830 10.75304       24.24147  10.75304       
24.24147  0.000000       0.000000  40.51740 17.11830 ?        ?        
0.000000       17.11830 
1 1 1 12  36 6  o 38.53321 13.24733 16.87405       12.55123  23.22706       
21.82305  13.73387       15.34272  44.74944 17.14198 37.14651 14.33628 
7.602921       22.34673 
1 1 1 12  36 7  o 52.81952 13.16809 34.55933       14.09456  22.70833       
20.59379  45.00203       19.33148  42.96577 16.60173 58.14613 15.89445 
-15.18036      22.98372 
1 1 1 12  36 8  o 38.54675 15.38173 17.82252       18.17215  2.003086       
24.25139  38.07825       27.44196  34.22669 15.63368 48.80407 19.07834 
-14.57738      24.66566 
1 1 1 12  37 0  o 39.92919 10.63770 17.63488       8.792907  0.000000       
0.000000  17.63488       8.792907  ?        ?        39.92919 10.63770 
0.000000       10.63770 
1 1 1 12  37 1  o 32.58052 11.52985 10.37953       9.547780  -69.83390      
27.21927  21.63386       10.19560  24.96973 12.51349 43.98050 11.33012 
-19.01078      16.88074 
1 1 1 12  37 2  o 19.17406 9.244796 -15.44408      10.76105  -21.21324      
26.31272  -14.28537      11.79230  32.47522 15.31475 20.85009 9.952858 
11.62513       18.26475 
1 1 1 12  37 3  o 86.70818 12.38421 84.40362       21.21595  79.13533       
29.91946  89.73179       30.08904  79.22034 18.84625 85.33457 17.91015 
-6.114227      25.99912 
1 1 1 12  37 4  o 78.61311 8.870649 66.82294       13.93286  92.68753       
26.34101  56.77548       16.41752  88.16238 15.24414 70.80393 11.81911 
17.35845       19.28925 
1 1 1 12  37 5  o 36.22655 13.12817 13.92334       12.45701  -14.59985      
20.53066  30.54233       15.67133  28.86397 13.58615 49.90746 14.54829 
-21.04349      19.90568 
1 1 1 12  37 6  o 64.32259 10.28050 47.13869       12.99430  45.64159       
21.62119  47.98520       16.25811  57.89876 17.14790 62.86555 13.14071 
-4.966789      21.60391 
1 1 1 12  37 7  o 54.90118 12.33739 37.22555       13.43826  53.91025       
20.41932  24.47797       17.84826  62.72453 15.96731 42.96893 15.69244 
19.75559       22.38767 
1 1 1 12  37 8  o 19.28657 9.653395 -35.82477      15.96580  -45.83893      
20.03142  -18.38257      26.43656  21.06969 10.58331 29.63945 14.33940 
-8.569759      17.82203 
1 1 1 12  38 0  o 38.37710 15.73100 9.441434       19.59789  -11.37208      
26.65056  33.94971       28.91945  35.37680 16.24411 54.35947 19.95638 
-18.98267      25.73185 
1 1 1 12  38 1  o 67.97592 7.677187 49.01115       10.42633  24.11654       
29.55299  52.55025       11.14283  49.46892 19.65476 70.31981 7.930834 
-20.85089      21.19452 
1 1 1 12  38 2  o 83.53640 7.870340 74.10637       13.21207  87.40047       
30.19575  70.95862       14.69321  83.81821 18.23432 81.17857 9.054985 
2.639641       20.35886 
1 1 1 12  38 3  o 72.72462 12.39225 60.39195       17.66961  0.000000       
0.000000  60.39195       17.66961  ?        ?        72.72462 12.39225 
0.000000       12.39225 
1 1 1 12  38 4  o 94.88313 8.148382 96.81744       15.56960  -1.774067      
47.35239  108.7683       16.48626  45.38424 21.12291 100.6165 8.126887 
-55.23227      22.63235 
1 1 1 12  38 5  o 44.28752 13.65013 24.01286       13.51094  -25.29417      
33.92362  33.30862       14.72958  34.38667 16.53772 51.91883 13.73795 
-17.53217      21.49947 
1 1 1 12  38 6  o 34.93391 13.46991 13.08809       13.53461  -31.41694      
33.06817  22.04396       14.83404  31.92004 15.57727 41.68234 14.39763 
-9.762302      21.21187 
1 1 1 12  38 7  o 65.81419 11.17770 52.40809       14.42462  0.000000       
0.000000  52.40809       14.42462  ?        ?        65.81419 11.17770 
0.000000       11.17770 
1 1 1 12  38 8  o 42.53279 18.17106 30.44283       27.84198  0.000000       
0.000000  30.44283       27.84198  ?        ?        42.53279 18.17106 
0.000000       18.17106 
1 1 1 12  39 0  o 128.1539 4.234891 168.6611       11.03635  182.1228       
36.05697  167.2695       11.59274  126.2967 14.29078 127.5522 4.469376 
-1.255478      14.97337 
1 1 1 12  39 1  o 74.04494 6.693012 57.68514       9.968920  70.53846       
28.92386  55.95246       10.61961  74.16868 19.07070 72.69410 7.281784 
1.474579       20.41363 
1 1 1 12  39 2  o 90.89780 7.361459 87.58788       13.49034  84.00813       
27.27127  88.74763       15.52256  82.43992 16.83657 90.89565 8.496408 
-8.455734      18.85892 
1 1 1 12  39 3  o 36.63265 12.36028 14.91970       10.92128  28.46187       
27.83104  12.45479       11.87368  48.86379 19.18113 34.87093 12.78950 
13.99286       23.05400 
1 1 1 12  39 4  o 63.59172 9.577706 45.23532       12.00127  49.57869       
22.14082  43.42826       14.28127  60.89952 17.14921 60.79691 11.97744 
0.1026115      20.91780 
1 1 1 12  39 5  o 23.43611 10.75840 -5.098430      11.67923  4.520034       
20.62961  -9.635459      14.16850  34.17432 15.10167 24.21558 11.36258 
9.958742       18.89890 
1 1 1 12  39 6  o 33.11595 12.41697 12.37071       11.30589  14.01622       
19.54761  11.54355       13.85917  36.74652 15.44016 33.44179 13.40215 
3.304729       20.44545 
1 1 1 12  39 7  o 20.01304 9.579928 -10.86367      11.08794  -13.22352      
23.00209  -10.14934      12.65531  28.48858 13.67948 21.84413 10.39501 
6.644453       17.18093 
1 1 1 12  40 0  o 120.6655 4.223845 149.7247       10.36436  222.6851       
37.21337  143.5894       10.79135  139.9777 13.23027 118.0798 4.494162 
21.89792       13.97274 
1 1 1 12  40 1  o 135.3121 4.511390 188.8163       12.41362  141.3952       
36.21408  195.1302       13.21422  106.7412 17.27391 137.4613 4.727261 
-30.72004      17.90907 
1 1 1 12  40 2  o 69.32991 7.618265 51.62091       10.56348  46.80193       
28.23283  52.40535       11.39085  58.14781 19.87199 69.56940 8.209849 
-11.42159      21.50111 
1 1 1 12  40 3  o 32.85908 12.12676 11.06615       10.69965  -4.016549      
27.53001  13.74979       11.61259  35.92847 16.50205 35.46062 12.69775 
0.4678497      20.82188 
1 1 1 12  40 4  o 30.23360 12.07790 7.761045       11.21639  0.1911443      
20.48017  11.00441       13.40561  32.57572 14.67402 33.68550 13.28376 
-1.109779      19.79356 
1 1 1 12  40 5  o 43.45147 12.37603 23.82739       11.46326  25.80883       
20.15559  22.88003       13.93678  43.23789 16.49515 41.83156 13.96355 
1.406334       21.61182 
1 1 1 12  40 6  o 29.41791 11.91816 8.183428       11.08967  19.59175       
19.56125  2.780236       13.46204  38.47289 15.73704 27.77879 12.24121 
10.69411       19.93744 
1 1 1 12  40 7  o 29.57926 12.21181 8.727536       11.91676  26.50126       
24.19173  3.032917       13.69336  40.18623 17.04623 27.45762 12.21005 
12.72861       20.96806 
1 1 1 12  41 0  o 71.77243 15.59133 63.28695       22.10481  69.41244       
31.78461  57.54915       30.76231  70.39110 20.77617 64.07790 20.71117 
6.313202       29.33602 
1 1 1 12  41 1  o 158.4622 4.182417 258.9600       13.47735  297.1424       
38.26353  253.5521       14.40017  161.8519 11.70455 156.6129 4.521566 
5.239014       12.54755 
1 1 1 12  41 2  o 135.0836 4.745506 189.3900       13.03577  162.4089       
34.21558  193.9715       14.09913  114.6076 15.04456 136.5057 5.079141 
-21.89803      15.87881 
1 1 1 12  41 3  o 26.02763 10.98494 3.049528       9.965519  -18.30589      
29.76726  5.745129       10.57579  32.90813 15.73772 28.36432 11.58318 
4.543808       19.54088 
1 1 1 12  41 4  o 32.77014 13.54732 9.514290       14.69417  14.26449       
20.06161  4.016240       21.58311  37.28955 15.65370 33.73002 15.14016 
3.559528       21.77757 
1 1 1 12  41 5  o 23.98000 11.06201 -4.306509      12.55841  0.000000       
0.000000  -4.306509      12.55841  ?        ?        23.98000 11.06201 
0.000000       11.06201 
1 1 1 12  41 6  o 93.18340 6.757048 95.88519       12.71702  90.74096       
21.75084  98.55699       15.67540  81.81312 13.54789 92.50002 8.425867 
-10.68690      15.95433 
1 1 1 12  42 0  o 35.98270 15.52790 6.507865       20.71585  -28.54173      
29.90096  38.86042       28.72751  31.86044 15.37391 53.05297 19.81252 
-21.19253      25.07774 
1 1 1 12  42 1  o 79.21013 5.519117 65.95008       8.834451  57.23479       
31.71712  66.68312       9.198482  60.68549 21.04753 79.55367 5.724232 
-18.86818      21.81205 
1 1 1 12  42 2  f 34.05692 11.20708 13.40738       8.989053  9.776385       
26.42667  13.88247       9.559051  38.61448 17.07661 34.60493 11.56430 
4.009556       20.62386 
1 1 1 12  42 3  o 15.35535 7.687838 -25.55942      10.15865  8.766794       
28.62480  -30.50566      10.86594  37.94110 17.19553 15.25403 7.679592 
22.68707       18.83249 
1 1 1 12  42 4  o 68.58759 11.70305 58.38443       15.73712  42.04654       
21.47099  77.34977       23.13313  51.38008 17.33078 73.75643 15.89230 
-22.37635      23.51427 
1 1 1 12  42 5  o 78.10806 7.399847 68.48376       11.61339  34.59561       
20.17053  85.28844       14.20393  45.57157 16.67616 86.33543 8.188297 
-40.76386      18.57801 
1 1 1 12  43 0  o 68.19837 16.50154 62.07721       22.63708  66.26554       
36.22356  59.39342       28.99650  62.49932 22.42137 62.32428 20.10416 
0.1750336      30.11470 
1 1 1 12  43 1  o 52.85927 6.532518 30.17355       6.872448  24.02699       
30.90248  30.49336       7.048973  44.30172 19.04081 53.07307 6.679246 
-8.771347      20.17833 
1 1 1 12  43 2  o 84.61938 5.900905 76.45340       10.09050  121.6804       
31.43117  71.25654       10.65447  92.43064 17.35965 81.26871 6.501422 
11.16193       18.53715 
1 1 1 12  43 3  o 99.48991 6.438477 107.3824       12.95625  156.0981       
31.04065  97.10456       14.25762  107.5792 14.56333 93.48999 7.564293 
14.08920       16.41064 
1 1 1 12  43 4  o 24.83508 10.78506 2.685214       10.12074  3.215161       
21.22889  2.529336       11.51337  31.39741 14.44680 25.82434 11.35217 
5.573065       18.37340 
1 1 1 12  43 5  o 19.29261 9.153881 -7.339860      9.674316  5.822036       
18.89811  -12.01400      11.26186  30.47539 13.87376 19.39708 9.378130 
11.07831       16.74606 
1 1 1 12  44 0  o 89.87775 12.44398 98.45837       22.13359  186.2205       
36.24351  46.26150       27.95109  119.1187 15.31719 53.34859 19.61425 
65.77013       24.88644 
1 1 1 12  44 1  o 45.77927 16.64139 30.93271       20.03871  43.31689       
30.33769  21.34786       26.68957  49.70618 19.86117 41.02622 17.66492 
8.679962       26.58036 
1 1 1 12  44 2  o 39.54852 10.13699 19.12101       8.190279  47.25216       
28.05246  16.49958       8.563390  50.35447 19.39883 36.40744 10.79386 
13.94702       22.19959 
1 1 1 12  44 3  f 34.16455 11.15906 14.93958       8.918324  39.45808       
29.40050  12.45489       9.359309  44.50536 18.83028 31.70858 11.39466 
12.79679       22.00949 
1 1 1 12  44 4  o 26.44360 11.03407 6.233671       9.878480  -16.91892      
20.95507  12.84898       11.20120  25.38681 12.39148 31.65373 12.24019 
-6.266920      17.41755 
1 1 1 12  45 0  o 23.77651 11.61914 -22.96126      18.58178  -42.98993      
28.69132  -8.490845      24.38738  26.84697 13.35885 30.68166 14.55075 
-3.834684      19.75306 
1 1 1 12  45 1  o 37.66205 15.61453 19.06881       19.60173  109.4570       
32.00143  -35.20787      24.79820  79.85204 19.80417 25.34984 12.58119 
54.50219       23.46256 
1 1 1 12  45 2  o 41.78206 9.285061 21.20100       7.684341  -0.7843686     
29.31849  22.82271       7.962709  32.69861 15.63227 43.38041 9.305348 
-10.68180      18.19223 
1 1 1 12  45 3  o 31.49469 10.92239 12.85442       8.541269  7.687284       
26.21112  13.46829       9.034398  32.75546 15.39686 32.03790 11.22632 
0.7175598      19.05502 
1 1 1 12  46 0  o 58.07965 16.01145 52.19582       19.52018  72.28067       
30.76936  38.66768       25.25242  58.69122 20.70588 45.56097 18.14752 
13.13026       27.53300 
1 1 1 12  46 1  o 27.65644 12.89224 -1.515645      17.75068  9.074830       
28.26799  -8.410212      22.80819  34.12682 16.02482 28.31342 13.60237 
5.813402       21.01950 
1 1 1 12  46 2  o 24.63482 9.220345 6.692767       6.228542  -5.533951      
28.39193  7.310945       6.384057  30.16827 14.65731 25.36166 9.365705 
4.806614       17.39406 
1 1 1 12  46 3  o 37.44597 10.61826 18.99570       8.457603  -11.98059      
27.87134  22.13738       8.876142  28.10671 13.83501 40.52805 10.63605 
-12.42134      17.45088 
1 1 1 12  47 0  o 27.66360 12.90372 -0.3912153     17.82691  0.5924713      
28.10731  -1.053222      23.05803  31.54646 15.14081 29.65637 14.08890 
1.890091       20.68191 
1 1 1 12  47 1  o 35.86024 14.90580 21.47897       17.92859  23.10557       
27.81854  20.32335       23.44777  35.82376 16.50357 35.04734 15.75233 
0.7764206      22.81455 
1 1 1 12  47 2  o 40.82812 15.57006 32.25799       17.95407  33.53162       
27.74079  31.33994       23.55208  37.51810 16.97268 37.83767 16.44209 
-0.3195686     23.63079 
1 1 1 12  48 0  o 25.52842 12.26229 -5.953657      18.51801  -20.89404      
28.53578  4.915227       24.33892  26.83403 13.34756 30.11890 14.35558 
-3.284868      19.60204 
1 1 1 12  48 1  o 29.34324 13.54918 8.839244       18.90819  -17.35741      
32.31502  22.47730       23.31620  27.71264 13.85028 33.97514 15.44512 
-6.262506      20.74565 
1 1 1 13  0  0  o 150.6906 10.53765 235.1148       31.92834  235.1148       
31.92834  235.1148       31.92834  150.6906 10.53765 150.6906 10.53765 
0.000000       0.000000 
1 1 1 13  0  1  o 161.0724 9.558453 267.5350       31.05592  267.5350       
31.05592  267.5350       31.05592  161.0724 9.558453 161.0724 9.558453 
0.000000       0.000000 
1 1 1 13  0  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 13  0  3  o 38.30140 19.52370 22.35043       19.13203  22.35043       
19.13203  22.35043       19.13203  38.30140 19.52370 38.30140 19.52370 
0.000000       0.000000 
1 1 1 13  0  4  o 75.95245 15.50080 66.20338       21.17476  66.20338       
21.17476  66.20338       21.17476  75.95245 15.50080 75.95245 15.50080 
0.000000       0.000000 
1 1 1 13  0  5  o 41.50986 20.22086 26.52640       20.08332  26.52640       
20.08332  26.52640       20.08332  41.50986 20.22086 41.50986 20.22086 
0.000000       0.000000 
1 1 1 13  0  6  o 151.4899 8.314672 236.8729       25.43779  236.8729       
25.43779  236.8729       25.43779  151.4899 8.314672 151.4899 8.314672 
0.000000       0.000000 
1 1 1 13  0  7  o 36.13808 19.92130 19.45713       21.26279  19.45713       
21.26279  19.45713       21.26279  36.13808 19.92130 36.13808 19.92130 
0.000000       0.000000 
1 1 1 13  0  8  o 21.31637 14.73848 -16.27971      21.70809  -16.27971      
21.70809  -16.27971      21.70809  21.31637 14.73848 21.31637 14.73848 
0.000000       0.000000 
1 1 1 13  0  9  o 151.8557 16.01483 250.2260       48.19591  250.2260       
48.19591  250.2260       48.19591  151.8557 16.01483 151.8557 16.01483 
0.000000       0.000000 
1 1 1 13  0  10 o 100.6817 13.06652 110.8901       25.50885  110.8901       
25.50885  110.8901       25.50885  100.6817 13.06652 100.6817 13.06652 
0.000000       0.000000 
1 1 1 13  0  11 o 21.54513 14.84192 -13.72761      21.53287  -13.72761      
21.53287  -13.72761      21.53287  21.54513 14.84192 21.54513 14.84192 
0.000000       0.000000 
1 1 1 13  0  12 o 99.48388 11.19203 108.2037       21.90489  108.2037       
21.90489  108.2037       21.90489  99.48388 11.19203 99.48388 11.19203 
0.000000       0.000000 
1 1 1 13  0  13 o 18.58381 12.99128 -14.47534      18.14347  -14.47534      
18.14347  -14.47534      18.14347  18.58381 12.99128 18.58381 12.99128 
0.000000       0.000000 
1 1 1 13  1  0  o 151.2444 5.783857 233.1138       17.78887  221.9751       
30.30646  238.9685       21.97210  146.8873 10.20955 153.0468 7.059860 
-6.159485      12.41276 
1 1 1 13  1  1  o 227.5634 5.000718 527.5781       23.14121  518.4371       
28.22113  546.3394       40.43057  225.4684 6.155130 231.1265 8.602185 
-5.658035      10.57749 
1 1 1 13  1  2  o 253.0345 5.768648 652.9922       29.68283  532.1000       
58.15657  695.5791       34.51732  226.7591 12.66254 261.0477 6.502281 
-34.28860      14.23445 
1 1 1 13  1  3  o 127.5220 9.001554 167.5721       23.19295  0.000000       
0.000000  167.5721       23.19295  ?        ?        127.5220 9.001554 
0.000000       9.001554 
1 1 1 13  1  4  o 74.27788 14.41837 59.33564       20.99309  0.000000       
0.000000  59.33564       20.99309  ?        ?        74.27788 14.41837 
0.000000       14.41837 
1 1 1 13  1  5  o 173.4239 5.498531 307.0486       19.39131  271.0782       
27.55277  342.3515       27.29594  162.3046 8.376572 182.8320 7.341662 
-20.52737      11.13853 
1 1 1 13  1  6  o 75.55435 9.881229 59.85418       14.81800  71.30212       
21.19412  48.90703       20.72537  81.71165 13.20539 66.86948 15.53751 
14.84217       20.39109 
1 1 1 13  1  7  o 110.2686 8.216996 125.7335       18.29312  150.2439       
29.74908  110.8306       23.19712  119.3871 12.43617 102.7061 11.29326 
16.68095       16.79869 
1 1 1 13  1  8  o 88.04288 9.219476 80.92354       16.26160  91.22677       
23.37122  71.25414       22.64092  92.50494 12.76411 81.09252 14.24977 
11.41241       19.13056 
1 1 1 13  1  9  o 173.9091 9.690056 314.4252       34.13276  341.5110       
49.21199  289.3163       47.38202  179.4049 13.59006 164.6867 14.28993 
14.71825       19.72034 
1 1 1 13  1  10 o 175.8282 5.937061 316.9899       21.22812  326.7158       
30.18642  307.4742       29.85846  177.7799 8.349831 172.4084 8.516432 
5.371506       11.92683 
1 1 1 13  1  11 o 34.88041 14.20247 6.355592       15.84097  -12.57372      
22.87146  23.80829       21.96129  33.01146 15.11755 48.70079 17.45944 
-15.68933      23.09485 
1 1 1 13  1  12 o 33.75906 13.53353 7.309230       14.13702  -15.22313      
20.59702  27.37867       19.43876  29.89090 13.91833 49.62468 16.48774 
-19.73378      21.57697 
1 1 1 13  1  13 o 90.31326 7.702751 86.25488       14.01126  78.09473       
19.64793  94.69843       19.98622  83.75584 11.86792 93.02573 10.76399 
-9.269882      16.02220 
1 1 1 13  2  0  o 130.1356 6.425250 172.6801       17.00347  150.5868       
28.63547  184.7124       21.13231  120.5576 11.83292 134.2835 7.772014 
-13.72598      14.15706 
1 1 1 13  2  1  o 119.2116 6.703977 145.4699       16.18587  143.2163       
19.34679  150.7266       29.54771  118.0987 8.104918 120.4383 12.23429 
-2.339561      14.67541 
1 1 1 13  2  2  o 85.54515 9.260449 75.85250       15.85223  105.4444       
25.65232  57.57029       20.16296  100.2867 12.87598 73.41571 14.01686 
26.87099       19.03322 
1 1 1 13  2  3  o 111.2984 7.116837 127.1378       16.02315  142.4227       
23.49624  113.8502       21.90742  117.3298 9.941242 104.7123 10.42693 
12.61748       14.40657 
1 1 1 13  2  4  o 33.97992 13.41682 6.885697       13.69164  11.57325       
19.65358  2.465557       19.08475  41.45502 16.16218 36.27374 15.24966 
5.181282       22.22089 
1 1 1 13  2  5  o 46.44328 17.41203 17.74414       22.23038  17.74414       
22.23038  0.000000       0.000000  46.44328 17.41203 ?        ?        
0.000000       17.41203 
1 1 1 13  2  6  o 52.35640 16.57366 28.82432       19.77757  0.000000       
0.000000  28.82432       19.77757  ?        ?        52.35640 16.57366 
0.000000       16.57366 
1 1 1 13  2  7  o 87.24890 12.97478 81.21648       22.31957  0.000000       
0.000000  81.21648       22.31957  ?        ?        87.24890 12.97478 
0.000000       12.97478 
1 1 1 13  2  8  f 41.03585 15.85301 12.51598       18.77536  -0.7772909     
26.99608  24.96984       26.12984  40.78049 17.66191 51.84964 18.97937 
-11.06915      25.92603 
1 1 1 13  2  9  o 83.59589 10.57196 73.77241       17.57007  82.58008       
26.40748  66.77638       23.53544  86.83857 15.52397 77.93664 15.39619 
8.901932       21.86404 
1 1 1 13  2  10 f 95.54871 9.390308 95.64011       18.00982  113.9756       
26.12681  79.03971       24.85986  103.2045 12.71814 84.85450 14.95331 
18.35000       19.63040 
1 1 1 13  2  11 o 97.14156 8.618223 98.81737       16.84771  99.39848       
23.87242  98.24072       23.78036  95.92464 12.53815 95.34078 12.57223 
0.5838547      17.75574 
1 1 1 13  2  12 o 83.87256 9.266665 74.81189       15.54103  98.31343       
22.07744  51.72764       21.88056  95.15618 11.65284 66.62789 16.28630 
28.52829       20.02579 
1 1 1 13  2  13 o 28.49120 12.18265 1.515644       12.53426  -18.68399      
18.33983  19.22089       17.17017  26.43119 12.55914 42.58247 15.41575 
-16.15128      19.88410 
1 1 1 13  3  0  o 283.7594 6.089182 820.8062       35.13667  0.000000       
0.000000  820.8062       35.13667  ?        ?        283.7594 6.089182 
0.000000       6.089182 
1 1 1 13  3  1  o 274.9430 4.946163 770.1307       27.65429  742.0862       
47.10520  784.8798       34.16082  269.3535 8.599930 277.4268 6.055198 
-8.073364      10.51781 
1 1 1 13  3  2  o 324.9563 5.298186 1076.487       35.01093  1027.904       
56.52766  1106.723       44.59379  316.8175 8.774056 329.2384 6.660586 
-12.42093      11.01578 
1 1 1 13  3  3  o 28.14627 12.34169 -3.074038      13.53259  28.66591       
19.48472  -32.65097      18.80909  52.47332 16.42866 24.43668 11.88586 
28.03664       20.27744 
1 1 1 13  3  4  f 173.3310 5.280687 306.5127       18.61307  320.2275       
27.05592  294.1897       25.64633  176.8580 7.522914 169.5282 7.439293 
7.329773       10.58004 
1 1 1 13  3  5  o 89.68002 8.540977 83.31150       15.38777  94.43156       
22.91967  74.18571       20.76300  94.68625 12.18621 83.64826 12.59696 
11.03799       17.52675 
1 1 1 13  3  6  o 171.5853 7.713949 302.0892       26.91586  302.0892       
26.91586  0.000000       0.000000  171.5853 7.713949 ?        ?        
0.000000       7.713949 
1 1 1 13  3  7  o 82.87722 10.48051 72.23000       17.26838  58.88881       
27.22804  81.20694       22.33485  72.62945 18.41079 87.23222 12.98688 
-14.60278      22.53034 
1 1 1 13  3  8  o 168.8539 6.606593 292.3395       22.68506  278.2871       
30.05325  310.9495       34.58503  163.9087 9.051580 172.9916 9.872241 
-9.082977      13.39374 
1 1 1 13  3  9  o 90.21597 11.74418 86.43524       21.03479  151.9812       
45.40304  68.52164       23.73576  116.2710 19.91928 78.98425 15.33073 
37.28680       25.13581 
1 1 1 13  3  10 o 50.45863 17.67475 25.74242       22.39301  0.000000       
0.000000  25.74242       22.39301  ?        ?        50.45863 17.67475 
0.000000       17.67475 
1 1 1 13  3  11 o 35.49192 14.66484 5.513918       17.20543  59.00547       
28.06527  -26.69494      21.77782  71.04922 19.03925 28.18823 13.47510 
42.86099       23.32534 
1 1 1 13  3  12 o 34.12933 13.57521 7.959259       14.11252  17.66590       
20.40814  -0.9360296     19.53660  43.73332 16.61865 33.96226 14.86196 
9.771061       22.29478 
1 1 1 13  3  13 o 99.45700 7.236925 104.0807       14.53626  111.9635       
21.09636  96.95500       20.05769  101.4319 10.37376 94.15533 10.66376 
7.276619       14.87718 
1 1 1 13  4  0  f 362.3641 4.434968 1336.953       32.68038  1324.180       
46.00768  1349.962       46.42928  360.3774 6.278000 363.8692 6.274732 
-3.491852      8.876122 
1 1 1 13  4  1  o 105.8194 6.157311 114.5927       13.19248  104.9002       
18.56854  124.4720       18.74670  100.8201 9.156750 110.0039 8.444863 
-9.183708      12.45640 
1 1 1 13  4  2  o 56.13628 13.86186 33.89468       15.72978  22.00204       
23.35721  43.76460       21.27838  49.76183 17.98528 63.61491 16.35722 
-13.85308      24.31108 
1 1 1 13  4  3  o 208.4349 4.919008 442.8989       20.84968  485.2119       
31.03504  408.0927       28.14776  217.8704 7.004910 199.8193 6.927155 
18.05110       9.851611 
1 1 1 13  4  4  o 192.5713 5.144204 378.2850       20.14472  400.0812       
29.25266  358.6252       27.78207  197.7201 7.275503 187.1924 7.298352 
10.52768       10.30528 
1 1 1 13  4  5  o 36.96088 13.71425 11.22735       13.72095  9.929671       
19.76377  12.43475       19.06386  40.53779 16.08363 41.45597 15.98582 
-0.9181747     22.67664 
1 1 1 13  4  6  o 75.14526 10.25671 59.37213       15.26398  65.94599       
22.33978  53.61576       20.90466  78.09795 14.60345 70.13164 15.10439 
7.966316       21.00960 
1 1 1 13  4  7  o 212.9216 5.195653 463.1435       22.49631  425.7449       
32.94516  495.8154       30.79294  203.4976 7.961243 219.9115 6.885759 
-16.41389      10.52592 
1 1 1 13  4  8  o 119.1340 8.520215 147.0603       20.50510  152.1401       
27.75716  140.9579       30.42303  120.2836 11.48761 115.1187 13.23676 
5.164902       17.52646 
1 1 1 13  4  9  o 31.42780 13.61310 -1.186224      16.04192  4.677335       
24.27581  -5.731625      21.37368  40.85039 17.18769 34.42289 15.28350 
6.427505       23.00004 
1 1 1 13  4  10 o 41.10073 15.13473 15.10118       16.65120  47.99786       
23.82637  -16.30364      23.27984  65.13664 17.57971 32.46007 15.00442 
32.67657       23.11231 
1 1 1 13  4  11 o 36.20526 15.34453 3.196188       19.57620  59.22475       
42.73441  -11.68369      22.02280  70.54909 24.43323 32.53603 14.87567 
38.01306       28.60539 
1 1 1 13  4  12 o 102.1997 10.77595 112.3657       22.05768  0.000000       
0.000000  112.3657       22.05768  ?        ?        102.1997 10.77595 
0.000000       10.77595 
1 1 1 13  4  13 o 30.38422 12.72256 3.824276       13.19792  -12.00561      
21.21294  13.82172       16.85801  30.80577 14.26894 38.89960 15.02343 
-8.093836      20.71971 
1 1 1 13  5  0  o 362.9449 5.163918 1341.964       38.11284  1281.001       
65.33423  1373.411       46.92431  353.8925 9.078582 367.0021 6.287498 
-13.10965      11.04325 
1 1 1 13  5  1  o 176.7382 4.608466 318.1653       16.56297  302.6926       
23.14095  334.4178       23.71682  172.2261 6.607405 181.0430 6.442038 
-8.816925      9.228090 
1 1 1 13  5  2  o 479.5052 10.12242 2360.935       98.70277  2360.935       
98.70277  0.000000       0.000000  479.5052 10.12242 ?        ?        
0.000000       10.12242 
1 1 1 13  5  3  o 68.27428 10.49982 49.04481       14.11077  66.66960       
20.86847  34.19856       19.15301  79.15394 13.44584 56.43437 15.97068 
22.71957       20.87709 
1 1 1 13  5  4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 13  5  5  o 219.7069 4.909628 492.4572       21.93531  490.2003       
32.11489  494.4308       30.03217  218.7769 7.218609 219.8252 6.718275 
-1.048309      9.861214 
1 1 1 13  5  6  o 212.5749 5.010820 461.2719       21.66069  463.3971       
31.88918  459.4514       29.51417  212.5765 7.376947 211.7928 6.852798 
0.7837372      10.06877 
1 1 1 13  5  7  o 38.50626 14.32172 12.37760       14.98099  -19.31729      
20.68863  47.31705       21.72176  29.47174 13.79738 65.43762 16.36579 
-35.96589      21.40577 
1 1 1 13  5  8  f 235.6740 7.143968 570.4026       34.23754  607.4427       
57.91965  550.5084       42.44766  241.1375 11.81162 230.8381 9.042633 
10.29948       14.87561 
1 1 1 13  5  9  o 161.8184 6.268900 268.4780       20.62864  297.0367       
31.03381  245.8703       27.61173  169.2165 9.051440 153.9772 8.855624 
15.23932       12.66296 
1 1 1 13  5  10 o 161.5011 7.711050 269.1195       25.32448  268.1388       
30.06183  271.5166       46.99883  160.4449 9.253040 158.6146 14.73969 
1.830292       17.40336 
1 1 1 13  5  11 o 35.03305 14.08329 7.359650       15.35536  7.159448       
22.00162  7.549775       21.44075  39.76900 16.51994 39.56855 16.36165 
0.2004547      23.25106 
1 1 1 13  5  12 o 53.72907 13.23306 32.67766       14.36316  9.198586       
20.60975  54.84975       20.02791  39.24885 16.11522 69.27773 14.67301 
-30.02888      21.79444 
1 1 1 13  5  13 o 56.85147 12.31822 36.91914       13.82955  70.16547       
22.75903  17.45708       17.41310  77.16960 15.04347 41.39222 15.43157 
35.77738       21.55086 
1 1 1 13  6  0  o 101.1888 7.362143 105.0754       15.04529  127.4976       
28.54334  96.44891       17.70448  110.5678 12.93948 96.67578 9.113164 
13.89204       15.82656 
1 1 1 13  6  1  o 237.1108 4.895456 572.8166       23.60456  586.7513       
43.11210  566.8510       28.20829  239.4207 8.854951 235.7655 5.883626 
3.655136       10.63143 
1 1 1 13  6  2  f 194.8266 4.761038 386.8018       18.86259  375.7291       
36.10641  390.9581       22.12127  191.4214 9.275606 195.7915 5.556033 
-4.370071      10.81233 
1 1 1 13  6  3  o 130.5257 9.495529 175.8823       25.03110  175.8823       
25.03110  0.000000       0.000000  130.5257 9.495529 ?        ?        
0.000000       9.495529 
1 1 1 13  6  4  o 456.7018 7.177627 2134.618       66.65997  0.000000       
0.000000  2134.618       66.65997  ?        ?        456.7018 7.177627 
0.000000       7.177627 
1 1 1 13  6  5  o 199.6796 5.082493 406.8908       20.63773  450.2467       
31.13098  372.8975       27.56550  209.6416 7.302373 190.8246 7.103625 
18.81694       10.18755 
1 1 1 13  6  6  o 67.75299 11.67908 48.95544       15.51016  63.50608       
25.28076  40.17270       19.64102  75.96447 16.81032 60.55153 15.78819 
15.41294       23.06195 
1 1 1 13  6  7  o 204.1696 5.189062 425.9000       21.54425  422.3748       
31.14146  429.1360       29.83675  202.7757 7.552167 204.4937 7.174973 
-1.717972      10.41708 
1 1 1 13  6  8  o 144.2995 7.729876 214.8205       22.59996  197.8351       
46.05050  220.2094       25.93844  134.6881 17.20655 145.7967 8.789824 
-11.10863      19.32166 
1 1 1 13  6  9  o 41.68482 14.89637 16.28950       15.97453  16.76147       
23.58017  15.88916       21.71742  46.07638 17.77565 44.58488 17.09534 
1.491501       24.66220 
1 1 1 13  6  10 o 62.05587 16.60721 43.34450       21.37008  36.37751       
25.31213  60.63403       39.87473  57.61251 18.79879 72.17193 23.59690 
-14.55942      30.16965 
1 1 1 13  6  11 o 173.7562 5.677251 310.1615       20.05995  256.4845       
28.77999  360.8786       27.97523  156.5173 9.081298 186.7702 7.365709 
-30.25294      11.69289 
1 1 1 13  6  12 o 76.15127 9.782858 62.27758       14.79905  68.98214       
22.11980  56.84466       19.91191  77.93233 14.49101 70.65123 14.34903 
7.281105       20.39324 
1 1 1 13  6  13 o 31.85167 12.94976 6.419293       13.14475  19.08225       
20.78756  -2.017419      16.96769  43.54812 16.71884 30.73440 13.63298 
12.81372       21.57261 
1 1 1 13  7  0  o 198.0189 5.147072 399.5008       20.72614  388.7327       
37.04720  404.4064       25.00551  194.8777 9.348495 199.1422 6.174772 
-4.264496      11.20367 
1 1 1 13  7  1  o 329.6716 4.994634 1107.487       33.48395  1210.782       
61.57062  1064.108       39.90006  343.9090 8.803969 322.9808 6.074987 
20.92822       10.69651 
1 1 1 13  7  2  o 375.6467 4.584778 1437.818       35.02268  1489.280       
71.13477  1421.353       40.23738  381.0944 9.179054 373.3563 5.299743 
7.738129       10.59917 
1 1 1 13  7  3  o 278.0662 5.697247 789.1155       32.21549  778.9613       
38.41838  813.1685       59.12894  276.0434 6.844005 281.0709 10.34506 
-5.027466      12.40406 
1 1 1 13  7  4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 13  7  5  o 201.7194 4.957022 415.1998       20.33386  392.0737       
29.48352  436.1773       28.08060  195.5935 7.412650 206.4527 6.688588 
-10.85913      9.984217 
1 1 1 13  7  6  o 182.8447 5.810322 341.7957       21.60399  344.2318       
35.81712  340.4026       27.08595  182.3631 9.693144 182.1815 7.311196 
0.1816101      12.14128 
1 1 1 13  7  7  o 86.11889 9.012874 77.32463       15.55004  84.44479       
23.74178  71.97559       20.57813  88.72713 13.59144 82.04230 12.74818 
6.684837       18.63447 
1 1 1 13  7  8  o 237.2877 5.947149 576.5807       28.69693  584.9467       
58.31826  573.9078       32.96402  236.0542 12.19064 236.4618 6.855321 
-0.4076080     13.98596 
1 1 1 13  7  9  o 40.90941 14.77497 15.38137       15.75885  4.556914       
23.27324  24.54653       21.41528  40.03176 16.83539 49.53632 17.28835 
-9.504562      24.13125 
1 1 1 13  7  10 o 130.8406 8.924301 178.4170       23.60307  206.5449       
28.42160  115.9067       42.36968  140.3857 10.02161 99.45245 21.57100 
40.93324       23.78531 
1 1 1 13  7  11 o 158.0838 6.034599 257.1519       19.39936  285.0501       
28.89238  234.2498       26.17773  165.2073 8.630034 149.7215 8.634615 
15.48586       12.20795 
1 1 1 13  7  12 o 25.90702 11.80070 -6.900603      13.69689  -0.6435735     
19.55767  -12.92351      19.18828  33.95700 14.86455 29.20043 13.54144 
4.756567       20.10784 
1 1 1 13  7  13 o 75.24613 11.38173 63.19562       16.87177  67.34745       
19.33915  49.96793       34.51910  76.84396 12.82812 61.08579 21.89034 
15.75817       25.37218 
1 1 1 13  8  0  o 351.5084 4.362600 1258.201       31.18405  1161.956       
42.24187  1373.474       46.22918  337.5443 6.154050 366.9758 6.194801 
-29.43152      8.732004 
1 1 1 13  8  1  o 113.3771 6.634984 131.6671       15.23069  126.7673       
28.21559  133.6819       18.09311  110.1233 12.84077 114.0784 7.847072 
-3.955154      15.04865 
1 1 1 13  8  2  o 260.1777 4.354133 689.6338       23.03685  748.2668       
46.30410  670.3473       26.55676  270.2824 8.424620 256.4208 5.092963 
13.86160       9.844414 
1 1 1 13  8  3  o 104.0214 9.183810 111.9535       19.22712  87.58307       
22.16178  186.1272       38.66320  91.23283 12.25535 132.9158 14.54161 
-41.68302      19.01715 
1 1 1 13  8  4  o 212.3203 6.704533 461.0843       28.94753  0.000000       
0.000000  461.0843       28.94753  ?        ?        212.3203 6.704533 
0.000000       6.704533 
1 1 1 13  8  5  o 153.5608 7.610086 241.8149       23.76410  0.000000       
0.000000  241.8149       23.76410  ?        ?        153.5608 7.610086 
0.000000       7.610086 
1 1 1 13  8  6  o 49.74197 14.58535 26.56996       15.71024  3.886664       
25.76345  39.99744       19.82203  41.86330 17.66506 60.37125 15.91877 
-18.50795      23.77944 
1 1 1 13  8  7  o 169.1168 5.673758 292.5510       19.51232  281.5085       
29.19381  301.4667       26.23232  164.9996 8.731825 171.2844 7.531259 
-6.284790      11.53103 
1 1 1 13  8  8  o 84.02457 9.343755 73.91719       15.69499  70.24450       
22.92043  77.15971       21.53630  80.29185 14.57461 84.81840 12.89210 
-4.526543      19.45830 
1 1 1 13  8  9  f 91.42064 9.522522 87.58138       17.44322  112.6276       
26.18742  67.60650       23.38640  102.6656 12.82307 78.36102 15.22475 
24.30455       19.90538 
1 1 1 13  8  10 o 118.2160 9.272061 146.1589       22.11093  134.8959       
26.12871  174.5694       41.49821  112.6727 11.56791 125.6456 16.65192 
-12.97295      20.27568 
1 1 1 13  8  11 o 126.0278 6.889430 164.5631       17.58948  160.5917       
25.50607  168.1646       24.28908  123.0992 10.28329 126.3454 9.523687 
-3.246231      14.01595 
1 1 1 13  8  12 o 37.86504 13.76617 13.95515       13.71313  6.291202       
19.77600  21.05329       19.03199  37.11791 15.55971 44.94764 16.23647 
-7.829727      22.48839 
1 1 1 13  8  13 o 33.70938 14.03332 6.195326       15.92607  1.126530       
18.21150  22.67395       32.83627  32.96423 14.38912 48.86382 20.23015 
-15.89959      24.82551 
1 1 1 13  9  0  o 140.0198 4.876039 199.7353       13.88379  190.2144       
19.01032  210.6185       20.32483  136.3377 6.879003 143.6377 6.958361 
-7.300003      9.784655 
1 1 1 13  9  1  o 92.55428 7.813591 88.21391       14.56867  83.50782       
26.32875  90.29070       17.49029  88.50198 15.17561 93.39763 9.333935 
-4.895653      17.81633 
1 1 1 13  9  2  o 371.8234 4.562625 1408.855       34.49872  1413.079       
68.91380  1407.442       39.85182  371.1367 9.131053 371.4972 5.275227 
-0.3605042     10.54534 
1 1 1 13  9  3  o 139.5745 7.253974 199.8724       20.51795  182.8966       
23.85931  248.0687       40.20219  133.1991 8.859093 154.1235 12.94708 
-20.92448      15.68791 
1 1 1 13  9  4  o 91.82023 8.146287 87.15535       15.05276  77.83886       
22.75574  94.40365       20.07164  85.47005 13.54418 95.08297 10.55907 
-9.612923      17.17378 
1 1 1 13  9  5  o 136.0525 9.637059 191.7654       26.49007  191.7654       
26.49007  0.000000       0.000000  136.0525 9.637059 ?        ?        
0.000000       9.637059 
1 1 1 13  9  6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 13  9  7  o 143.1055 6.405180 209.8587       18.63971  249.7450       
30.62513  186.3888       23.49210  155.0280 9.764299 134.1691 8.656473 
20.85890       13.04899 
1 1 1 13  9  8  o 93.00813 8.693642 90.08300       16.25204  116.0130       
23.77898  67.35282       22.26350  104.8595 11.33170 78.59400 14.46298 
26.26546       18.37349 
1 1 1 13  9  9  o 170.1435 6.741133 297.4115       23.32382  288.1492       
31.01534  309.4672       35.38456  166.4968 9.196153 172.1573 10.15227 
-5.660538      13.69809 
1 1 1 13  9  10 o 49.77442 14.88463 27.19468       16.23229  30.89587       
23.59532  23.86916       22.36583  53.72707 18.16769 49.08577 17.61717 
4.641300       25.30671 
1 1 1 13  9  11 o 84.29572 12.87301 77.86174       21.36688  0.000000       
0.000000  77.86174       21.36688  ?        ?        84.29572 12.87301 
0.000000       12.87301 
1 1 1 13  9  12 o 35.87464 13.66714 11.20300       13.82490  -18.07866      
20.82611  34.27211       18.48526  29.04792 13.67602 54.08114 15.81074 
-25.03322      20.90486 
1 1 1 13  9  13 f 89.65206 8.222963 85.95641       14.82426  88.16161       
16.39446  76.07024       34.71251  90.34655 9.044987 74.02534 21.67325 
16.32121       23.48493 
1 1 1 13  10 0  o 302.3209 5.936881 932.1331       36.49874  0.000000       
0.000000  932.1331       36.49874  ?        ?        302.3209 5.936881 
0.000000       5.936881 
1 1 1 13  10 1  o 115.9248 6.645013 137.6755       15.59940  127.2120       
27.48807  142.6461       18.94567  110.3462 12.46871 117.8169 7.954298 
-7.470703      14.78985 
1 1 1 13  10 2  o 92.98011 6.760192 88.80964       12.69458  86.91836       
23.63090  89.57684       15.05072  90.69154 13.20066 93.19088 8.020178 
-2.499344      15.44606 
1 1 1 13  10 3  o 85.43710 8.401811 75.57720       14.40847  44.56227       
21.85900  99.40601       19.16002  63.92522 16.64996 97.82546 9.761831 
-33.90024      19.30063 
1 1 1 13  10 4  o 83.02987 8.898638 71.65144       14.79071  67.50320       
22.67621  74.72305       19.51287  79.15103 14.62723 84.16443 11.71893 
-5.013397      18.74271 
1 1 1 13  10 5  o 145.6969 6.257527 217.1505       18.53977  236.7528       
32.40424  207.6112       22.60518  150.9190 10.62644 142.0020 7.858782 
8.916992       13.21672 
1 1 1 13  10 6  o 122.5781 6.792933 154.4683       16.86633  149.0789       
24.89464  159.0412       22.93132  119.5510 10.34189 123.8339 9.171431 
-4.282921      13.82280 
1 1 1 13  10 7  o 318.7316 5.674506 1039.439       36.77940  1126.546       
75.60917  1012.438       42.09549  328.7738 11.30904 314.2227 6.587893 
14.55109       13.08796 
1 1 1 13  10 8  o 244.0968 4.980715 609.0269       24.72322  585.7615       
36.31732  629.1207       33.75136  238.6005 7.484986 247.5627 6.704318 
-8.962250      10.04853 
1 1 1 13  10 9  o 158.8334 7.018765 259.4863       22.67013  271.4425       
30.79147  245.3339       33.50036  161.4549 9.419273 152.8786 10.84625 
8.576294       14.36537 
1 1 1 13  10 10 o 159.7105 8.512324 265.3605       27.54631  0.000000       
0.000000  265.3605       27.54631  ?        ?        159.7105 8.512324 
0.000000       8.512324 
1 1 1 13  10 11 o 66.33237 12.01826 48.31781       15.61442  34.51477       
22.85089  60.40793       21.38607  55.11754 17.85404 73.08667 14.89477 
-17.96913      23.25126 
1 1 1 13  10 12 o 41.82011 16.28820 15.57687       19.94589  13.00709       
24.54753  20.57025       34.21821  42.79736 17.58163 49.91375 20.65706 
-7.116383      27.12614 
1 1 1 13  10 13 o 18.85248 9.333056 -28.22158      13.32810  -17.25761      
14.73356  -77.60384      31.26866  23.06766 11.04238 26.35449 13.23581 
-3.286839      17.23719 
1 1 1 13  11 0  o 100.6484 7.040509 103.9606       14.31918  104.2684       
26.35182  103.8316       17.05713  99.62604 13.34240 100.3839 8.434015 
-0.7578354     15.78456 
1 1 1 13  11 1  o 219.4344 4.374365 490.5481       19.51961  433.3783       
36.33895  513.7332       23.14164  205.6598 8.689034 224.4849 5.069390 
-18.82504      10.05972 
1 1 1 13  11 2  o 134.7636 5.504649 185.3047       15.08529  190.8628       
29.33637  183.3067       17.58890  135.7043 10.71793 133.9471 6.457342 
1.757141       12.51284 
1 1 1 13  11 3  o 178.0974 5.143640 323.6115       18.62857  327.8533       
28.65423  320.5062       24.51660  178.8497 7.878600 177.0130 6.810886 
1.836716       10.41444 
1 1 1 13  11 4  o 163.5287 6.730843 273.6712       22.38282  258.6172       
27.05352  306.3341       39.84965  158.4601 8.425893 171.5920 11.48659 
-13.13188      14.24561 
1 1 1 13  11 5  o 71.28691 10.49986 53.64359       14.76519  55.06252       
24.23177  52.80564       18.62140  70.61554 17.06454 69.93031 13.58427 
0.6852264      21.81126 
1 1 1 13  11 6  o 189.4864 5.154945 366.8216       19.86340  365.2039       
29.62280  368.1431       26.77477  188.5080 7.727607 189.4582 6.949618 
-0.9502411     10.39293 
1 1 1 13  11 7  o 337.4715 11.61586 1189.310       79.71499  1189.310       
79.71499  0.000000       0.000000  337.4715 11.61586 ?        ?        
0.000000       11.61586 
1 1 1 13  11 8  o 96.16996 8.657442 96.30295       16.74944  62.11691       
25.44485  122.4429       22.24990  74.46387 17.15655 108.0581 10.24812 
-33.59425      19.98428 
1 1 1 13  11 9  o 141.0447 11.40623 209.8692       32.43523  0.000000       
0.000000  209.8692       32.43523  ?        ?        141.0447 11.40623 
0.000000       11.40623 
1 1 1 13  11 10 o 82.20065 10.12476 71.72469       16.56658  72.16805       
25.05955  71.38052       22.07970  80.14999 15.93626 80.53624 13.98947 
-0.3862534     21.20542 
1 1 1 13  11 11 o 115.1644 7.401085 138.1940       17.24087  111.4818       
25.14775  161.8843       23.68269  101.1231 12.49496 123.7530 9.482892 
-22.62987      15.68596 
1 1 1 13  11 12 o 34.13203 15.08413 -1.442836      20.58558  -4.631006      
25.35540  4.722623       35.26001  36.39877 16.36819 44.82756 19.77966 
-8.428795      25.67397 
1 1 1 13  11 13 o 45.50591 14.04049 24.50557       14.29047  8.818480       
15.72163  99.09024       34.28083  34.78861 14.15515 86.26799 19.94049 
-51.47938      24.45386 
1 1 1 13  12 0  o 152.3706 5.426954 236.7220       16.81546  249.0415       
31.01662  231.5938       20.01159  155.4823 9.860880 150.6166 6.533673 
4.865738       11.82903 
1 1 1 13  12 1  o 96.62069 6.560143 95.79227       12.81310  81.73262       
25.39637  100.5931       14.84033  87.51475 14.79807 98.89881 7.433434 
-11.38406      16.56015 
1 1 1 13  12 2  o 100.0794 6.767655 102.8605       13.69224  81.64128       
23.67972  113.5184       16.78225  87.63655 13.73904 104.9752 7.919934 
-17.33865      15.85833 
1 1 1 13  12 3  o 207.2971 4.948979 438.3629       20.86221  461.1316       
36.65063  427.4496       25.37405  211.9352 8.504072 204.5263 6.100835 
7.408920       10.46611 
1 1 1 13  12 4  o 133.2855 7.669213 182.7944       20.69900  207.6626       
25.61472  135.9943       35.13911  141.8034 8.928421 112.6195 15.77652 
29.18394       18.12775 
1 1 1 13  12 5  o 98.94832 13.52861 104.2723       26.50841  104.2723       
26.50841  0.000000       0.000000  98.94832 13.52861 ?        ?        
0.000000       13.52861 
1 1 1 13  12 6  o 262.1161 7.254122 705.4179       38.66607  705.4179       
38.66607  0.000000       0.000000  262.1161 7.254122 ?        ?        
0.000000       7.254122 
1 1 1 13  12 7  o 165.2814 9.191481 283.4239       30.77098  283.4239       
30.77098  0.000000       0.000000  165.2814 9.191481 ?        ?        
0.000000       9.191481 
1 1 1 13  12 8  o 142.7630 6.277637 209.0516       18.22483  250.4011       
28.44581  180.2604       23.73633  155.2695 9.048301 131.7012 8.915342 
23.56830       12.70256 
1 1 1 13  12 9  o 177.2395 6.432909 322.7195       23.18565  314.9563       
30.07565  334.0917       36.40148  174.4358 8.478675 178.7553 10.05486 
-4.319519      13.15250 
1 1 1 13  12 10 o 44.08081 14.98794 20.09872       16.05957  13.27063       
25.13573  24.80868       20.87616  44.56988 17.98279 48.91999 17.06957 
-4.350117      24.79418 
1 1 1 13  12 11 o 54.21898 14.14888 33.43010       15.76543  21.51900       
22.32233  45.28451       22.26915  46.80454 17.46751 62.10874 17.09334 
-15.30420      24.43964 
1 1 1 13  12 12 o 102.4913 10.93219 114.8226       22.43321  133.3439       
28.00632  81.66480       37.47255  109.1164 12.86919 77.73421 22.44966 
31.38223       25.87669 
1 1 1 13  12 13 o 29.42772 13.42943 -6.326430      17.84368  -6.723250      
21.49073  -5.445689      32.01684  32.12494 14.69046 38.82093 17.81783 
-6.695995      23.09296 
1 1 1 13  13 0  o 80.54960 7.468997 66.89790       12.09507  97.86406       
23.25198  55.41090       14.16184  96.68304 12.09093 72.83514 9.811132 
23.84790       15.57077 
1 1 1 13  13 1  o 78.86960 8.077968 64.36172       12.77297  60.17196       
25.07533  65.82977       14.84299  74.32969 16.96359 79.54275 9.355079 
-5.213058      19.37216 
1 1 1 13  13 2  o 85.96438 8.133945 76.42136       14.05003  59.46325       
25.41895  83.88167       16.85961  73.70162 17.26312 89.86425 9.363420 
-16.16263      19.63896 
1 1 1 13  13 3  o 43.31584 12.60291 19.90086       11.77039  -17.80536      
23.61825  32.36008       13.57647  32.73454 15.12489 54.77219 12.46895 
-22.03765      19.60196 
1 1 1 13  13 4  o 145.6019 7.211045 217.2815       21.35093  213.4487       
26.59828  224.2258       35.80217  143.6848 9.150771 146.3809 12.13693 
-2.696045      15.20006 
1 1 1 13  13 5  o 46.06337 13.68606 22.62676       13.75628  17.96511       
22.16972  25.54526       17.54163  46.28475 17.38127 49.29344 15.60920 
-3.008686      23.36141 
1 1 1 13  13 6  o 67.39125 11.44566 48.55226       15.12435  43.35627       
24.02251  51.96438       19.46688  62.52453 17.95088 68.96185 14.34862 
-6.437313      22.98080 
1 1 1 13  13 7  o 303.2093 6.362403 942.8072       39.22972  0.000000       
0.000000  942.8072       39.22972  ?        ?        303.2093 6.362403 
0.000000       6.362403 
1 1 1 13  13 8  o 86.67247 9.358478 78.75901       16.23268  54.58047       
25.23503  95.82551       21.20124  69.49819 17.78265 95.13438 11.17167 
-25.63618      21.00069 
1 1 1 13  13 9  o 56.43926 13.92541 35.29474       15.88402  32.95004       
23.43146  37.28837       21.60619  55.08471 18.09244 57.74149 17.15124 
-2.656784      24.92994 
1 1 1 13  13 10 o 40.70494 14.86101 15.52174       16.00530  29.31991       
24.64567  5.458328       21.04760  52.63404 18.53531 38.29187 16.05201 
14.34217       24.51988 
1 1 1 13  13 11 o 214.8536 11.83228 498.1674       51.49740  0.000000       
0.000000  498.1674       51.49740  ?        ?        214.8536 11.83228 
0.000000       11.83228 
1 1 1 13  13 12 o 53.98375 13.66039 33.98660       15.00840  15.77249       
16.50918  120.7237       36.02666  39.98499 15.00229 98.66798 18.63854 
-58.68299      23.92621 
1 1 1 13  13 13 o 36.55174 15.04337 10.00416       18.01223  30.25885       
21.99269  -31.26378      31.39222  49.27555 17.49241 32.66558 15.75993 
16.60997       23.54484 
1 1 1 13  14 0  o 172.8219 4.738456 304.4039       16.65279  310.5540       
32.98730  302.3005       19.29143  173.7140 9.372831 172.1518 5.510633 
1.562210       10.87277 
1 1 1 13  14 1  o 29.60838 12.09232 3.437650       11.52724  3.533386       
22.22007  3.402398       13.48357  39.35527 16.49518 31.59808 13.01139 
7.757183       21.00922 
1 1 1 13  14 2  o 281.0397 4.833800 805.5428       27.62535  785.0254       
48.44231  815.4310       33.62978  276.5178 8.614902 282.5578 5.852822 
-6.040039      10.41499 
1 1 1 13  14 3  o 88.59449 7.109655 80.89566       12.70085  75.63132       
26.38297  82.48370       14.49043  83.40210 16.13935 89.29467 8.067141 
-5.892570      18.04321 
1 1 1 13  14 4  o 138.3546 8.288548 197.4520       23.21231  212.5064       
30.86222  177.8432       35.22259  142.8858 10.69919 129.7168 13.55297 
13.16907       17.26718 
1 1 1 13  14 5  o 178.7760 5.249188 326.5683       19.08327  307.4799       
29.42596  340.4237       25.07001  172.8196 8.373098 182.2342 6.765087 
-9.414536      10.76453 
1 1 1 13  14 6  o 135.3771 7.621469 189.0789       20.89608  246.4271       
57.83810  180.4697       22.40974  149.1273 19.54277 132.0467 8.389137 
17.08060       21.26729 
1 1 1 13  14 7  o 81.67435 9.715515 70.13325       15.81968  77.60670       
25.38095  65.38540       20.23000  84.07109 15.41405 77.74200 13.27289 
6.329094       20.34116 
1 1 1 13  14 8  o 146.4911 6.403497 220.3109       19.07567  209.5355       
29.70879  227.8696       24.88248  141.4024 10.40491 148.2844 8.284897 
-6.881927      13.30044 
1 1 1 13  14 9  o 155.7122 6.085327 249.0076       19.26895  260.1317       
29.17380  240.3996       25.66330  157.9298 9.122857 152.1237 8.327527 
5.806091       12.35209 
1 1 1 13  14 10 o 112.6994 7.892676 132.4569       17.97411  107.3380       
27.27861  151.7304       23.89466  98.76766 13.97163 119.8272 9.894556 
-21.05954      17.12042 
1 1 1 13  14 11 o 104.0530 9.646496 115.4799       20.17942  127.3864       
24.45148  90.05096       35.73363  108.4404 11.25204 84.83542 20.85924 
23.60498       23.70055 
1 1 1 13  14 12 o 44.01271 14.17464 22.22642       14.41880  14.88109       
16.05423  52.86878       32.79028  39.05884 14.76424 62.79789 21.41614 
-23.73905      26.01218 
1 1 1 13  14 13 o 29.15548 13.42722 -7.885144      18.39387  -14.10176      
22.14464  5.947745       33.03300  30.19867 14.18128 41.91553 18.77821 
-11.71686      23.53146 
1 1 1 13  15 0  o 207.5415 4.394359 438.9050       18.54607  342.2917       
34.94207  476.7968       21.88280  182.3300 9.456549 216.2489 4.976195 
-33.91888      10.68592 
1 1 1 13  15 1  o 322.0302 4.331010 1056.883       28.36202  951.0515       
53.42389  1098.416       33.46777  304.4308 8.629695 328.1666 5.015116 
-23.73575      9.981133 
1 1 1 13  15 2  o 135.1095 5.641765 186.4193       15.50073  164.0817       
26.25007  198.3782       19.20699  125.7008 10.36164 139.2406 6.783315 
-13.53982      12.38454 
1 1 1 13  15 3  o 117.1995 5.905508 140.7468       14.02934  184.4532       
29.70542  128.1993       15.91625  133.0252 11.08204 111.6525 7.046191 
21.37277       13.13242 
1 1 1 13  15 4  o 89.58743 8.179851 83.17841       14.73761  67.07075       
25.45698  91.29829       18.07446  78.11238 16.54135 93.56382 9.637525 
-15.45144      19.14414 
1 1 1 13  15 5  o 97.06543 7.937687 97.54295       15.53079  80.28648       
24.61237  108.9603       20.01983  86.12350 14.57321 102.1782 9.753431 
-16.05468      17.53590 
1 1 1 13  15 6  o 141.1412 7.354432 205.3559       21.03531  246.2252       
57.80786  199.1185       22.58353  148.8548 19.57178 138.7917 8.035986 
10.06313       21.15731 
1 1 1 13  15 7  o 218.0194 6.632438 488.0953       29.40491  0.000000       
0.000000  488.0953       29.40491  ?        ?        218.0194 6.632438 
0.000000       6.632438 
1 1 1 13  15 8  o 50.49532 18.68781 23.84365       25.44493  23.84365       
25.44493  0.000000       0.000000  50.49532 18.68781 ?        ?        
0.000000       18.68781 
1 1 1 13  15 9  o 179.4455 5.598228 330.3270       20.42841  314.8848       
30.60838  342.7306       27.43215  174.1386 8.643585 182.1807 7.404675 
-8.042145      11.38160 
1 1 1 13  15 10 o 105.8762 8.279014 117.4187       17.68308  145.8901       
27.35357  96.97724       23.17739  116.4716 11.70751 94.45328 12.36373 
22.01833       17.02726 
1 1 1 13  15 11 o 99.26288 10.36605 106.2147       20.61565  105.9598       
24.98534  106.7584       36.48965  97.68122 12.89343 92.97991 19.89975 
4.701309       23.71161 
1 1 1 13  15 12 o 77.12213 9.951510 65.18419       15.24292  51.65489       
16.75973  129.9421       36.66704  67.00471 12.76629 101.7467 18.39889 
-34.74200      22.39413 
1 1 1 13  15 13 o 81.24422 9.215996 72.58893       14.95663  53.82011       
16.56628  155.3350       34.78406  67.75350 12.48377 112.1589 15.67958 
-44.40538      20.04230 
1 1 1 13  16 0  o 218.1418 4.322440 484.9113       19.17429  446.0190       
37.65417  498.5269       22.27921  208.4679 8.882237 221.1062 4.955043 
-12.63823      10.17087 
1 1 1 13  16 1  o 304.0281 4.309377 942.1196       26.64278  873.0451       
51.81755  966.9431       31.06338  291.5693 8.739441 307.8856 4.961442 
-16.31625      10.04956 
1 1 1 13  16 2  o 220.9967 4.309058 497.9138       19.36509  446.1804       
37.29884  517.0049       22.65823  208.3200 8.804667 225.0976 4.949983 
-16.77760      10.10072 
1 1 1 13  16 3  o 96.67204 7.228635 96.32754       14.10764  77.20504       
24.20534  106.1650       17.36126  84.64180 14.58970 101.2600 8.510166 
-16.61819      16.89030 
1 1 1 13  16 4  o 161.5174 5.767179 266.7949       18.94237  289.7599       
32.89704  255.4040       23.16868  167.1707 9.719049 157.7731 7.221324 
9.397537       12.10816 
1 1 1 13  16 5  o 135.6318 7.822298 189.8783       21.48328  159.0072       
26.97298  243.4401       35.52880  123.1960 10.87841 152.3627 11.55300 
-29.16669      15.86857 
1 1 1 13  16 6  o 399.1260 5.849152 1631.661       47.47384  1704.618       
99.18886  1609.982       54.06909  403.1459 12.09899 396.0058 6.714228 
7.140137       13.83714 
1 1 1 13  16 7  o 155.2598 9.349457 250.9455       29.38099  250.9455       
29.38099  0.000000       0.000000  155.2598 9.349457 ?        ?        
0.000000       9.349457 
1 1 1 13  16 8  o 80.70870 10.30373 69.02438       16.52499  106.0949       
26.52600  45.51265       21.12514  99.08523 13.51741 63.60664 16.26760 
35.47858       21.15077 
1 1 1 13  16 9  o 60.79947 12.94049 40.80117       15.50824  19.66589       
23.10048  58.14230       20.92453  46.79395 17.70500 72.17441 14.75475 
-25.38046      23.04711 
1 1 1 13  16 10 o 79.17838 12.15761 68.57532       18.94950  54.64063       
25.60382  85.45288       28.17805  67.92899 18.17759 86.14940 16.68728 
-18.22041      24.67570 
1 1 1 13  16 11 o 47.10376 17.16621 23.82681       21.34200  37.14542       
26.60608  -0.2077348     35.74121  55.74773 19.28051 43.80208 19.58450 
11.94564       27.48255 
1 1 1 13  16 12 o 69.31009 11.13018 53.96635       15.15646  44.94941       
16.76257  94.37095       35.48348  61.66229 13.72169 83.16079 20.98291 
-21.49850      25.07124 
1 1 1 13  17 0  o 138.9790 5.023421 197.0158       14.19712  169.3015       
28.09194  206.5224       16.45286  127.6333 10.92886 142.2288 5.688561 
-14.59548      12.32071 
1 1 1 13  17 1  o 127.0931 5.446538 164.9100       14.07648  178.0496       
26.39416  159.6873       16.64054  131.0652 9.978009 124.7765 6.581458 
6.288666       11.95309 
1 1 1 13  17 2  o 61.31341 9.576286 39.63828       11.54960  66.40271       
23.48100  31.09640       13.26520  78.20354 15.31317 53.64557 12.40703 
24.55798       19.70857 
1 1 1 13  17 3  o 202.6913 5.987869 420.2098       24.68078  490.5989       
39.42115  374.8320       31.65181  218.2378 8.882760 190.9538 8.151147 
27.28394       12.05590 
1 1 1 13  17 4  o 86.03883 7.856819 76.72933       13.59485  66.23514       
20.44630  85.04525       18.20101  78.47146 13.28724 90.08424 10.11014 
-11.61279      16.69627 
1 1 1 13  17 5  o 58.56275 15.65229 37.88557       18.99766  62.23338       
24.52891  1.386399       30.03238  74.84959 16.55445 43.55216 18.74558 
31.29742       25.00893 
1 1 1 13  17 6  o 59.95459 12.30303 39.05580       14.49698  43.81043       
24.36465  36.45004       18.03722  62.53493 18.11449 57.37586 15.21216 
5.159073       23.65470 
1 1 1 13  17 7  o 203.9113 6.737380 427.4029       27.93726  0.000000       
0.000000  427.4029       27.93726  ?        ?        203.9113 6.737380 
0.000000       6.737380 
1 1 1 13  17 8  o 130.4084 6.822067 175.5227       18.02857  175.9803       
29.19489  175.2407       22.92103  128.9603 11.24519 129.6897 8.742156 
-0.7293396     14.24358 
1 1 1 13  17 9  o 57.16145 13.52815 36.44008       15.48046  20.50949       
23.81790  48.09185       20.36965  47.43918 17.97093 65.11269 15.59042 
-17.67352      23.79108 
1 1 1 13  17 10 o 72.72730 13.04361 58.85841       18.58191  31.29009       
24.50184  96.18003       28.50847  53.02984 18.49317 91.77434 15.84868 
-38.74450      24.35525 
1 1 1 13  17 11 o 36.48656 15.67848 3.944328       20.94418  11.71226       
25.79908  -11.07096      35.86892  42.56723 17.80276 40.73960 18.75776 
1.827633       25.86101 
1 1 1 13  17 12 f 34.37120 13.65029 9.784568       14.24874  6.481571       
15.71708  25.02538       33.76149  33.39450 13.92483 48.99238 20.41705 
-15.59788      24.71350 
1 1 1 13  18 0  o 183.0912 4.960159 341.9702       18.46777  344.2796       
34.10686  341.0124       21.96658  182.7505 9.207219 182.7081 5.912256 
0.4235840E-01  10.94201 
1 1 1 13  18 1  o 202.6707 4.351806 418.7990       17.93543  416.4965       
36.85670  419.5135       20.53024  201.2014 9.008120 202.7569 4.979286 
-1.555527      10.29269 
1 1 1 13  18 2  o 149.1802 4.961905 227.1657       15.05258  195.3787       
29.79053  238.0635       17.44307  136.9577 10.78370 152.6323 5.619853 
-15.67459      12.16022 
1 1 1 13  18 3  o 51.10964 14.21645 28.32859       15.31358  28.22862       
24.66740  28.39127       19.53344  53.28463 18.55704 51.84611 16.47733 
1.438526       24.81665 
1 1 1 13  18 4  o 224.0289 4.677047 512.4564       21.30725  471.5036       
32.31569  543.9529       28.34018  214.2103 7.418594 230.4862 6.046529 
-16.27594      9.570582 
1 1 1 13  18 5  o 193.7978 8.546963 387.8336       33.68310  399.2876       
61.80034  382.9932       40.17469  192.4640 15.93359 191.6416 10.34722 
0.8223419      18.99853 
1 1 1 13  18 6  o 124.1881 6.773752 158.9466       17.04187  173.6901       
27.88642  150.1583       21.53001  128.5597 10.76597 120.1151 8.877346 
8.444611       13.95398 
1 1 1 13  18 7  o 110.2173 7.470369 125.7920       16.64451  100.5524       
26.95992  141.3376       21.15831  96.16713 14.21443 116.3954 9.009268 
-20.22830      16.82905 
1 1 1 13  18 8  o 95.95421 8.707839 96.33849       16.80623  85.16511       
27.81978  102.7596       21.08949  87.19202 16.28908 98.43530 10.70847 
-11.24328      19.49372 
1 1 1 13  18 9  o 91.62027 8.755520 88.29513       16.11407  80.98726       
24.90656  93.55635       21.13303  85.10479 14.93639 93.30500 11.37330 
-8.200211      18.77359 
1 1 1 13  18 10 o 177.8970 9.861320 336.2393       35.53467  0.000000       
0.000000  336.2393       35.53467  ?        ?        177.8970 9.861320 
0.000000       9.861320 
1 1 1 13  18 11 o 28.42391 12.89215 -5.985559      16.12754  -13.33258      
18.71106  15.24570       31.80757  28.26490 13.19614 46.22924 19.57425 
-17.96434      23.60698 
1 1 1 13  18 12 o 36.56802 15.25014 9.252343       18.85477  -15.53681      
22.67434  64.80919       33.94475  30.26790 14.25635 66.31493 21.77606 
-36.04703      26.02768 
1 1 1 13  19 0  f 183.2871 4.450544 342.5405       16.58809  371.6325       
33.80394  333.3132       19.03788  190.1467 8.742329 180.7111 5.180627 
9.435577       10.16205 
1 1 1 13  19 1  o 106.8497 5.928330 117.0673       12.83068  125.2241       
26.15857  114.4832       14.72348  109.1617 11.98097 105.5024 6.900745 
3.659302       13.82621 
1 1 1 13  19 2  o 117.4908 5.613179 141.0981       13.41109  147.7709       
25.63203  138.5828       15.73703  118.9604 10.71052 116.1217 6.692701 
2.838722       12.62963 
1 1 1 13  19 3  o 105.9014 6.331805 115.2737       13.57332  149.8007       
27.86665  104.5343       15.54155  119.3818 11.62631 100.5723 7.656657 
18.80943       13.92104 
1 1 1 13  19 4  o 74.31824 9.159613 57.92811       13.54984  50.87804       
21.14148  62.84290       17.65191  67.81451 15.64875 76.76351 11.67602 
-8.948997      19.52467 
1 1 1 13  19 5  o 61.53646 18.90059 42.13361       25.92946  49.96305       
54.15851  39.80523       29.53442  70.55992 27.01035 60.66381 20.32687 
9.896114       33.80445 
1 1 1 13  19 6  o 114.9258 7.244117 136.5228       16.84326  159.2100       
28.45874  124.2914       20.89606  122.6741 11.54382 108.9802 9.524678 
13.69389       14.96594 
1 1 1 13  19 7  o 52.36732 14.17174 30.33995       15.45916  0.2546252      
24.81066  49.43257       19.76485  39.16085 16.94619 66.61486 14.95684 
-27.45401      22.60266 
1 1 1 13  19 8  o 190.3017 5.524480 371.5599       21.37890  375.9377       
33.66955  368.6025       27.67342  190.1551 8.707191 188.9495 7.202208 
1.205551       11.29987 
1 1 1 13  19 9  o 78.32184 10.32322 65.75136       16.04117  70.42987       
25.10297  62.52244       20.85449  78.38317 16.28108 74.69981 14.24865 
3.683357       21.63556 
1 1 1 13  19 10 o 46.25274 15.50051 23.73283       17.17434  36.96856       
23.82010  9.403079       24.78499  55.86504 18.23670 41.56306 17.42092 
14.30198       25.22034 
1 1 1 13  19 11 o 60.18229 12.69401 41.75748       15.04645  44.24233       
17.04721  32.99649       32.00956  61.27493 13.98883 52.92465 20.62832 
8.350281       24.92418 
1 1 1 13  19 12 o 41.77853 15.81667 19.47873       18.44255  16.93307       
22.29452  24.99658       32.82333  41.57600 16.87939 47.76179 20.03493 
-6.185791      26.19756 
1 1 1 13  20 0  o 199.3577 4.285941 405.2260       17.37523  382.3338       
35.33392  412.5271       19.95455  192.7287 9.015588 201.0626 4.880442 
-8.333969      10.25181 
1 1 1 13  20 1  o 76.62716 7.387995 60.77692       11.36962  38.76572       
21.17617  69.69199       13.47684  59.51914 16.77532 81.94571 8.197395 
-22.42657      18.67106 
1 1 1 13  20 2  o 139.0161 5.769341 197.6575       16.30958  220.4475       
29.76476  187.8788       19.49714  145.5953 10.11598 135.1438 7.119640 
10.45148       12.37022 
1 1 1 13  20 3  f 150.5516 4.946389 231.5556       15.14346  219.1114       
30.23190  235.7239       17.49679  144.9591 10.32322 151.7880 5.668518 
-6.828873      11.77714 
1 1 1 13  20 4  o 21.99286 10.41867 -14.34685      12.43607  -28.75472      
19.86490  -5.060821      15.94782  26.14373 12.59395 29.57990 13.16414 
-3.436174      18.21819 
1 1 1 13  20 5  o 65.49619 11.19580 46.04382       14.37583  47.61232       
24.40008  45.20987       17.79168  64.93390 17.90139 64.06989 14.04312 
0.8640137      22.75234 
1 1 1 13  20 6  o 113.7331 7.298400 133.8222       16.79063  156.2779       
28.15411  121.4264       20.91770  121.4510 11.53817 107.6123 9.661677 
13.83868       15.04916 
1 1 1 13  20 7  o 80.04723 10.24240 68.00888       16.29013  69.37411       
26.56686  67.18629       20.62179  78.18896 17.17803 78.43227 13.41136 
-0.2433014     21.79333 
1 1 1 13  20 8  o 34.82841 14.13335 6.666075       15.62277  29.69919       
25.18177  -7.746700      19.91974  53.03360 18.72937 32.01293 14.44139 
21.02068       23.65043 
1 1 1 13  20 9  o 61.94401 12.83618 42.82113       15.63777  76.94444       
24.81375  20.34027       20.14064  82.24276 15.40296 45.32267 16.65186 
36.92009       22.68338 
1 1 1 13  20 10 o 42.33079 15.12582 18.78425       16.47008  29.17629       
22.59303  6.998308       24.06058  50.59066 17.75169 39.90462 16.96618 
10.68604       24.55552 
1 1 1 13  20 11 o 27.21122 12.27896 -4.381062      14.41340  7.951798       
16.28472  -48.98145      30.96832  34.72772 14.29954 29.78127 14.64461 
4.946453       20.46806 
1 1 1 13  20 12 o 31.39467 14.03274 -0.8249558     18.33493  -28.08641      
21.89840  63.09676       33.53221  26.47210 12.86406 63.98429 21.65786 
-37.51219      25.19022 
1 1 1 13  21 0  o 208.0854 4.199522 441.5092       17.77023  433.3904       
35.68252  444.1869       20.49217  205.2491 8.549150 208.6198 4.830376 
-3.370758      9.819394 
1 1 1 13  21 1  o 260.1453 4.222016 690.2338       22.33506  704.7514       
45.89373  685.7282       25.56709  261.5876 8.627497 259.1667 4.851217 
2.420868       9.897879 
1 1 1 13  21 2  o 149.4257 5.571257 228.3529       16.92895  209.9344       
30.21581  236.7796       20.43790  141.8434 10.55097 151.9771 6.613125 
-10.13367      12.45216 
1 1 1 13  21 3  o 132.0318 5.211112 178.2407       13.99138  147.7081       
28.12966  188.2774       16.12787  118.2860 11.85397 135.6001 5.848784 
-17.31411      13.21836 
1 1 1 13  21 4  o 233.6514 6.970922 561.2081       33.12150  503.1844       
64.51337  581.9765       38.59657  216.7625 14.72301 237.5289 7.990626 
-20.76634      16.75163 
1 1 1 13  21 5  o 67.58123 10.70735 48.81386       14.22447  63.79619       
24.05682  40.75994       17.63812  75.55835 16.14670 60.61749 14.50311 
14.94086       21.70383 
1 1 1 13  21 6  o 66.20620 18.47868 50.15690       25.82611  50.15690       
25.82611  0.000000       0.000000  66.20620 18.47868 ?        ?        
0.000000       18.47868 
1 1 1 13  21 7  o 31.61893 13.45355 1.405784       15.14995  -12.14275      
25.54437  8.757373       18.81653  35.35552 16.10876 38.48687 15.54826 
-3.131351      22.38840 
1 1 1 13  21 8  o 41.05836 14.54100 16.68427       15.18874  22.75583       
24.90273  13.08765       19.16655  48.91262 18.41104 40.85626 15.95180 
8.056362       24.36034 
1 1 1 13  21 9  o 47.45406 14.53659 25.33336       15.34960  74.76546       
26.02579  -1.032692      19.00737  80.13629 16.51976 33.44291 14.64635 
46.69339       22.07755 
1 1 1 13  21 10 o 119.8601 9.806019 154.6942       23.69188  171.2582       
30.76446  130.5541       37.13947  124.1903 12.34538 103.3044 18.35162 
20.88590       22.11765 
1 1 1 13  21 11 o 76.85103 9.886325 65.21967       15.09200  52.01139       
16.87235  118.0846       33.75486  66.70608 12.90485 96.22886 17.90868 
-29.52278      22.07388 
1 1 1 13  21 12 o 79.64987 10.78062 72.46105       17.01275  78.31973       
19.75030  55.61203       33.49355  81.58071 12.28626 59.40840 21.52708 
22.17231       24.78643 
1 1 1 13  22 0  o 122.8055 5.226756 154.0607       13.05273  198.2241       
28.81274  142.6568       14.64130  137.9969 10.34271 117.9139 6.127201 
20.08299       12.02140 
1 1 1 13  22 1  o 172.5125 5.070882 304.0345       17.78917  271.8976       
32.61312  317.6458       21.22466  161.7603 9.962931 176.1798 5.924246 
-14.41959      11.59123 
1 1 1 13  22 2  o 174.6161 4.602008 311.3377       16.34117  290.4970       
33.11684  318.0452       18.78770  167.1604 9.785023 176.3768 5.238185 
-9.216385      11.09889 
1 1 1 13  22 3  o 107.5802 6.030831 118.9783       13.14035  82.09552       
26.68471  130.7849       15.09774  86.37782 15.77300 112.6850 6.617661 
-26.30714      17.10500 
1 1 1 13  22 4  o 119.1489 9.455969 148.3038       22.72290  147.8383       
57.27857  148.3907       24.75410  110.1955 25.98375 118.8750 10.34321 
-8.679420      27.96672 
1 1 1 13  22 5  o 53.01154 13.24599 30.99421       14.23874  14.65618       
23.91137  39.97060       17.72375  44.88399 17.72796 59.91730 14.66514 
-15.03331      23.00754 
1 1 1 13  22 6  f 141.0305 8.066887 206.5099       23.03899  186.5304       
29.59080  237.2651       36.71333  132.8016 11.05777 149.2745 12.20113 
-16.47296      16.46638 
1 1 1 13  22 7  o 29.34414 12.95157 -3.145598      15.12869  -24.85034      
24.95942  9.459781       19.02108  31.36343 14.82868 38.91797 15.66407 
-7.554537      21.56972 
1 1 1 13  22 8  o 123.2453 6.993145 157.6841       17.45427  137.0374       
27.26642  172.0186       22.71923  112.5712 12.10104 127.9980 8.781592 
-15.42686      14.95164 
1 1 1 13  22 9  o 113.3960 9.833432 137.4366       22.45088  0.000000       
0.000000  137.4366       22.45088  ?        ?        113.3960 9.833432 
0.000000       9.833432 
1 1 1 13  22 10 o 39.39482 15.98333 12.08615       19.97618  15.72913       
25.44785  6.237228       32.24485  43.68348 17.91821 43.17866 18.98909 
0.5048180      26.10838 
1 1 1 13  22 11 o 54.37042 13.21790 35.43685       14.47222  29.87626       
16.11258  58.65073       32.92139  49.16696 14.85834 63.03462 21.45909 
-13.86766      26.10102 
1 1 1 13  23 0  o 187.2883 4.312249 357.8674       16.42351  373.1230       
35.62392  353.7498       18.50771  190.0893 9.215794 186.1173 4.890065 
3.971970       10.43281 
1 1 1 13  23 1  o 220.8748 4.740709 498.2362       21.29319  473.5539       
38.98228  508.7321       25.42055  214.1246 8.952600 222.9931 5.605858 
-8.868469      10.56289 
1 1 1 13  23 2  o 133.8465 5.070231 183.1551       13.80023  173.0848       
29.31572  186.0220       15.64174  128.2529 11.35788 134.7916 5.706512 
-6.538727      12.71085 
1 1 1 13  23 3  o 159.6740 4.798259 260.6286       15.58007  215.7584       
32.40405  274.1205       17.76869  143.1785 11.21912 163.6504 5.339333 
-20.47186      12.42486 
1 1 1 13  23 4  o 116.4254 9.736723 142.0443       22.84056  -6.895845      
55.91836  171.8699       25.02321  54.50529 24.42422 128.1620 9.672612 
-73.65671      26.26979 
1 1 1 13  23 5  o 60.85410 12.02905 40.36239       14.35818  -10.20258      
23.78823  69.34119       18.00850  34.63887 15.68936 80.48910 11.31489 
-45.85023      19.34381 
1 1 1 13  23 6  o 181.8251 10.89310 348.9033       40.09142  0.000000       
0.000000  348.9033       40.09142  ?        ?        181.8251 10.89310 
0.000000       10.89310 
1 1 1 13  23 7  o 129.6817 6.754416 174.0187       17.75062  164.8325       
28.23996  180.0186       22.82280  124.2836 11.29713 131.2049 8.601567 
-6.921326      14.19902 
1 1 1 13  23 8  o 105.0038 7.677432 115.3033       16.27988  100.0687       
25.39600  125.9310       21.21139  95.07233 13.51649 108.8949 9.679708 
-13.82253      16.62505 
1 1 1 13  23 9  o 21.73095 10.49451 -20.09513      14.00148  -44.24119      
22.68171  -5.229049      17.79717  24.99485 12.33705 30.45755 13.70329 
-5.462700      18.43863 
1 1 1 13  23 10 o 36.78970 15.36726 8.332940       19.18917  2.741681       
24.54083  17.13033       30.78303  37.63123 16.55735 45.79698 19.31634 
-8.165752      25.44144 
1 1 1 13  23 11 o 56.26052 21.01450 46.57612       32.32200  0.000000       
0.000000  46.57612       32.32200  ?        ?        56.26052 21.01450 
0.000000       21.01450 
1 1 1 13  24 0  o 234.3253 4.628815 560.6396       22.05670  588.3707       
42.60960  550.4888       25.77938  238.7561 8.776099 232.0031 5.464207 
6.752991       10.33816 
1 1 1 13  24 1  o 73.99200 7.447156 56.86486       11.05312  60.93621       
21.83719  55.46251       12.81612  74.49985 14.93421 72.74993 8.845071 
1.749916       17.35702 
1 1 1 13  24 2  o 90.77239 6.631929 85.05817       12.15706  73.46543       
26.18800  88.24272       13.72565  81.27778 16.40989 92.30326 7.374033 
-11.02548      17.99057 
1 1 1 13  24 3  o 106.8423 6.846130 117.8843       14.79615  0.000000       
0.000000  117.8843       14.79615  ?        ?        106.8423 6.846130 
0.000000       6.846130 
1 1 1 13  24 4  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 13  24 5  o 35.31458 13.72449 9.135684       14.13742  -10.26051      
23.61695  19.96754       17.64887  34.41916 15.60741 44.68680 15.68903 
-10.26764      22.13000 
1 1 1 13  24 6  f 208.7959 6.428872 448.9560       27.29657  368.1051       
33.87219  598.7294       46.10183  187.9944 8.860270 239.3523 9.471724 
-51.35791      12.96989 
1 1 1 13  24 7  o 44.66599 14.16893 21.71415       14.44890  19.08331       
23.62145  23.28700       18.26430  46.30472 17.81142 46.80686 15.98334 
-0.5021400     23.93144 
1 1 1 13  24 8  o 81.47752 9.669329 71.09411       15.70815  86.86116       
24.59379  60.23021       20.41471  87.78623 14.26664 72.79506 14.30096 
14.99117       20.20036 
1 1 1 13  24 9  o 140.3313 8.109667 208.1575       23.04380  0.000000       
0.000000  208.1575       23.04380  ?        ?        140.3313 8.109667 
0.000000       8.109667 
1 1 1 13  24 10 o 48.90881 15.48309 29.29211       17.26025  38.09230       
20.93502  10.61340       30.50006  54.66576 17.01508 42.81763 18.65766 
11.84813       25.25116 
1 1 1 13  24 11 o 90.98629 10.79593 94.38350       19.58530  85.28049       
23.35870  115.9316       35.93860  83.23209 14.31713 89.95190 20.14766 
-6.719818      24.71656 
1 1 1 13  25 0  o 166.8215 4.895071 284.3899       16.60591  345.1406       
34.13930  265.5614       19.00582  182.3875 9.234765 161.0406 5.803632 
21.34695       10.90702 
1 1 1 13  25 1  f 168.6426 4.370793 290.4236       14.98922  284.4730       
30.97569  292.2431       17.12815  165.4290 9.244831 169.0610 4.982136 
-3.632004      10.50184 
1 1 1 13  25 2  o 90.39378 6.468181 84.34819       11.81116  91.19817       
24.09766  82.18226       13.55043  91.92030 13.27654 88.97446 7.560846 
2.945839       15.27851 
1 1 1 13  25 3  o 125.9763 6.348681 163.4843       16.21160  0.000000       
0.000000  163.4843       16.21160  ?        ?        125.9763 6.348681 
0.000000       6.348681 
1 1 1 13  25 4  o 130.5991 6.004192 175.1934       15.94579  154.9343       
26.60462  186.5514       19.92033  120.9662 10.93355 134.2449 7.324730 
-13.27865      13.16032 
1 1 1 13  25 5  o 33.59141 13.54316 6.391376       14.24513  -18.68305      
24.34769  19.44183       17.56528  32.46959 15.12358 44.21218 15.63948 
-11.74260      21.75583 
1 1 1 13  25 6  f 120.7161 8.626479 152.5431       21.03680  148.7274       
26.75548  158.7217       34.04597  118.0002 11.28782 120.3196 14.18765 
-2.319382      18.13020 
1 1 1 13  25 7  o 73.29681 10.44810 57.91641       15.13229  56.70071       
25.92459  58.54467       18.63659  69.08916 18.19904 72.58564 13.10834 
-3.496475      22.42841 
1 1 1 13  25 8  o 53.94000 13.68201 33.39078       15.03052  53.90859       
25.23043  22.10325       18.71365  66.51136 18.14885 45.43893 16.13520 
21.07243       24.28426 
1 1 1 13  25 9  o 75.38143 9.852015 62.05763       14.74093  56.72746       
23.44243  65.54359       18.95803  67.67849 17.04336 75.84490 12.74375 
-8.166412      21.28096 
1 1 1 13  25 10 o 55.99345 14.54180 38.67686       16.70570  7.950831       
19.68387  117.8011       31.58728  36.25034 15.37645 96.67134 16.67014 
-60.42100      22.67881 
1 1 1 13  25 11 o 27.99538 12.91563 -6.449945      17.12629  -3.575340      
19.96885  -14.44602      33.30446  31.04519 14.18274 35.54905 16.90117 
-4.503855      22.06353 
1 1 1 13  26 0  o 248.2146 4.196701 628.9387       21.18297  650.4396       
45.01782  622.8243       24.00676  250.7177 8.829743 246.8585 4.782269 
3.859131       10.04164 
1 1 1 13  26 1  o 176.6704 4.370164 318.8351       15.70048  319.8250       
33.70374  318.5608       17.74327  175.2003 9.495467 176.4800 4.944094 
-1.279633      10.70551 
1 1 1 13  26 2  o 84.35783 8.086527 74.23495       13.70200  0.000000       
0.000000  74.23495       13.70200  ?        ?        84.35783 8.086527 
0.000000       8.086527 
1 1 1 13  26 3  o 171.8613 4.786734 302.2549       16.72895  279.6273       
36.02435  308.4760       18.88918  162.7792 10.94656 173.4812 5.354383 
-10.70193      12.18592 
1 1 1 13  26 4  o 98.91930 7.256618 101.5754       14.49525  63.97768       
23.63125  124.2547       18.35358  75.30660 15.92875 109.1180 8.334320 
-33.81137      17.97737 
1 1 1 13  26 5  o 66.10757 13.30971 48.39014       17.27343  52.13154       
25.62292  45.27332       23.38661  66.91494 18.30213 62.64770 17.61931 
4.267242       25.40488 
1 1 1 13  26 6  o 234.9746 4.981787 566.3945       23.80442  576.6299       
38.75434  560.1930       30.16577  235.3871 8.096293 233.0340 6.365664 
2.353149       10.29911 
1 1 1 13  26 7  o 45.14854 14.25869 22.62365       14.64503  60.77930       
25.18296  3.125385       18.00219  71.54016 17.46308 34.46757 14.66551 
37.07259       22.80431 
1 1 1 13  26 8  o 158.4718 7.345170 262.6436       23.67038  0.000000       
0.000000  262.6436       23.67038  ?        ?        158.4718 7.345170 
0.000000       7.345170 
1 1 1 13  26 9  o 52.91744 13.86198 33.37588       15.09500  20.32437       
26.28836  39.79596       18.43757  45.44598 18.37144 56.94590 15.50448 
-11.49991      24.03953 
1 1 1 13  26 10 o 58.21666 14.81587 42.65583       17.58380  44.13426       
21.02401  39.21418       32.07737  57.62278 16.86594 52.67442 20.61699 
4.948357       26.63682 
1 1 1 13  27 0  o 175.2336 4.317761 313.6421       15.38606  299.5553       
32.08217  317.8498       17.53404  169.6012 9.338130 176.2917 4.891011 
-6.690475      10.54147 
1 1 1 13  27 1  o 270.1197 4.181058 745.2860       22.96645  723.7414       
48.53102  751.5032       26.07046  263.9792 9.040621 271.0710 4.729490 
-7.091705      10.20298 
1 1 1 13  27 2  o 153.6020 5.413982 241.8691       16.91084  0.000000       
0.000000  241.8691       16.91084  ?        ?        153.6020 5.413982 
0.000000       5.413982 
1 1 1 13  27 3  o 159.7823 4.812405 261.3846       15.63660  244.1446       
33.76971  266.0897       17.64177  151.8708 11.00933 161.0739 5.385989 
-9.203125      12.25619 
1 1 1 13  27 4  o 118.2159 6.561605 144.4531       15.71185  106.5097       
27.11635  163.6304       19.27772  98.58921 13.91206 125.5032 7.589215 
-26.91400      15.84745 
1 1 1 13  27 5  o 54.11624 14.36857 33.01056       16.07726  31.87427       
23.02107  34.09239       22.46259  53.63243 17.94618 54.98137 17.69042 
-1.348942      25.19953 
1 1 1 13  27 6  o 37.02404 13.96716 11.96352       14.34940  16.84812       
24.15545  9.299818       17.83792  45.16567 17.82488 37.65335 15.16414 
7.512321       23.40251 
1 1 1 13  27 7  o 176.4230 6.955330 323.6852       24.95310  0.000000       
0.000000  323.6852       24.95310  ?        ?        176.4230 6.955330 
0.000000       6.955330 
1 1 1 13  27 8  o 54.82336 13.12440 34.81926       14.43741  23.35859       
23.83303  41.46280       18.14572  46.93823 17.92976 58.94822 15.07722 
-12.00999      23.42645 
1 1 1 13  27 9  o 107.5068 7.722821 123.4697       16.77103  105.3316       
31.03986  130.9479       19.93067  90.98779 17.41017 109.7950 9.005936 
-18.80718      19.60155 
1 1 1 13  27 10 f 33.01638 14.02303 6.578610       16.40606  1.453341       
19.49780  19.00602       30.36111  32.69271 14.55214 43.64425 18.81634 
-10.95154      23.78695 
1 1 1 13  28 0  o 53.03113 9.940957 30.22647       10.32651  75.27270       
24.67423  20.66102       11.37018  82.42791 15.28310 43.58776 12.29473 
38.84015       19.61463 
1 1 1 13  28 1  o 114.5939 5.608176 134.7052       13.06876  99.07308       
29.37955  143.4949       14.59190  94.39190 15.86897 118.0261 6.100558 
-23.63418      17.00120 
1 1 1 13  28 2  o 33.93207 12.82464 9.396217       12.11216  0.000000       
0.000000  9.396217       12.11216  ?        ?        33.93207 12.82464 
0.000000       12.82464 
1 1 1 13  28 3  o 41.52895 12.67085 18.62257       11.67666  47.41565       
26.21920  11.49906       13.04134  63.87048 18.87493 36.11187 13.37603 
27.75860       23.13398 
1 1 1 13  28 4  o 94.38426 7.679459 92.94759       14.61166  114.8888       
27.05103  83.90874       17.36243  102.6006 13.27668 88.94676 9.759405 
13.65385       16.47775 
1 1 1 13  28 5  o 33.92386 14.06571 4.977529       15.90761  8.839718       
23.22332  1.563499       21.83439  40.99764 16.99654 36.92564 15.93819 
4.072002       23.30040 
1 1 1 13  28 6  o 85.42544 8.998406 77.53603       15.39652  70.98158       
26.42728  80.90386       18.94351  77.55504 17.20675 86.37717 11.03710 
-8.822136      20.44236 
1 1 1 13  28 7  o 41.04056 14.15075 18.08382       14.32659  10.05254       
23.17159  23.05389       18.22824  40.60945 16.91828 45.69612 15.95002 
-5.086670      23.25148 
1 1 1 13  28 8  o 112.5972 7.012839 133.5661       15.97762  108.2966       
25.47545  149.9509       20.51367  97.13923 13.24162 118.3204 8.584165 
-21.18114      15.78063 
1 1 1 13  28 9  o 50.42045 13.11358 30.73144       13.57238  4.252710       
22.75310  45.35730       16.91035  36.19542 15.93385 60.93072 13.94882 
-24.73530      21.17681 
1 1 1 13  28 10 o 39.08934 16.41319 14.93731       22.06418  14.36913       
33.32146  15.38095       29.44397  42.11394 18.86406 41.42270 18.18290 
0.6912346      26.20058 
1 1 1 13  29 0  o 28.51427 12.19012 0.4536525      12.54520  -11.81479      
22.84204  5.752648       15.01195  33.28451 15.19139 33.90027 13.81715 
-0.6157608     20.53514 
1 1 1 13  29 1  o 235.6788 4.789453 568.6861       22.95397  0.000000       
0.000000  568.6861       22.95397  ?        ?        235.6788 4.789453 
0.000000       4.789453 
1 1 1 13  29 2  o 83.24106 7.183373 72.11961       12.04045  99.38451       
25.01209  63.89573       13.73682  95.47305 13.23936 77.84469 8.834165 
17.62836       15.91613 
1 1 1 13  29 3  f 153.8859 4.920755 242.7446       15.39863  257.6658       
33.38669  238.7128       17.35476  155.9507 10.59049 152.4209 5.599159 
3.529831       11.97953 
1 1 1 13  29 4  o 108.0880 6.959012 121.3455       15.21466  100.9829       
26.76645  131.0652       18.49274  95.40900 14.23117 111.9086 8.182915 
-16.49960      16.41604 
1 1 1 13  29 5  o 41.05565 14.98240 16.39635       16.26525  18.25901       
25.50429  15.11941       21.11694  46.36238 18.30988 42.67701 16.72128 
3.685375       24.79622 
1 1 1 13  29 6  o 138.5600 6.135667 198.7272       17.28825  181.5688       
29.04578  208.1409       21.51424  129.4454 11.14291 140.9894 7.531172 
-11.54407      13.44927 
1 1 1 13  29 7  o 104.5335 9.369030 117.6002       19.70463  133.5170       
25.65720  94.71284       30.76664  109.8226 11.66725 87.69413 17.85947 
22.12852       21.33273 
1 1 1 13  29 8  o 26.96972 12.08327 -2.987608      13.67998  -19.92898      
21.71493  8.160341       17.61497  28.52290 13.58516 35.43570 14.75588 
-6.912800      20.05724 
1 1 1 13  29 9  o 114.9160 8.172052 143.5426       18.97243  0.000000       
0.000000  143.5426       18.97243  ?        ?        114.9160 8.172052 
0.000000       8.172052 
1 1 1 13  29 10 o 37.17155 15.95366 12.11033       21.63932  -23.52594      
33.04804  38.85612       28.63039  32.90802 15.94775 49.73300 19.47444 
-16.82498      25.17111 
1 1 1 13  30 0  o 18.09589 8.993759 -30.80950      12.84808  -31.29275      
23.87525  -30.61250      15.24344  28.97037 13.91770 20.83167 10.24967 
8.138699       17.28462 
1 1 1 13  30 1  o 42.89381 12.73606 20.06553       11.91569  0.000000       
0.000000  20.06553       11.91569  ?        ?        42.89381 12.73606 
0.000000       12.73606 
1 1 1 13  30 2  o 109.9106 5.782249 124.5624       12.87829  97.05281       
26.08068  133.4327       14.80972  93.73533 14.12063 113.5807 6.438445 
-19.84540      15.51921 
1 1 1 13  30 3  o 55.92957 10.98890 34.20670       12.05239  1.226371       
26.45287  42.84652       13.53934  40.05745 17.41599 62.75280 11.01156 
-22.69535      20.60512 
1 1 1 13  30 4  o 102.2806 7.197577 109.0370       14.87489  107.2615       
27.33987  109.7836       17.72851  98.18089 14.09811 102.0957 8.619709 
-3.914841      16.52441 
1 1 1 13  30 5  o 62.24907 11.74765 42.96985       14.32564  27.00461       
24.93523  50.83569       17.50242  50.31060 18.52157 67.14017 13.28967 
-16.82956      22.79613 
1 1 1 13  30 6  o 66.93774 10.87349 49.42617       14.29307  89.59374       
24.19270  27.88805       17.71538  88.67830 13.87023 48.99619 15.70456 
39.68211       20.95272 
1 1 1 13  30 7  o 110.5701 8.608109 131.0605       19.20262  113.5482       
23.98977  162.2911       32.03646  100.5143 11.97227 118.8987 13.48870 
-18.38442      18.03553 
1 1 1 13  30 8  o 22.53849 10.78412 -15.61277      14.01637  -21.47870      
27.24484  -13.50144      16.34535  31.70576 15.13304 25.46161 12.02655 
6.244148       19.32994 
1 1 1 13  30 9  o 47.59145 12.61607 27.95334       12.40735  18.45582       
19.94897  33.94497       15.84484  40.26919 16.10014 51.14858 14.54400 
-10.87939      21.69660 
1 1 1 13  31 0  o 24.57683 10.89618 -3.001079      10.82581  0.000000       
0.000000  -3.001079      10.82581  ?        ?        24.57683 10.89618 
0.000000       10.89618 
1 1 1 13  31 1  o 25.47121 11.00482 -0.4897716     10.42989  -2.925832      
24.73356  0.3710481E-01  11.50263  37.45858 16.54521 27.01456 11.61399 
10.44401       20.21457 
1 1 1 13  31 2  o 102.3079 6.078351 108.2187       12.58898  118.3287       
26.74858  105.3421       14.26796  104.1219 12.90992 100.6580 7.014316 
3.463943       14.69240 
1 1 1 13  31 3  o 103.4602 6.554833 111.0765       13.71944  113.2307       
29.94354  110.5041       15.43485  100.3203 15.14984 102.9001 7.426132 
-2.579826      16.87202 
1 1 1 13  31 4  o 87.55585 8.197568 80.84480       14.42570  78.41477       
27.06192  81.80940       17.05012  81.84175 16.82264 87.44451 9.754575 
-5.602760      19.44615 
1 1 1 13  31 5  o 35.66350 13.44326 11.47093       13.28645  20.46051       
24.64986  7.789699       15.77398  46.37128 18.09437 34.94265 14.19384 
11.42863       22.99720 
1 1 1 13  31 6  o 57.91797 12.20501 38.27967       13.92141  26.73975       
23.95943  44.16137       17.10512  48.69391 18.11166 61.35851 14.01596 
-12.66460      22.90151 
1 1 1 13  31 7  o 41.89270 15.26257 19.65160       16.86921  30.92736       
20.93779  -1.208645      28.47854  49.77292 17.11011 38.05872 17.20892 
11.71420       24.26731 
1 1 1 13  31 8  o 60.15563 12.07106 42.94662       14.25292  68.28181       
27.65767  33.78548       16.63138  69.15189 19.05678 51.29922 14.99684 
17.85266       24.25007 
1 1 1 13  31 9  o 54.42182 11.97405 36.24516       12.89176  14.10516       
21.58570  48.52098       16.07321  37.99137 16.10782 62.20150 13.12003 
-24.21013      20.77492 
1 1 1 13  32 0  o 67.97286 8.661077 48.93956       11.69977  0.000000       
0.000000  48.93956       11.69977  ?        ?        67.97286 8.661077 
0.000000       8.661077 
1 1 1 13  32 1  o 77.68685 9.976481 64.54108       15.39655  53.66116       
27.54904  69.48293       18.56684  67.04861 19.21570 79.91533 11.77816 
-12.86671      22.53815 
1 1 1 13  32 2  o 68.13197 8.763755 49.33485       11.86057  56.82089       
28.20099  47.72616       13.07297  68.64651 19.36269 66.58533 9.960841 
2.061180       21.77457 
1 1 1 13  32 3  o 81.36165 7.948362 69.71758       12.98273  67.14265       
29.74661  70.32346       14.42956  74.11012 19.48142 81.38216 8.862391 
-7.272034      21.40252 
1 1 1 13  32 4  o 115.6802 7.751389 140.5616       18.12887  0.000000       
0.000000  140.5616       18.12887  ?        ?        115.6802 7.751389 
0.000000       7.751389 
1 1 1 13  32 5  o 28.99319 12.49372 0.9564928      13.37217  -46.39816      
24.60216  20.81272       15.93090  26.04750 12.85514 43.36479 14.92376 
-17.31729      19.69703 
1 1 1 13  32 6  o 65.50228 11.95249 48.95737       15.33420  50.33328       
22.18554  47.69880       21.21844  63.22624 16.92139 61.76546 16.55610 
1.460781       23.67357 
1 1 1 13  32 7  o 29.95939 13.20925 0.3311817      15.69617  -3.128782      
18.88100  8.071942       28.24107  31.00709 14.01706 40.16850 17.71399 
-9.161411      22.58901 
1 1 1 13  32 8  o 62.76979 10.17870 45.33573       12.54758  10.09097       
19.92994  68.47959       16.15016  36.12838 15.40285 77.01907 10.59194 
-40.89068      18.69323 
1 1 1 13  32 9  o 31.76513 14.50208 0.1474109      20.83499  22.83835       
32.48391  -15.71145      27.15677  42.52710 18.86357 30.98802 14.87539 
11.53908       24.02314 
1 1 1 13  33 0  o 89.87455 6.240928 83.73071       11.33539  99.99352       
29.52371  80.91890       12.27628  93.70612 16.07217 88.15696 6.903061 
5.549164       17.49191 
1 1 1 13  33 1  o 52.93497 13.54193 31.68440       14.63632  12.00044       
26.47739  40.34601       17.56379  44.05353 18.19640 59.40870 14.63426 
-15.35517      23.35103 
1 1 1 13  33 2  o 73.62718 8.129813 57.29778       11.96920  19.29309       
27.87662  65.88761       13.25300  47.68071 19.04326 78.91814 8.386731 
-31.23743      20.80824 
1 1 1 13  33 3  o 72.08678 8.871836 55.51767       12.73082  40.76055       
29.20478  58.97972       14.14556  58.26523 20.19739 74.02565 9.624614 
-15.76042      22.37337 
1 1 1 13  33 4  o 134.6029 7.060065 189.6585       19.25738  0.000000       
0.000000  189.6585       19.25738  ?        ?        134.6029 7.060065 
0.000000       7.060065 
1 1 1 13  33 5  o 45.09956 13.44869 23.66701       13.26528  5.871799       
24.09030  31.41078       15.89156  38.71429 16.72571 51.31150 14.55677 
-12.59721      22.17316 
1 1 1 13  33 6  o 66.86977 11.22205 50.88832       14.71935  44.33671       
21.74983  56.42454       19.99351  58.40707 17.17149 67.89555 14.89075 
-9.488480      22.72872 
1 1 1 13  33 7  o 52.66755 13.11211 34.09871       13.98874  89.19590       
27.39642  14.66802       16.26946  81.96926 16.99369 37.45340 14.67642 
44.51586       22.45401 
1 1 1 13  33 8  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 13  34 0  o 60.89014 8.457930 39.47089       10.18996  64.78400       
25.00767  34.43129       11.15832  74.35607 16.91961 56.26188 10.12521 
18.09420       19.71783 
1 1 1 13  34 1  o 27.46668 11.47687 2.461866       10.70825  15.63612       
26.29071  -0.1583523     11.72487  45.28442 18.34908 26.98873 11.66423 
18.29569       21.74265 
1 1 1 13  34 2  o 27.20828 11.63482 0.8988895      11.43362  67.61373       
28.10526  -12.33195      12.51613  74.36696 18.62521 22.44590 10.57817 
51.92106       21.41953 
1 1 1 13  34 3  o 54.36069 11.34003 33.09070       12.13016  75.49802       
26.75890  22.12239       13.60873  79.15373 17.12219 44.19023 13.71257 
34.96350       21.93637 
1 1 1 13  34 4  o 94.77622 7.763629 95.26504       14.83161  89.66002       
26.91262  97.70989       17.77438  86.63435 15.86066 95.15276 9.304984 
-8.518402      18.38868 
1 1 1 13  34 5  o 68.87157 9.764919 52.37492       13.29302  26.01796       
22.78649  65.97235       16.36659  47.11388 17.63533 76.79947 10.77631 
-29.68559      20.66722 
1 1 1 13  34 6  o 59.22884 16.93442 46.71854       21.42059  46.71854       
21.42059  0.000000       0.000000  59.22884 16.93442 ?        ?        
0.000000       16.93442 
1 1 1 13  34 7  o 24.66011 11.24505 -3.973057      12.48064  44.98822       
24.92156  -20.36298      14.41907  54.57763 18.67023 21.28931 10.36663 
33.28832       21.35520 
1 1 1 13  34 8  o 27.78651 11.78146 4.692688       11.54814  -19.12034      
19.44318  17.67177       14.35430  25.43193 12.30227 37.47956 14.00332 
-12.04763      18.63971 
1 1 1 13  35 0  o 97.07088 6.581156 98.08282       12.91424  94.85850       
27.87229  98.96424       14.57289  90.84795 15.65209 97.20209 7.428818 
-6.354134      17.32557 
1 1 1 13  35 1  o 49.30974 12.42647 27.51830       12.45568  -5.475060      
27.58840  35.96538       13.95939  37.84323 17.04047 56.43743 12.49331 
-18.59420      21.12961 
1 1 1 13  35 2  o 95.53498 8.311990 96.82442       15.98708  53.06852       
29.88586  114.3649       18.92206  64.43180 20.37104 103.4789 9.084105 
-39.04710      22.30472 
1 1 1 13  35 3  o 129.0293 7.028223 174.7657       18.37152  139.0022       
34.02630  189.4811       21.82629  108.3401 15.91923 133.7103 8.064937 
-25.37024      17.84559 
1 1 1 13  35 4  f 84.43422 15.98593 86.96409       26.44277  86.96409       
26.44277  0.000000       0.000000  84.43422 15.98593 ?        ?        
0.000000       15.98593 
1 1 1 13  35 5  o 76.05810 8.492919 63.01929       12.91144  58.79464       
22.53817  65.08302       15.75245  67.53339 16.54241 76.05531 10.46214 
-8.521927      19.57314 
1 1 1 13  35 6  o 36.73404 13.65003 15.19528       13.60256  28.10514       
20.64385  5.289334       18.08331  46.02127 16.86614 33.22028 14.42141 
12.80099       22.19107 
1 1 1 13  35 7  o 28.51249 12.07591 4.914433       12.11115  26.85754       
24.23148  -2.392551      13.98299  43.71326 17.64962 26.38620 11.98194 
17.32706       21.33251 
1 1 1 13  36 0  o 30.12788 12.44383 4.260479       12.38183  23.06336       
28.47446  -0.1239017     13.74984  49.02773 19.35171 28.96448 12.57459 
20.06324       23.07832 
1 1 1 13  36 1  o 51.55162 19.68671 29.15097       28.72786  29.15097       
28.72786  0.000000       0.000000  51.55162 19.68671 ?        ?        
0.000000       19.68671 
1 1 1 13  36 2  o 99.54211 16.62689 119.0182       32.46935  119.0182       
32.46935  0.000000       0.000000  99.54211 16.62689 ?        ?        
0.000000       16.62689 
1 1 1 13  36 3  o 72.76926 9.583466 58.01471       13.83652  32.63048       
29.08031  65.44315       15.73134  51.78975 19.80009 76.93128 10.31548 
-25.14154      22.32606 
1 1 1 13  36 4  o 38.12343 13.22859 16.31825       12.52978  11.01623       
22.45389  18.71582       15.09929  39.06181 16.48765 40.57272 14.48428 
-1.510902      21.94623 
1 1 1 13  36 5  o 23.75032 10.86282 -4.913274      11.75822  -8.958865      
19.66850  -2.663318      14.66788  29.27530 13.62143 27.51177 12.40329 
1.763525       18.42240 
1 1 1 13  36 6  o 26.14268 11.34840 1.791099       11.19674  -14.61544      
19.77762  9.529766       13.58309  27.15633 12.94274 32.39020 13.16576 
-5.233866      18.46218 
1 1 1 13  36 7  o 28.72463 11.81111 6.928166       11.09077  -22.81611      
19.40182  21.36515       13.51696  24.43333 11.92549 39.99729 13.74771 
-15.56396      18.19936 
1 1 1 13  37 0  o 62.34558 8.043304 41.53069       9.959649  44.81136       
29.63793  41.11306       10.57460  59.51941 20.36039 61.79844 8.651804 
-2.279037      22.12237 
1 1 1 13  37 1  o 45.32132 11.26734 23.31391       10.33981  53.96160       
28.91804  18.82137       11.07174  64.14851 20.00288 40.76408 12.31624 
23.38444       23.49053 
1 1 1 13  37 2  o 25.20671 11.64627 -8.366880      14.00169  16.94005       
27.80059  -16.96802      16.20736  44.52690 18.53920 24.62907 11.73222 
19.89783       21.93962 
1 1 1 13  37 3  o 79.60606 7.722157 68.01556       12.34352  68.18792       
30.65877  67.98222       13.48470  69.46302 20.37732 79.14812 8.511970 
-9.685104      22.08368 
1 1 1 13  37 4  o 99.49200 8.249844 107.6879       16.54053  0.000000       
0.000000  107.6879       16.54053  ?        ?        99.49200 8.249844 
0.000000       8.249844 
1 1 1 13  37 5  o 34.07944 12.64718 12.86283       11.66978  -20.02231      
21.32803  26.91493       13.94189  27.12899 13.06376 45.75212 13.82016 
-18.62313      19.01732 
1 1 1 13  37 6  o 69.64162 9.133953 55.65560       12.62347  66.26703       
25.43977  52.18932       14.53978  64.94495 18.41550 65.51707 11.32275 
-0.5721207     21.61794 
1 1 1 13  37 7  o 27.37073 11.52632 5.555163       10.93303  18.51703       
19.55474  -0.3390916     13.18660  37.40385 15.55891 25.91814 11.71557 
11.48571       19.47650 
1 1 1 13  38 0  o 48.11719 9.976317 25.80167       9.441221  36.03897       
29.35978  24.62097       9.970813  54.07554 20.06185 46.71219 10.72335 
7.363350       22.74793 
1 1 1 13  38 1  o 68.17357 9.379785 50.90643       12.65910  2.303263       
28.39336  62.96469       14.14253  39.41276 17.55075 75.93650 9.356419 
-36.52374      19.88898 
1 1 1 13  38 2  o 101.8933 6.066486 108.9995       12.51308  102.0489       
31.50676  110.3011       13.63451  88.54052 18.10955 102.2117 6.594940 
-13.67117      19.27301 
1 1 1 13  38 3  o 76.31812 7.529572 62.82501       11.53325  76.06111       
29.61574  60.45884       12.52176  73.03754 19.55218 74.32353 8.434255 
-1.285995      21.29377 
1 1 1 13  38 4  o 31.45695 12.37779 9.279076       11.61561  -3.748681      
21.31906  14.77923       13.85225  31.60600 14.51858 36.30814 13.71681 
-4.702141      19.97349 
1 1 1 13  38 5  o 43.72342 14.00920 25.49374       14.09798  0.000000       
0.000000  25.49374       14.09798  ?        ?        43.72342 14.00920 
0.000000       14.00920 
1 1 1 13  38 6  o 28.28257 11.85510 6.283059       11.47877  6.451659       
24.24125  6.234329       13.03248  34.18736 15.62143 29.17478 12.44731 
5.012583       19.97410 
1 1 1 13  39 0  o 82.69485 6.207543 71.84327       10.36261  28.52121       
29.94549  77.73684       11.04501  49.65651 19.76731 85.96754 6.363207 
-36.31102      20.76625 
1 1 1 13  39 1  o 73.51927 8.653250 58.93714       12.68930  16.67482       
30.27835  67.94132       13.97583  44.27221 18.93271 78.86283 8.868568 
-34.59062      20.90692 
1 1 1 13  39 2  f 36.93116 12.45846 15.67986       11.09546  0.000000       
0.000000  15.67986       11.09546  ?        ?        36.93116 12.45846 
0.000000       12.45846 
1 1 1 13  39 3  o 33.45840 12.26619 12.21436       10.92023  0.000000       
0.000000  12.21436       10.92023  ?        ?        33.45840 12.26619 
0.000000       12.26619 
1 1 1 13  39 4  o 42.16396 13.39402 23.05708       12.90818  -18.01513      
33.44400  30.24654       13.99240  33.55690 16.20892 47.97236 13.67664 
-14.41547      21.20801 
1 1 1 13  39 5  o 57.19067 12.40735 42.08573       14.01473  0.000000       
0.000000  42.08573       14.01473  ?        ?        57.19067 12.40735 
0.000000       12.40735 
1 1 1 13  39 6  o 61.13159 12.23184 49.03035       14.67491  0.000000       
0.000000  49.03035       14.67491  ?        ?        61.13159 12.23184 
0.000000       12.23184 
1 1 1 13  40 0  o 43.44759 10.08877 21.56090       8.742658  33.66507       
29.39255  20.38606       9.157117  50.73450 19.76920 42.01297 10.69161 
8.721535       22.47513 
1 1 1 13  40 1  o 114.3176 5.071863 136.1299       11.79049  132.0296       
31.74580  136.7860       12.69882  102.0733 15.80489 114.3758 5.459811 
-12.30251      16.72137 
1 1 1 13  40 2  o 156.6528 5.170949 256.8321       16.47251  241.1360       
36.09771  260.9602       18.51239  141.7749 12.65370 157.3431 5.785800 
-15.56815      13.91372 
1 1 1 13  40 3  o 43.61298 13.96353 25.08793       14.00817  7.358636       
26.91876  31.67208       16.40434  36.88027 16.69853 47.99787 15.08183 
-11.11760      22.50117 
1 1 1 13  40 4  o 80.21669 7.448299 71.42862       12.01124  50.04250       
20.41772  82.74638       14.85325  57.50105 16.56117 85.11408 8.704068 
-27.61303      18.70918 
1 1 1 13  40 5  o 33.17792 12.61692 13.83523       11.76848  22.81803       
25.25444  11.34351       13.30092  38.92152 16.96826 31.81222 12.99052 
7.109301       21.36997 
1 1 1 13  41 0  o 112.9530 4.637373 132.5012       10.65175  167.2564       
34.50421  128.8400       11.19874  115.5720 15.03760 111.2183 4.951551 
4.353706       15.83185 
1 1 1 13  41 1  o 61.90612 7.925844 42.24049       9.748607  12.64518       
28.11453  46.28512       10.39342  39.93667 17.63980 64.74905 8.068645 
-24.81238      19.39757 
1 1 1 13  41 2  o 101.5490 6.587451 111.1834       13.52987  140.2472       
30.87270  104.2744       15.05234  102.6945 15.24631 97.36286 7.664524 
5.331680       17.06444 
1 1 1 13  41 3  o 21.53178 10.29798 -11.71648      12.75059  37.70655       
27.06041  -25.82082      14.45593  46.68751 18.72131 19.66262 9.731590 
27.02489       21.09956 
1 1 1 13  41 4  o 37.77965 12.28947 19.10025       10.82081  33.53746       
20.48841  13.51541       12.74302  44.76045 16.72870 33.12472 12.98643 
11.63573       21.17775 
1 1 1 13  42 0  o 74.69714 5.542551 59.08019       8.359053  65.35825       
31.79991  58.61419       8.663731  62.00458 21.09051 74.27174 5.781836 
-12.26717      21.86868 
1 1 1 13  42 1  o 57.38805 8.108148 36.96347       9.198736  19.50601       
27.32865  39.19407       9.768754  40.65203 17.68826 58.93097 8.388390 
-18.27893      19.57650 
1 1 1 13  42 2  o 65.49606 20.38073 77.76521       30.03841  77.76521       
30.03841  0.000000       0.000000  65.49606 20.38073 ?        ?        
0.000000       20.38073 
1 1 1 13  42 3  o 32.84345 11.63406 13.61497       9.723387  43.37418       
26.76630  9.090766       10.43636  47.21482 18.72220 29.26071 11.66285 
17.95412       22.05772 
1 1 1 13  42 4  o 39.16113 12.49361 21.59145       11.22179  9.136006       
25.55639  24.56659       12.49033  33.35525 15.52218 41.08020 13.18879 
-7.724945      20.36866 
1 1 1 13  43 0  o 36.39827 15.46375 13.90716       19.96051  14.37818       
29.73783  13.52096       26.92775  38.97812 17.60855 38.08283 17.01528 
0.8952904      24.48634 
1 1 1 13  43 1  o 25.19111 10.17801 5.247558       8.064021  -40.48188      
29.75694  8.872061       8.377503  27.35993 13.61256 28.52839 10.69021 
-1.168463      17.30845 
1 1 1 13  43 2  o 46.85054 10.27993 27.29814       9.524891  3.298701       
26.80921  30.76515       10.18968  33.11741 15.56846 49.70601 10.41430 
-16.58860      18.73058 
1 1 1 13  43 3  o 21.94239 9.895777 -0.5698838     9.345956  -20.36536      
26.13057  2.333879       10.00798  27.28530 13.42398 24.10221 10.58984 
3.183092       17.09818 
1 1 1 13  44 0  o 47.08692 16.71889 36.28412       20.09163  18.04514       
29.85330  51.38548       27.16439  38.27758 17.43020 51.69318 19.27359 
-13.41560      25.98621 
1 1 1 13  44 1  o 42.79787 9.043648 22.07386       7.624314  25.97670       
30.16216  21.80746       7.880229  39.24632 17.73135 42.26077 9.411143 
-3.014446      20.07412 
1 1 1 13  44 2  o 49.98452 9.397824 30.72182       9.201782  22.88134       
29.77878  31.54949       9.675286  36.96255 17.04502 50.27733 9.815473 
-13.31478      19.66917 
1 1 1 13  45 0  f 41.01780 15.75003 28.27891       18.45012  23.66972       
29.01338  31.40835       23.90665  37.85231 17.21593 41.05639 17.15125 
-3.204075      24.30131 
1 1 1 13  45 1  o 30.51081 13.68538 8.681463       17.60130  5.159972       
28.65866  10.81431       22.30347  32.22503 15.41928 32.37716 14.86439 
-0.1521225     21.41738 
1 1 1 13  46 0  o 36.19317 15.02817 22.39714       18.19645  9.983350       
28.81572  30.63042       23.46733  32.64657 15.57685 38.74368 16.62072 
-6.097103      22.77909 
1 1 1 14  0  0  o 33.62459 17.65738 16.93993       15.96707  16.93993       
15.96707  16.93993       15.96707  33.62459 17.65738 33.62459 17.65738 
0.000000       0.000000 
1 1 1 14  0  1  o 130.3755 7.392010 175.0270       19.45382  175.0270       
19.45382  175.0270       19.45382  130.3755 7.392010 130.3755 7.392010 
0.000000       0.000000 
1 1 1 14  0  2  o 153.2937 8.368370 242.1484       25.90886  242.1484       
25.90886  242.1484       25.90886  153.2937 8.368370 153.2937 8.368370 
0.000000       0.000000 
1 1 1 14  0  3  f 160.2154 8.103952 264.2603       26.24882  264.2603       
26.24882  264.2603       26.24882  160.2154 8.103952 160.2154 8.103952 
0.000000       0.000000 
1 1 1 14  0  4  o 177.9957 7.641047 325.5128       27.54161  325.5128       
27.54161  325.5128       27.54161  177.9957 7.641047 177.9957 7.641047 
0.000000       0.000000 
1 1 1 14  0  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 14  0  6  o 43.06718 22.46517 29.24333       25.71607  29.24333       
25.71607  29.24333       25.71607  43.06718 22.46517 43.06718 22.46517 
0.000000       0.000000 
1 1 1 14  0  7  o 149.4079 8.987909 231.7860       27.08129  231.7860       
27.08129  231.7860       27.08129  149.4079 8.987909 149.4079 8.987909 
0.000000       0.000000 
1 1 1 14  0  8  o 26.02180 18.54724 -56.43677      43.33223  -56.43677      
43.33223  -56.43677      43.33223  26.02180 18.54724 26.02180 18.54724 
0.000000       0.000000 
1 1 1 14  0  9  o 124.2151 10.66864 163.5289       26.49116  163.5289       
26.49116  163.5289       26.49116  124.2151 10.66864 124.2151 10.66864 
0.000000       0.000000 
1 1 1 14  0  10 o 56.86436 21.84094 48.24332       23.89073  48.24332       
23.89073  48.24332       23.89073  56.86436 21.84094 56.86436 21.84094 
0.000000       0.000000 
1 1 1 14  0  11 f 32.79340 18.72808 17.32071       19.63706  17.32071       
19.63706  17.32071       19.63706  32.79340 18.72808 32.79340 18.72808 
0.000000       0.000000 
1 1 1 14  0  12 o 31.70692 17.82600 17.43257       17.42453  17.43257       
17.42453  17.43257       17.42453  31.70692 17.82600 31.70692 17.82600 
0.000000       0.000000 
1 1 1 14  1  0  o 172.9471 6.622788 305.4575       23.29194  305.4575       
23.29194  0.000000       0.000000  172.9471 6.622788 ?        ?        
0.000000       6.622788 
1 1 1 14  1  1  o 35.52659 13.18932 10.20950       12.69413  45.37239       
22.82074  -5.545411      15.27550  64.59587 17.10339 28.92577 12.87756 
35.67010       21.40929 
1 1 1 14  1  2  o 289.7087 4.725081 855.7741       27.83699  857.1902       
39.58965  854.3893       39.14895  289.5342 6.724039 289.0763 6.659724 
0.4579163      9.463859 
1 1 1 14  1  3  o 173.1137 5.414286 305.9471       19.06005  276.7103       
26.85312  335.6319       27.05801  164.2342 8.040435 181.0088 7.350973 
-16.77454      10.89428 
1 1 1 14  1  4  o 215.7276 5.024539 475.0282       22.04211  496.0037       
31.97664  456.0382       30.42568  220.0029 7.147478 210.9662 7.092118 
9.036758       10.06899 
1 1 1 14  1  5  o 171.4351 5.568340 300.4284       19.41230  308.2885       
27.75210  292.8982       27.16362  173.2014 7.879399 168.8152 7.912703 
4.386200       11.16673 
1 1 1 14  1  6  o 98.46310 10.04740 101.4692       19.83584  108.3824       
27.97327  94.47755       28.13163  100.4839 14.07602 93.23238 15.37401 
7.251534       20.84453 
1 1 1 14  1  7  o 44.97152 14.75493 20.89487       15.58556  24.53923       
22.09402  17.28506       21.98899  49.85007 17.55016 45.54972 17.26430 
4.300354       24.61837 
1 1 1 14  1  8  f 51.51203 17.43342 27.60757       21.72678  -0.3008193     
24.63543  125.3023       46.09228  39.00073 16.88157 103.5484 22.52991 
-64.54763      28.15288 
1 1 1 14  1  9  o 93.70699 9.557863 92.36480       17.95815  72.97170       
25.50659  111.4271       25.28813  80.73038 16.10152 101.9007 12.46339 
-21.17029      20.36161 
1 1 1 14  1  10 o 71.38542 11.40208 55.28414       15.99481  46.93059       
22.30379  64.12891       22.95020  63.69786 16.92907 75.21395 15.51990 
-11.51609      22.96651 
1 1 1 14  1  11 f 35.15505 13.70018 9.796333       14.11734  31.88526       
19.88009  -12.67375      20.05088  52.40050 16.61965 29.99524 13.88614 
22.40527       21.65727 
1 1 1 14  1  12 o 87.90638 7.848843 82.21696       13.88307  87.48254       
19.83023  77.15514       19.44275  88.72405 11.24320 82.85752 11.87903 
5.866531       16.35607 
1 1 1 14  2  0  o 75.01241 9.513409 58.62912       14.18561  56.49420       
24.74584  59.67410       17.31263  72.08914 17.13273 75.24159 11.69473 
-3.152451      20.74361 
1 1 1 14  2  1  o 227.8481 4.910923 529.2895       22.75411  516.0109       
38.84375  536.2263       28.07535  224.3616 8.513754 229.1792 6.024187 
-4.817581      10.42952 
1 1 1 14  2  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 14  2  3  o 229.8613 5.394773 539.3994       25.21684  517.9922       
40.48367  552.9706       32.23381  224.4838 8.868364 232.4547 6.819017 
-7.970963      11.18691 
1 1 1 14  2  4  o 222.1755 7.005290 505.7090       31.65000  0.000000       
0.000000  505.7090       31.65000  ?        ?        222.1755 7.005290 
0.000000       7.005290 
1 1 1 14  2  5  o 101.2198 8.017074 105.9689       16.36684  105.0144       
23.83876  106.8201       22.51071  99.72966 11.99519 100.8380 11.16514 
-1.108322      16.38734 
1 1 1 14  2  6  o 38.00714 14.69393 10.50479       16.13962  -30.56237      
25.51074  37.91243       20.84066  30.90840 14.72227 58.66763 16.67928 
-27.75923      22.24733 
1 1 1 14  2  7  f 27.91700 12.64821 -7.905266      15.47215  -8.307763      
22.72706  -7.557589      21.12277  34.66027 15.54845 33.53781 15.02114 
1.122459       21.61918 
1 1 1 14  2  8  o 29.21233 13.71800 -19.78390      20.72081  -30.50016      
23.45079  18.37139       44.25001  29.01628 13.90082 56.52792 23.45040 
-27.51164      27.26085 
1 1 1 14  2  9  o 33.58417 14.16378 2.654355       16.54819  -8.122680      
23.49914  13.25621       23.30737  35.08506 15.76940 43.75355 17.43241 
-8.668495      23.50666 
1 1 1 14  2  10 o 101.9662 8.596585 109.1323       17.65892  104.0888       
25.42061  113.8359       24.54914  97.57855 13.14542 102.6920 11.98092 
-5.113449      17.78608 
1 1 1 14  2  11 o 27.54785 12.26301 -3.392111      13.84896  -23.86773      
19.84325  16.05270       19.33731  26.70416 12.79152 41.97592 16.12276 
-15.27176      20.58073 
1 1 1 14  2  12 o 31.40887 12.53616 7.159025       12.07293  -8.426664      
17.34089  21.81984       16.81850  28.50051 13.09280 43.92406 15.32143 
-15.42354      20.15360 
1 1 1 14  3  0  o 135.6833 5.959610 187.8625       16.44355  185.3361       
19.83845  193.4083       29.39302  134.4547 7.282874 136.7326 10.65523 
-2.277908      12.90636 
1 1 1 14  3  1  o 213.1465 4.354467 462.9297       18.87403  476.3179       
26.50721  449.1617       26.88052  215.9924 6.034956 209.7055 6.303423 
6.286911       8.726616 
1 1 1 14  3  2  o 131.9596 6.206050 177.9190       16.65358  215.0017       
30.25926  161.8061       19.94618  144.0703 10.39826 125.4180 7.860468 
18.65231       13.03498 
1 1 1 14  3  3  o 68.04394 10.90152 48.99412       14.57512  40.65984       
20.73650  57.13173       20.49038  61.03918 16.36935 72.73301 14.36338 
-11.69383      21.77757 
1 1 1 14  3  4  o 109.3401 9.313747 124.0544       20.51144  168.4706       
48.90829  114.5750       22.59447  123.5700 20.15849 104.6898 10.76665 
18.88017       22.85357 
1 1 1 14  3  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 14  3  6  o 124.0273 7.602091 158.7387       19.08102  121.6718       
30.58756  182.3524       24.41367  106.3750 14.51934 132.5546 9.112406 
-26.17950      17.14197 
1 1 1 14  3  7  o 126.6635 10.53823 168.0309       26.89741  109.3719       
49.43966  192.6926       32.05675  95.74940 25.08921 135.2231 11.77536 
-39.47366      27.71511 
1 1 1 14  3  8  o 57.08619 14.90836 36.10416       17.49475  74.96951       
24.68512  -3.117093      24.79789  82.53543 15.27008 38.06007 16.69729 
44.47536       22.62686 
1 1 1 14  3  9  o 59.32132 14.29066 39.18719       17.03469  32.21286       
25.60562  44.72481       22.81631  54.97255 18.92010 62.72312 17.31838 
-7.750565      25.64950 
1 1 1 14  3  10 o 75.52922 11.03231 61.56509       16.44488  55.66527       
22.74270  68.02999       23.80693  69.56819 16.35213 77.40736 15.66190 
-7.839165      22.64260 
1 1 1 14  3  11 o 34.13724 13.61018 8.161937       14.21587  -14.16602      
20.76742  27.84943       19.50084  30.13475 14.01314 49.51017 16.51713 
-19.37542      21.66065 
1 1 1 14  3  12 o 58.90070 12.01475 39.64323       13.90330  56.81701       
22.86211  29.56436       17.51416  67.73071 16.70358 49.61391 15.58268 
18.11679       22.84359 
1 1 1 14  4  0  o 154.2048 5.638570 242.5708       17.68146  240.3215       
21.16837  247.7619       32.15815  153.3757 6.787024 154.9327 10.26512 
-1.556976      12.30595 
1 1 1 14  4  1  o 107.2839 5.830438 117.8303       12.67223  118.7842       
17.95900  116.8844       17.88373  107.3482 8.291155 106.4757 8.325812 
0.8724747      11.75000 
1 1 1 14  4  2  o 179.3214 4.960193 327.9861       18.08765  270.2926       
32.80323  353.1904       21.68154  161.7057 10.02504 185.9857 5.732701 
-24.27995      11.54839 
1 1 1 14  4  3  o 216.3934 7.325324 479.7335       32.23460  479.7335       
32.23460  0.000000       0.000000  216.3934 7.325324 ?        ?        
0.000000       7.325324 
1 1 1 14  4  4  o 172.8630 5.501803 305.2751       19.34009  326.1459       
28.41809  287.2690       26.39577  178.2389 7.840448 167.2955 7.758875 
10.94348       11.03054 
1 1 1 14  4  5  o 158.5059 6.388064 257.2939       20.59047  274.2431       
33.39649  246.9000       26.15264  162.4580 10.16005 154.6644 8.346115 
7.793625       13.14855 
1 1 1 14  4  6  o 77.67184 10.83892 63.87151       16.65339  71.02111       
25.24351  58.36208       22.15961  80.32615 16.01589 72.82829 15.44179 
7.497856       22.24764 
1 1 1 14  4  7  o 125.4532 10.70984 165.0420       27.06048  142.0597       
51.46452  173.8240       31.81330  110.1511 23.67996 128.1398 12.36223 
-17.98871      26.71264 
1 1 1 14  4  8  o 67.62392 16.58100 51.31346       22.62648  0.000000       
0.000000  51.31346       22.62648  ?        ?        67.62392 16.58100 
0.000000       16.58100 
1 1 1 14  4  9  o 108.0083 8.933013 122.0164       19.44424  147.0637       
31.92896  107.2516       24.51421  116.5702 13.73280 99.95931 12.32066 
16.61089       18.44962 
1 1 1 14  4  10 o 25.07369 11.77945 -14.46572      15.30550  -15.74313      
22.37111  -13.34162      20.98574  31.43088 14.59193 30.95557 14.28682 
0.4753113      20.42150 
1 1 1 14  4  11 o 72.17511 10.35939 56.63075       14.76863  52.02845       
21.04590  61.09578       20.72967  66.50631 15.79620 72.94216 14.48614 
-6.435852      21.43288 
1 1 1 14  4  12 o 37.39568 13.57174 14.43990       13.32009  33.30132       
21.20415  2.145295       17.11949  52.01616 17.21719 32.51998 14.07454 
19.49618       22.23791 
1 1 1 14  5  0  o 196.4292 5.091900 393.3806       20.33937  400.3384       
24.73812  378.8643       35.73218  198.0365 6.142852 192.1921 9.142658 
5.844345       11.01466 
1 1 1 14  5  1  o 49.77946 13.06987 26.62860       13.39918  47.69690       
22.70364  15.36820       16.59807  66.15162 16.83517 41.84133 15.15533 
24.31029       22.65187 
1 1 1 14  5  2  o 347.4932 4.623924 1231.178       32.67446  1150.413       
61.36632  1263.135       38.60122  334.6026 9.018812 351.7976 5.395811 
-17.19501      10.50970 
1 1 1 14  5  3  o 216.4099 5.041637 477.9230       22.18709  472.8007       
31.83062  482.7636       30.94277  214.8223 7.286424 217.1355 7.007723 
-2.313217      10.10941 
1 1 1 14  5  4  o 165.0950 5.730126 278.5859       19.23754  273.4767       
28.58623  282.8151       26.00814  162.8068 8.665610 165.9942 7.704862 
-3.187454      11.59559 
1 1 1 14  5  5  o 72.51582 11.52864 55.98293       16.43149  76.12480       
26.97894  44.10577       20.71721  83.22672 16.52367 63.22790 16.07679 
19.99881       23.05417 
1 1 1 14  5  6  o 50.38351 14.32091 27.59075       15.36554  -4.319714      
22.42343  55.83888       21.09746  35.89455 15.80909 71.30830 15.02334 
-35.41375      21.80890 
1 1 1 14  5  7  o 105.2964 12.03712 117.6039       25.31119  161.1748       
49.93954  102.5422       29.36189  118.8024 21.46112 96.96439 15.40618 
21.83802       26.41837 
1 1 1 14  5  8  o 57.15431 14.24761 36.11777       16.50117  62.87527       
24.28389  13.16458       22.49143  74.99560 16.38168 43.45684 17.18425 
31.53875       23.74148 
1 1 1 14  5  9  o 29.51612 13.25633 -6.297806      16.57151  -27.64712      
24.32700  12.18598       22.63560  30.25934 14.40307 42.76358 17.13140 
-12.50423      22.38154 
1 1 1 14  5  10 o 137.1423 7.948881 196.2151       22.07303  140.5100       
48.37975  210.8589       24.80523  106.4358 23.02195 141.8610 8.639793 
-35.42514      24.58976 
1 1 1 14  5  11 o 37.52892 15.39781 8.692691       18.79855  0.000000       
0.000000  8.692691       18.79855  ?        ?        37.52892 15.39781 
0.000000       15.39781 
1 1 1 14  5  12 o 33.75700 13.23099 9.519674       13.22495  -23.17303      
22.05330  27.87882       16.52625  28.24831 13.51900 48.27961 15.13247 
-20.03130      20.29175 
1 1 1 14  6  0  o 88.31717 7.081934 80.23719       12.61188  77.32080       
17.74133  83.21659       17.93199  86.11699 10.33743 89.44520 10.03157 
-3.328209      14.40468 
1 1 1 14  6  1  o 253.6364 8.619244 659.9049       44.45618  659.9049       
44.45618  0.000000       0.000000  253.6364 8.619244 ?        ?        
0.000000       8.619244 
1 1 1 14  6  2  o 232.9006 4.546221 553.0300       21.53141  572.3254       
41.96963  546.1375       25.08394  236.0616 8.742956 231.3262 5.332362 
4.735428       10.24077 
1 1 1 14  6  3  o 145.8811 6.047737 217.5355       17.94086  212.6087       
26.33965  221.7996       24.50410  143.4680 9.075006 146.7454 8.244913 
-3.277390      12.26109 
1 1 1 14  6  4  o 151.3066 5.802897 234.0463       17.85476  264.0938       
26.93989  210.5089       23.84357  160.0633 8.305151 142.8731 8.241703 
17.19022       11.70048 
1 1 1 14  6  5  f 126.5089 7.112452 164.7270       18.22326  113.2164       
28.28050  201.3017       23.83032  102.9162 13.86592 139.5619 8.436408 
-36.64572      16.23073 
1 1 1 14  6  6  o 137.5131 6.520770 193.9135       18.23452  175.2081       
27.34044  208.9001       24.47229  129.4539 10.47557 142.0623 8.510386 
-12.60841      13.49683 
1 1 1 14  6  7  o 86.19801 11.15539 78.76747       19.09519  78.61659       
27.01202  78.91818       26.99734  84.27682 16.35138 84.45889 16.30951 
-0.1820755     23.09476 
1 1 1 14  6  8  o 29.31003 13.21286 -7.280977      16.64095  -4.695374      
24.56104  -9.475147      22.62564  37.26649 16.47252 34.04943 15.37269 
3.217064       22.53139 
1 1 1 14  6  9  o 50.51200 17.13017 27.03969       20.97793  46.38026       
25.10652  -17.69444      38.18311  63.56733 18.38089 42.51599 19.49325 
21.05134       26.79260 
1 1 1 14  6  10 o 87.07198 9.295428 80.35584       16.20446  70.46461       
23.74036  88.98412       22.17298  78.80611 15.36614 90.32349 12.39891 
-11.51738      19.74465 
1 1 1 14  6  11 o 183.5295 5.297703 347.3078       19.77174  311.4502       
28.13951  382.2719       27.78675  172.2479 8.033620 191.4646 7.136706 
-19.21671      10.74577 
1 1 1 14  6  12 o 41.20726 14.53397 18.83354       15.15909  23.41249       
39.32494  18.03436       16.42878  50.35434 21.55620 41.00782 15.04345 
9.346512       26.28641 
1 1 1 14  7  0  o 58.07932 9.781100 35.57741       11.14160  41.99760       
15.17148  28.06155       16.41509  62.70139 12.33811 51.34679 14.86705 
11.35460       19.31989 
1 1 1 14  7  1  o 191.1588 5.557475 372.9453       21.60346  341.1351       
32.61382  397.8152       28.83735  182.3097 8.797116 197.1799 7.191862 
-14.87016      11.36275 
1 1 1 14  7  2  o 160.8274 5.015009 263.8835       16.40148  293.5686       
31.19983  252.5472       19.28054  168.7359 9.126640 157.2164 6.030731 
11.51953       10.93916 
1 1 1 14  7  3  o 130.2787 6.339938 173.6022       16.79615  182.0627       
25.11709  166.7586       22.59005  132.6319 9.372929 127.0435 8.798228 
5.588432       12.85537 
1 1 1 14  7  4  o 161.4995 5.720407 266.6276       18.78666  274.4840       
28.77783  260.7928       24.80035  163.0612 8.710246 159.3848 7.651730 
3.676407       11.59385 
1 1 1 14  7  5  o 186.8999 5.460366 357.1307       20.75307  354.5266       
30.72202  359.3164       28.14548  185.5964 8.140081 187.0426 7.399745 
-1.446182      11.00078 
1 1 1 14  7  6  o 165.2666 5.828328 279.6379       19.58756  232.4629       
29.02662  319.0820       26.54185  149.5135 9.597654 176.1643 7.409039 
-26.65080      12.12472 
1 1 1 14  7  7  o 31.08985 13.42986 -0.7799339     15.52725  38.77453       
22.77690  -35.12159      21.22304  59.14920 17.61899 26.02563 12.65103 
33.12357       21.69049 
1 1 1 14  7  8  o 132.2942 7.101551 180.6540       19.03508  176.1961       
27.05082  185.0265       26.79041  129.5642 10.35349 132.9334 9.983369 
-3.369217      14.38271 
1 1 1 14  7  9  o 45.29397 16.48417 19.67273       19.67013  45.52943       
23.22118  -46.01148      37.01078  63.06000 17.49417 35.94079 17.28230 
27.11921       24.59114 
1 1 1 14  7  10 o 41.31492 14.66893 17.10143       15.46657  19.63939       
23.29106  15.09946       20.68600  46.29397 17.71496 42.60275 16.58914 
3.691227       24.26972 
1 1 1 14  7  11 o 41.37819 14.03699 18.56643       14.08603  12.62093       
21.16237  23.29596       18.87465  40.77420 16.48314 46.04907 16.22021 
-5.274872      23.12551 
1 1 1 14  7  12 o 56.04006 11.50370 35.86104       12.67036  29.15503       
18.87358  41.36288       17.09529  48.97531 16.24505 58.63720 14.43385 
-9.661896      21.73103 
1 1 1 14  8  0  o 174.0482 4.428888 308.6888       15.67530  284.1451       
21.17873  338.4229       23.31075  166.8039 6.243704 182.0328 6.297313 
-15.22888      8.867920 
1 1 1 14  8  1  o 111.7649 7.720010 128.5513       17.43831  97.02509       
26.04352  154.1732       23.47845  95.64434 13.78863 122.0871 9.532465 
-26.44278      16.76288 
1 1 1 14  8  2  o 125.6196 5.886725 161.2153       15.03774  150.7244       
28.14001  165.4088       17.79114  120.0974 11.66965 126.9433 6.918054 
-6.845917      13.56614 
1 1 1 14  8  3  o 187.1159 7.234118 358.8249       27.52629  0.000000       
0.000000  358.8249       27.52629  ?        ?        187.1159 7.234118 
0.000000       7.234118 
1 1 1 14  8  4  o 167.5039 5.846224 286.9259       19.91370  283.6706       
33.04441  288.7823       24.95396  165.3961 9.869724 167.7731 7.314179 
-2.377029      12.28449 
1 1 1 14  8  5  o 53.95998 13.58745 31.79380       14.90031  47.48608       
23.88733  21.79916       19.06374  65.31773 17.59110 47.05278 16.31777 
18.26495       23.99410 
1 1 1 14  8  6  o 150.2978 7.345439 232.2594       22.45029  356.5710       
57.26643  209.6845       24.40377  182.1410 15.61201 142.3066 8.471284 
39.83440       17.76225 
1 1 1 14  8  7  o 32.72787 13.85307 1.769220       15.92311  -22.53548      
23.51897  22.33805       21.63605  31.02563 14.58407 48.22603 17.32539 
-17.20040      22.64650 
1 1 1 14  8  8  o 120.1594 7.649660 149.5334       18.59455  135.2576       
27.29768  161.8917       25.39827  112.7112 12.09918 124.2078 10.14407 
-11.49655      15.78899 
1 1 1 14  8  9  o 26.76921 12.75742 -22.78979      19.20889  -20.05440      
22.67056  -29.75185      36.16772  30.66988 14.38530 38.43944 18.07432 
-7.769564      23.10017 
1 1 1 14  8  10 o 191.3114 5.316964 376.2567       20.68502  369.5012       
30.10995  382.2944       28.46536  188.3675 7.860543 191.9161 7.293802 
-3.548523      10.72323 
1 1 1 14  8  11 o 129.1527 6.571201 173.9227       17.20140  168.7558       
25.29694  178.3663       23.45973  125.1836 10.02133 129.4294 8.968597 
-4.245827      13.44853 
1 1 1 14  8  12 o 36.49053 13.08478 14.03409       12.33536  2.194225       
17.67455  25.27781       17.22384  32.75284 14.23802 46.07316 15.52242 
-13.32032      21.06340 
1 1 1 14  9  0  o 168.0645 4.622574 287.9073       15.79834  307.7225       
22.17122  267.4688       22.51724  173.5695 6.281520 161.7499 6.845726 
11.81960       9.290935 
1 1 1 14  9  1  o 301.9687 4.412758 929.4644       27.09715  1012.696       
55.48350  903.3940       31.05228  314.0720 8.687268 297.5726 5.131556 
16.49939       10.08967 
1 1 1 14  9  2  o 127.5467 6.899500 166.9984       17.82873  187.1329       
28.98862  154.7490       22.61073  134.1730 10.71391 122.3149 9.156851 
11.85801       14.09382 
1 1 1 14  9  3  f 74.16258 9.683849 57.65370       14.25576  68.52132       
20.98867  48.34644       19.42356  79.99606 13.37441 66.61375 14.72996 
13.38230       19.89590 
1 1 1 14  9  4  o 60.21905 13.07900 39.34110       15.55767  25.94756       
25.59799  47.18637       19.59124  52.33694 18.84051 65.62701 15.00653 
-13.29008      24.08653 
1 1 1 14  9  5  o 227.2324 7.551356 530.7840       34.89367  530.7840       
34.89367  0.000000       0.000000  227.2324 7.551356 ?        ?        
0.000000       7.551356 
1 1 1 14  9  6  f 86.87120 11.69269 80.23359       20.13116  134.2353       
57.46457  72.67901       21.49321  105.2626 26.78093 82.07883 13.33482 
23.18378       29.91715 
1 1 1 14  9  7  o 26.85303 12.38369 -11.32098      15.72143  -18.29062      
23.98211  -6.068673      20.81886  32.55576 15.11205 33.74335 15.02714 
-1.187584      21.31171 
1 1 1 14  9  8  f 43.49773 15.98086 17.32226       18.54999  7.872131       
25.28070  28.34490       27.30317  42.59163 17.70166 53.47972 19.42739 
-10.88808      26.28255 
1 1 1 14  9  9  o 38.10138 15.89825 5.800000       20.50723  14.93563       
24.22330  -17.31347      38.52979  44.81316 17.79774 42.59976 19.55002 
2.213398       26.43791 
1 1 1 14  9  10 f 46.03398 17.35399 20.36088       22.14238  20.36088       
22.14238  0.000000       0.000000  46.03398 17.35399 ?        ?        
0.000000       17.35399 
1 1 1 14  9  11 o 80.05069 9.985109 69.61073       15.90091  50.78669       
24.65872  83.00957       20.80404  63.88168 18.13639 86.23601 12.20414 
-22.35432      21.86023 
1 1 1 14  9  12 o 22.18657 10.43704 -10.64188      12.08388  -40.12052      
17.61213  15.57818       16.61021  20.88425 10.40400 39.21138 14.97066 
-18.32712      18.23085 
1 1 1 14  10 0  o 136.2633 4.999648 189.3584       13.85382  174.9948       
18.93808  205.8935       20.31928  130.5953 7.158387 141.8787 7.042708 
-11.28342      10.04202 
1 1 1 14  10 1  o 90.62910 7.252873 84.62302       13.25486  84.05692       
25.50193  84.83257       15.51523  88.59327 14.66861 90.51657 8.529635 
-1.923302      16.96829 
1 1 1 14  10 2  o 94.07080 8.539324 91.65207       16.15741  75.95567       
23.73843  105.2005       22.05444  84.09537 14.39908 100.2727 10.99631 
-16.17733      18.11773 
1 1 1 14  10 3  o 132.9581 9.736850 183.3974       26.14290  183.3974       
26.14290  0.000000       0.000000  132.9581 9.736850 ?        ?        
0.000000       9.736850 
1 1 1 14  10 4  o 216.9531 5.359667 481.0225       23.64586  474.6398       
39.45935  484.5988       29.53646  214.5037 9.046150 217.4527 6.679474 
-2.948975      11.24492 
1 1 1 14  10 5  o 169.7034 5.684031 294.6940       19.61545  342.4084       
31.01613  262.8891       25.32269  182.2516 8.368831 159.8387 7.790699 
22.41290       11.43382 
1 1 1 14  10 6  o 341.9893 5.826995 1197.931       40.52365  1514.904       
92.66074  1122.969       45.06136  380.1197 11.98737 330.7273 6.700125 
49.39246       13.73276 
1 1 1 14  10 7  o 189.4852 5.528347 367.6724       21.30207  369.5618       
31.62010  366.1023       28.82491  189.1614 8.220143 188.5132 7.519255 
0.6482086      11.14046 
1 1 1 14  10 8  o 113.6368 8.645027 134.6214       19.82747  142.5251       
25.98076  123.5981       30.68269  116.0194 11.14939 106.4964 14.54851 
9.523026       18.32943 
1 1 1 14  10 9  o 28.96742 12.91826 -4.629824      15.44345  0.3253794      
22.41041  -9.111047      21.31166  37.08298 16.07629 32.71720 14.83178 
4.365784       21.87301 
1 1 1 14  10 10 o 110.7889 7.572456 128.3626       16.95799  141.7771       
25.23783  117.3210       22.89711  114.7817 10.94516 104.3279 10.95630 
10.45383       15.48667 
1 1 1 14  10 11 o 119.3000 7.283365 149.6322       17.58485  164.7938       
28.92639  140.7444       22.14716  122.0764 11.79942 114.3079 9.617116 
7.768539       15.22219 
1 1 1 14  10 12 o 76.41382 8.981169 63.70128       13.68964  57.24181       
20.35594  69.03506       18.49739  68.42271 15.03986 77.55164 12.12634 
-9.128929      19.31956 
1 1 1 14  11 0  o 118.9965 11.16779 147.4384       26.70805  147.4384       
26.70805  0.000000       0.000000  118.9965 11.16779 ?        ?        
0.000000       11.16779 
1 1 1 14  11 1  o 169.2995 4.874648 292.3779       16.78225  335.4508       
33.43651  277.8730       19.40330  180.3817 9.145334 164.9373 5.785025 
15.44446       10.82144 
1 1 1 14  11 2  o 101.6998 8.485951 107.0098       17.38951  117.8021       
26.56459  98.91731       23.00306  105.6932 12.60847 96.92655 11.92188 
8.766647       17.35237 
1 1 1 14  11 3  o 175.7159 5.579833 315.5499       19.93809  317.2939       
32.87850  314.5356       25.07474  175.1828 9.262222 175.1687 7.039285 
0.1409912E-01  11.63358 
1 1 1 14  11 4  o 164.8477 5.513073 277.8425       18.48111  257.5004       
28.41096  292.7639       24.33284  157.7610 8.892202 168.9121 7.084035 
-11.15111      11.36903 
1 1 1 14  11 5  o 30.92255 13.11286 1.169749       14.30868  -18.66381      
22.47086  14.69632       18.55723  31.22399 14.53860 42.14436 15.88722 
-10.92036      21.53542 
1 1 1 14  11 6  o 147.3504 6.277062 222.6906       18.80871  217.6601       
29.62220  226.0887       24.34626  144.3375 10.15696 147.8239 8.130337 
-3.486465      13.01024 
1 1 1 14  11 7  o 36.18206 14.35080 8.333675       15.72980  43.53027       
24.58382  -16.06434      20.46804  62.20803 18.24658 30.02830 13.94637 
32.17973       22.96603 
1 1 1 14  11 8  o 150.6124 7.220231 233.9367       22.11379  232.4652       
29.38909  235.8571       33.57440  148.9834 9.754414 149.4206 11.12939 
-0.4372406     14.79905 
1 1 1 14  11 9  o 103.7324 8.374512 112.6686       17.51487  98.02435       
25.98991  124.8529       23.70676  94.31592 13.97370 108.1712 10.92709 
-13.85525      17.73881 
1 1 1 14  11 10 o 106.9963 7.927555 120.2141       17.12609  110.9179       
25.66889  127.6722       22.99159  100.2079 12.89587 109.0143 10.50122 
-8.806435      16.63067 
1 1 1 14  11 11 o 28.12026 12.54779 -3.114901      14.59324  17.80202       
24.65196  -14.39914      18.10667  44.36076 17.84034 27.36027 12.84034 
17.00048       21.98072 
1 1 1 14  11 12 o 41.89775 13.43087 20.62769       12.95679  33.07953       
19.75650  11.23016       17.16327  51.05059 16.60571 36.65960 14.83567 
14.39099       22.26761 
1 1 1 14  12 0  o 117.0770 6.313981 140.4911       14.97674  142.5910       
26.66340  139.5232       18.10221  116.9247 11.35722 116.4476 7.687767 
0.4770432      13.71452 
1 1 1 14  12 1  o 184.2516 4.646996 346.2360       17.41145  332.5890       
33.76015  351.1814       20.32279  179.5360 9.278721 185.4652 5.388517 
-5.929214      10.72990 
1 1 1 14  12 2  o 174.6544 4.949436 311.3328       17.57870  324.7011       
33.72046  306.3441       20.59917  177.2588 9.388251 173.1194 5.851301 
4.139343       11.06241 
1 1 1 14  12 3  f 120.7567 7.078079 150.0325       17.30520  153.4627       
28.73280  148.0799       21.67798  120.8813 11.84077 119.5370 8.983647 
1.344215       14.86303 
1 1 1 14  12 4  o 49.55500 13.93737 26.62904       14.63343  7.573033       
22.19897  41.27286       19.46005  40.80386 16.73601 61.17026 15.59648 
-20.36640      22.87672 
1 1 1 14  12 5  o 148.5788 7.083361 226.8174       21.40166  306.0924       
58.48763  214.5618       22.99654  167.5326 17.42260 144.1261 7.876185 
23.40651       19.12018 
1 1 1 14  12 6  o 199.8807 5.208783 408.7287       21.17184  380.7631       
32.29594  429.8044       28.03677  192.0279 8.270507 204.5466 6.740378 
-12.51868      10.66930 
1 1 1 14  12 7  o 101.5019 8.653062 107.4115       17.69001  91.37561       
27.24117  119.1051       23.26226  91.21265 15.22307 106.1707 10.93069 
-14.95805      18.74092 
1 1 1 14  12 8  o 89.98653 10.99625 86.27716       19.70349  71.37189       
26.62670  104.3179       29.29373  79.30557 17.01986 97.15196 15.33651 
-17.84639      22.91035 
1 1 1 14  12 9  o 37.81741 14.69195 11.16242       16.19636  15.23919       
24.69009  8.082973       21.45858  44.91909 17.92780 39.63029 16.37630 
5.288807       24.28146 
1 1 1 14  12 10 o 68.01887 11.41712 50.96442       15.23245  66.62582       
22.02014  36.59326       21.09360  76.23692 14.73695 55.69524 17.03738 
20.54168       22.52666 
1 1 1 14  12 11 o 91.63155 7.976085 89.37316       14.71407  77.94080       
21.37983  99.66084       20.28127  82.45217 13.19622 95.19190 10.66016 
-12.73973      16.96406 
1 1 1 14  12 12 o 34.89978 14.01188 10.23023       15.17897  -25.60158      
34.92962  18.57203       16.85347  35.38931 16.95691 40.85624 15.19146 
-5.466930      22.76658 
1 1 1 14  13 0  o 53.15875 11.86946 30.39564       12.50640  22.77058       
22.47710  33.81479       15.05144  49.49535 17.67186 55.90491 13.41161 
-6.409554      22.18481 
1 1 1 14  13 1  o 153.6693 5.026337 240.9942       15.70689  269.5542       
31.40440  231.4666       18.13856  161.4543 9.608520 150.4923 5.927029 
10.96204       11.28952 
1 1 1 14  13 2  o 97.52803 6.969792 97.95100       13.73188  90.31721       
26.23285  100.8322       16.11629  91.69040 14.55557 98.74443 8.097279 
-7.054031      16.65625 
1 1 1 14  13 3  o 218.0070 6.683175 487.0555       29.62817  456.5516       
37.95790  534.6194       47.39830  210.4430 8.869847 227.2000 10.25896 
-16.75691      13.56172 
1 1 1 14  13 4  o 194.5864 5.081813 386.9377       20.10864  413.1231       
31.65223  369.2169       26.03848  200.3891 7.767458 189.7135 6.749413 
10.67558       10.29019 
1 1 1 14  13 5  f 128.0621 8.042726 169.7135       20.83840  193.3783       
55.94195  165.9008       22.45440  130.0676 21.93037 126.3953 8.790833 
3.672264       23.62668 
1 1 1 14  13 6  o 86.78877 8.983287 78.81128       15.62489  83.06354       
24.95122  76.06799       20.04095  87.24055 14.57890 84.32296 12.02840 
2.917595       18.90044 
1 1 1 14  13 7  o 39.62297 14.91958 13.19415       16.35601  17.36918       
25.53157  10.28814       21.30081  47.12604 18.40785 41.14885 16.57119 
5.977196       24.76799 
1 1 1 14  13 8  f 39.75877 15.09853 13.22672       16.83856  -12.02466      
25.49415  32.76660       22.42637  35.32253 16.09342 54.49173 17.69060 
-19.16919      23.91559 
1 1 1 14  13 9  o 79.33530 10.50522 67.60680       16.53134  87.62817       
24.36509  50.52810       22.50343  88.85459 13.94355 65.93726 16.74999 
22.91733       21.79415 
1 1 1 14  13 10 o 68.01222 13.89769 52.89103       18.57199  68.74153       
21.93602  12.77110       34.89926  77.45152 14.45939 47.56099 20.33230 
29.89053       24.94948 
1 1 1 14  13 11 o 34.88496 13.19133 11.44244       12.81872  16.99506       
18.87181  6.686004       17.46648  41.30666 15.91160 34.92544 14.63089 
6.381214       21.61578 
1 1 1 14  13 12 o 55.32499 13.86366 37.43374       15.56588  -7.671658      
34.71695  48.78289       17.41442  38.75534 18.05394 63.35307 13.89928 
-24.59772      22.78453 
1 1 1 14  14 0  o 231.6254 4.325190 546.9396       20.37243  524.5112       
38.88686  555.4240       23.91731  225.9865 8.461921 233.3049 5.041235 
-7.318405      9.849779 
1 1 1 14  14 1  o 274.9425 4.855642 771.3818       27.14813  761.6119       
47.58753  776.0956       33.05485  272.1529 8.598619 275.5457 5.899160 
-3.392731      10.42767 
1 1 1 14  14 2  o 195.2988 5.332507 389.6527       21.17788  383.2545       
35.99885  393.0391       26.18925  192.7957 9.182054 195.9051 6.573941 
-3.109436      11.29278 
1 1 1 14  14 3  o 162.5336 6.122536 270.4520       20.23606  275.1425       
33.65001  267.7947       25.32763  162.6421 10.22628 161.4085 7.716435 
1.233597       12.81094 
1 1 1 14  14 4  o 137.5027 9.743531 196.8757       27.06809  196.8757       
27.06809  0.000000       0.000000  137.5027 9.743531 ?        ?        
0.000000       9.743531 
1 1 1 14  14 5  o 42.45932 14.38738 18.11835       14.79787  5.341691       
23.38753  26.64823       19.10939  40.43186 16.93348 50.19268 16.33173 
-9.760822      23.52590 
1 1 1 14  14 6  o 129.5865 6.907696 173.1707       18.13737  192.2449       
29.30922  161.3331       23.08945  135.2517 10.74492 124.3903 9.193132 
10.86146       14.14097 
1 1 1 14  14 7  o 98.46194 8.668468 101.2520       17.17953  72.33464       
25.44581  125.4735       23.28833  80.42959 16.11930 109.0002 10.64231 
-28.57061      19.31555 
1 1 1 14  14 8  o 120.0378 7.412933 149.5398       18.00648  154.7447       
27.10119  145.4261       24.09337  120.5959 11.17816 117.3158 10.20080 
3.280083       15.13299 
1 1 1 14  14 9  o 108.5356 7.872101 123.2628       17.25643  105.4096       
25.33331  138.7178       23.57048  97.93661 13.04465 114.0748 10.27092 
-16.13818      16.60285 
1 1 1 14  14 10 o 53.50048 15.95091 33.82563       18.66194  39.42956       
22.50408  21.48625       33.39349  57.09628 17.61980 49.81108 20.48964 
7.285206       27.02374 
1 1 1 14  14 11 o 59.24807 11.46817 39.96324       13.31779  33.58260       
19.56961  45.46741       18.17591  52.03488 16.48783 61.33361 14.75303 
-9.298725      22.12466 
1 1 1 14  15 0  o 209.2498 4.549008 446.5551       19.35678  475.6068       
38.10418  436.4505       22.47237  215.0778 8.712156 206.7491 5.345075 
8.328705       10.22113 
1 1 1 14  15 1  o 101.6823 7.229970 106.5240       14.85231  62.30293       
26.19714  127.4705       18.02998  75.06551 17.48672 111.1166 8.033439 
-36.05106      19.24374 
1 1 1 14  15 2  o 187.5099 5.312852 359.2521       20.25832  364.7794       
35.59365  356.6037       24.63827  187.9972 9.310431 186.5923 6.493293 
1.404816       11.35108 
1 1 1 14  15 3  o 70.76479 11.55989 53.46106       16.06051  47.88658       
25.79816  56.98869       20.52240  65.51622 18.53335 72.26606 14.46973 
-6.749840      23.51294 
1 1 1 14  15 4  o 177.5289 6.493865 323.3094       23.44357  231.8077       
58.62404  340.7275       25.57777  143.5757 20.67525 182.1429 6.905561 
-38.56726      21.79799 
1 1 1 14  15 5  o 138.3793 6.238932 196.4484       17.55629  209.4708       
27.78727  187.7962       22.64969  141.6909 9.702300 134.5891 8.316374 
7.101852       12.77876 
1 1 1 14  15 6  o 54.77665 14.05524 33.17707       15.73374  30.67965       
26.17544  34.58986       19.68729  54.50312 19.10827 55.82925 16.31524 
-1.326130      25.12594 
1 1 1 14  15 7  o 159.7044 6.198350 262.0678       20.13003  223.1974       
30.46257  292.1988       26.82032  145.6989 10.34887 168.1080 7.845565 
-22.40912      12.98661 
1 1 1 14  15 8  o 57.23809 13.72032 36.65198       15.76212  23.59592       
23.64766  47.08969       21.14389  48.99778 18.03722 64.16854 16.20098 
-15.17076      24.24486 
1 1 1 14  15 9  o 97.20167 8.536530 99.64090       16.70262  110.9444       
25.11139  90.67225       22.36805  100.6178 12.54536 90.90514 12.42544 
9.712646       17.65722 
1 1 1 14  15 10 o 41.39585 16.42792 14.70657       20.62342  8.118940       
25.30594  27.73464       35.58754  40.80346 17.37522 52.46803 21.31691 
-11.66457      27.50107 
1 1 1 14  15 11 o 94.87276 7.369917 95.68288       14.10697  83.62608       
20.70477  106.1295       19.27266  85.49732 12.25962 98.38383 9.761989 
-12.88651      15.67146 
1 1 1 14  16 0  o 239.0634 4.368873 582.8077       21.23900  538.2672       
40.98321  599.1623       24.83404  228.7186 8.811566 242.2767 5.040625 
-13.55812      10.15143 
1 1 1 14  16 1  o 46.61722 13.40701 23.30675       13.38975  -2.081239      
23.51062  35.49453       16.28966  37.79206 16.42495 57.04688 14.11829 
-19.25481      21.65883 
1 1 1 14  16 2  o 56.09881 11.89493 33.99599       13.14864  25.13902       
21.43967  39.33560       16.64678  50.19041 17.31050 60.01019 13.91227 
-9.819782      22.20821 
1 1 1 14  16 3  o 155.2371 5.107796 246.3069       16.12429  279.8521       
31.29835  234.1868       18.81301  164.1963 9.412884 151.1987 6.118696 
12.99767       11.22679 
1 1 1 14  16 4  o 205.2115 6.098871 431.6878       25.45086  437.9208       
63.61908  430.5002       27.76984  201.6637 15.63568 204.7662 6.669046 
-3.102463      16.99854 
1 1 1 14  16 5  o 152.6790 5.935560 239.0131       18.42860  224.4629       
29.00296  248.8653       23.86569  146.6082 9.784399 155.3928 7.552516 
-8.784546      12.36022 
1 1 1 14  16 6  o 159.6289 5.970877 261.4527       19.38211  301.1544       
31.00658  235.9899       24.83144  170.1239 8.994623 150.8697 8.123655 
19.25424       12.12011 
1 1 1 14  16 7  o 61.50378 13.46525 41.86824       16.37408  49.46304       
26.20046  37.00095       20.97462  65.49138 18.73007 57.30905 16.86669 
8.182331       25.20517 
1 1 1 14  16 8  o 245.8324 6.815067 624.3374       34.06909  0.000000       
0.000000  624.3374       34.06909  ?        ?        245.8324 6.815067 
0.000000       6.815067 
1 1 1 14  16 9  o 114.7495 8.534874 138.8498       19.77337  147.8667       
26.94293  128.3241       29.11020  116.7858 11.49389 107.3970 13.63647 
9.388733       17.83431 
1 1 1 14  16 10 o 26.72045 12.67742 -18.14749      18.54980  -15.61059      
22.21009  -23.99856      33.72991  30.53460 14.29521 36.35349 17.20341 
-5.818888      22.36762 
1 1 1 14  16 11 o 26.10376 11.61592 -2.007209      12.41367  -1.424191      
19.24803  -2.422401      16.24316  32.18454 14.38242 29.44915 13.18235 
2.735395       19.50970 
1 1 1 14  17 0  o 219.5618 4.392806 491.6889       19.61329  457.7924       
37.21283  504.7267       23.07907  210.9074 8.676599 222.3325 5.104627 
-11.42508      10.06681 
1 1 1 14  17 1  o 82.36996 8.669009 70.63174       14.30281  90.05082       
25.33821  61.55065       17.32730  91.59426 14.05232 76.12024 11.55708 
15.47402       18.19433 
1 1 1 14  17 2  f 297.5103 4.918971 904.1232       29.75965  857.8572       
51.94994  926.7217       36.30737  288.3138 8.860703 300.8907 5.933823 
-12.57697      10.66407 
1 1 1 14  17 3  o 175.7180 5.405154 315.8712       19.31416  326.8142       
35.05500  311.1013       23.14385  177.2653 9.762303 174.1412 6.535559 
3.124100       11.74802 
1 1 1 14  17 4  o 78.54449 12.52680 66.40561       19.33600  -26.71115      
54.33585  79.90746       20.69042  50.02622 23.05336 86.45915 12.09956 
-36.43293      26.03568 
1 1 1 14  17 5  o 65.43997 11.63042 46.20760       14.91004  64.64149       
24.63542  35.55216       18.72997  75.95676 16.42730 56.52135 15.72275 
19.43541       22.73898 
1 1 1 14  17 6  o 37.28417 14.30911 10.82819       15.22385  13.66732       
24.02135  8.922341       19.68108  44.40902 17.69619 39.29126 15.89154 
5.117767       23.78437 
1 1 1 14  17 7  o 185.6068 7.667324 356.5062       28.93938  0.000000       
0.000000  356.5062       28.93938  ?        ?        185.6068 7.667324 
0.000000       7.667324 
1 1 1 14  17 8  o 66.65981 12.30775 48.95903       16.06916  40.47737       
25.10875  54.84277       20.91278  59.02291 18.67328 69.39391 15.23699 
-10.37100      24.10098 
1 1 1 14  17 9  o 72.45942 12.37684 58.46411       17.58224  53.36498       
23.87940  64.50156       25.98378  66.61393 17.42774 73.21100 17.65767 
-6.597069      24.80967 
1 1 1 14  17 10 o 89.52948 8.941404 86.32018       16.06110  116.5112       
26.10802  67.93781       20.37209  101.2377 12.98076 76.62768 13.57038 
24.61006       18.77912 
1 1 1 14  17 11 o 48.74457 14.65209 29.36432       15.69917  1.124457       
35.38926  36.28335       17.51713  41.31701 18.87744 53.70347 15.29982 
-12.38647      24.29902 
1 1 1 14  18 0  o 210.6935 4.938630 453.2363       21.15968  457.1338       
38.09366  451.4972       25.44637  210.6222 8.894001 210.0914 5.956157 
0.5307770      10.70416 
1 1 1 14  18 1  o 130.6893 6.229323 174.9018       16.55512  192.2708       
29.20021  166.6742       20.09725  135.7064 10.66716 127.0889 7.814257 
8.617523       13.22312 
1 1 1 14  18 2  o 41.33711 12.79363 17.96734       11.85468  31.21005       
20.61377  11.42346       14.49061  53.86519 16.90341 37.42152 14.05234 
16.44366       21.98166 
1 1 1 14  18 3  o 150.6835 6.101587 232.7561       18.69648  0.000000       
0.000000  232.7561       18.69648  ?        ?        150.6835 6.101587 
0.000000       6.101587 
1 1 1 14  18 4  o 167.7560 11.94773 297.2524       40.49187  0.000000       
0.000000  297.2524       40.49187  ?        ?        167.7560 11.94773 
0.000000       11.94773 
1 1 1 14  18 5  o 132.4961 6.608305 180.5004       17.80510  199.6655       
28.85090  168.7108       22.62828  137.8837 10.36536 127.2673 8.797459 
10.61646       13.59544 
1 1 1 14  18 6  o 64.07214 12.83267 45.02184       16.13711  53.09621       
26.08554  40.01619       20.53883  67.91834 18.42107 59.53709 16.42829 
8.381248       24.68247 
1 1 1 14  18 7  o 98.79228 8.582014 102.2808       17.06975  87.32992       
27.50070  111.6511       21.77136  88.10445 15.93613 102.4755 10.60080 
-14.37110      19.13993 
1 1 1 14  18 8  o 80.12054 10.11163 68.81606       16.10779  70.70372       
25.57191  67.57442       20.73943  78.09243 16.61346 77.84331 13.59640 
0.2491226      21.46786 
1 1 1 14  18 9  o 34.85809 14.33044 6.956657       16.32296  -3.253625      
22.69545  17.89765       23.49353  35.09731 15.65553 44.60106 17.58630 
-9.503746      23.54514 
1 1 1 14  18 10 o 33.11380 13.19909 8.463954       13.36725  19.44156       
19.62988  -1.028065      18.25338  42.92609 16.30185 31.94683 14.15690 
10.97926       21.59093 
1 1 1 14  18 11 o 39.37108 14.48420 17.39736       15.24543  0.2851495E-01  
34.13097  21.72650       17.03978  40.15533 18.41790 42.71117 15.37208 
-2.555836      23.99000 
1 1 1 14  19 0  o 369.1375 5.228184 1392.280       39.24556  1360.590       
68.31135  1407.893       47.94829  363.0245 9.253489 370.7670 6.359465 
-7.742523      11.22808 
1 1 1 14  19 1  o 178.6429 4.663609 325.8549       16.94179  364.7253       
35.16079  314.1017       19.33419  187.8571 9.204063 175.2615 5.424855 
12.59560       10.68381 
1 1 1 14  19 2  o 140.4837 5.843654 202.1169       16.69405  206.9482       
29.87326  199.9229       20.13071  140.6615 10.51990 139.2987 7.130482 
1.362778       12.70874 
1 1 1 14  19 3  o 223.5271 5.246220 511.2563       23.84669  0.000000       
0.000000  511.2563       23.84669  ?        ?        223.5271 5.246220 
0.000000       5.246220 
1 1 1 14  19 4  o 122.3339 8.529569 155.6422       21.08625  160.8204       
26.02046  145.7367       35.98851  123.6844 10.44307 115.3332 15.75692 
8.351196       18.90339 
1 1 1 14  19 5  o 134.3016 6.394917 185.3959       17.46496  148.9755       
26.23042  214.4007       23.40817  118.6877 10.99278 143.7637 8.039155 
-25.07602      13.61871 
1 1 1 14  19 6  o 150.8560 6.410738 234.1752       19.66627  221.4939       
31.04277  242.6770       25.41764  144.8762 10.61069 152.7826 8.211180 
-7.906448      13.41679 
1 1 1 14  19 7  o 109.1918 8.149470 124.6097       17.96512  144.4745       
28.70075  111.8124       23.03615  115.6554 12.39647 102.1358 11.27945 
13.51958       16.76003 
1 1 1 14  19 8  o 105.3668 10.21305 118.7924       21.60844  0.000000       
0.000000  118.7924       21.60844  ?        ?        105.3668 10.21305 
0.000000       10.21305 
1 1 1 14  19 9  o 76.18218 11.63307 64.46536       17.45037  70.02064       
24.14579  58.39124       25.24821  76.77583 15.98514 68.73697 17.88988 
8.038864       23.99109 
1 1 1 14  19 10 o 43.27326 13.44770 21.97005       13.08267  13.21605       
19.48487  29.15600       17.65374  39.12649 15.81660 48.81767 15.68036 
-9.691177      22.27192 
1 1 1 14  19 11 o 96.37667 8.585466 101.5851       16.65004  158.5908       
37.67509  87.74912       18.56097  109.9060 17.43943 87.95933 10.58969 
21.94672       20.40282 
1 1 1 14  20 0  o 254.0323 4.930992 659.1779       25.47268  650.9258       
45.32468  662.9876       30.79631  251.1464 8.874754 254.4982 5.950624 
-3.351807      10.68509 
1 1 1 14  20 1  f 97.13490 6.485384 97.18232       12.73675  76.16371       
23.73152  105.6863       15.09502  83.72273 14.46190 101.1255 7.391645 
-17.40273      16.24140 
1 1 1 14  20 2  o 107.7383 6.666519 119.6372       14.53388  91.83681       
27.55647  130.3508       17.10666  91.61128 15.33380 112.2711 7.536537 
-20.65980      17.08581 
1 1 1 14  20 3  o 226.5112 5.154068 525.0466       23.74057  0.000000       
0.000000  525.0466       23.74057  ?        ?        226.5112 5.154068 
0.000000       5.154068 
1 1 1 14  20 4  o 48.11813 15.78222 24.53202       17.83188  22.93200       
22.16641  27.46653       30.01932  48.53654 17.52414 53.94010 20.23158 
-5.403553      26.76588 
1 1 1 14  20 5  o 39.91600 14.12193 15.38428       14.32235  22.72270       
22.53469  10.41100       18.55120  48.43531 17.64120 39.26018 15.58063 
9.175133       23.53653 
1 1 1 14  20 6  o 133.7105 6.965137 184.9886       18.87303  174.0812       
30.23728  191.9500       24.15615  127.6618 11.78032 135.5129 8.813807 
-7.851135      14.71255 
1 1 1 14  20 7  o 64.14825 12.41313 45.46378       15.60725  58.07852       
24.61140  36.97861       20.18494  70.55067 17.28958 56.72651 16.50377 
13.82415       23.90197 
1 1 1 14  20 8  o 54.39961 13.76179 33.86039       15.23504  16.93598       
24.54423  44.46834       19.43160  44.93098 17.89292 61.70980 15.50424 
-16.77882      23.67569 
1 1 1 14  20 9  o 75.39090 11.36777 63.25816       16.88638  76.91868       
28.85292  56.14140       20.82558  78.23270 18.43810 68.63519 15.31034 
9.597519       23.96602 
1 1 1 14  20 10 o 100.4607 6.996868 107.0377       14.20469  80.64080       
21.02023  129.2231       19.27054  83.20709 12.83587 109.1891 8.752433 
-25.98206      15.53591 
1 1 1 14  21 0  o 113.5253 5.888768 132.3044       13.54798  141.7953       
27.66736  129.3109       15.53836  115.8886 11.90964 112.0399 6.852888 
3.848625       13.74051 
1 1 1 14  21 1  o 201.9107 4.446079 416.3008       18.25525  436.6593       
37.29144  409.8845       20.93524  205.4577 8.925558 200.2037 5.142265 
5.253983       10.30090 
1 1 1 14  21 2  o 179.3938 5.346993 329.4330       19.50602  0.000000       
0.000000  329.4330       19.50602  ?        ?        179.3938 5.346993 
0.000000       5.346993 
1 1 1 14  21 3  o 25.46189 11.43043 -5.088469      12.30644  -14.31573      
24.63757  -2.020924      14.20551  34.13999 15.65494 29.05264 12.69431 
5.087351       20.15496 
1 1 1 14  21 4  o 39.22429 14.12780 14.38525       14.39544  4.341005       
24.02650  20.01014       17.97997  40.16167 17.00917 44.91796 15.83011 
-4.756287      23.23584 
1 1 1 14  21 5  o 137.2001 6.387170 193.6800       17.82027  187.0347       
28.45615  197.9676       22.85725  133.0760 10.60338 137.9619 8.183863 
-4.885910      13.39430 
1 1 1 14  21 6  o 103.8667 8.042379 112.6536       16.85443  117.7314       
27.35357  109.5459       21.39935  103.9583 13.23956 101.4786 10.52287 
2.479683       16.91203 
1 1 1 14  21 7  o 120.4379 7.140996 150.9427       17.41130  129.9545       
26.79722  166.2767       22.90497  109.2970 12.26861 125.5850 9.029197 
-16.28796      15.23303 
1 1 1 14  21 8  o 54.75917 13.70023 34.50503       15.21814  3.980805       
23.86962  55.40936       19.75338  38.65113 16.67375 69.29662 14.48415 
-30.64550      22.08630 
1 1 1 14  21 9  o 37.70113 14.55163 13.21039       15.80825  1.687874       
27.54934  18.86681       19.30227  39.07804 17.35091 42.63322 16.17131 
-3.555172      23.71846 
1 1 1 14  21 10 o 42.16922 13.29248 21.20173       12.73218  16.09065       
19.63131  24.91253       16.72734  40.09875 15.99165 45.07738 15.29652 
-4.978638      22.12954 
1 1 1 14  22 0  o 49.67698 11.12392 26.72552       10.95779  0.4694018      
23.66313  33.89274       12.36325  38.65300 16.63819 56.04588 11.23885 
-17.39288      20.07837 
1 1 1 14  22 1  o 233.3543 4.296857 556.0425       20.39005  542.9155       
40.68916  560.4443       23.56198  229.0592 8.735332 234.1133 4.949192 
-5.054016      10.03995 
1 1 1 14  22 2  o 142.5643 5.949790 208.4859       17.24900  0.000000       
0.000000  208.4859       17.24900  ?        ?        142.5643 5.949790 
0.000000       5.949790 
1 1 1 14  22 3  o 186.6891 5.298536 357.0466       20.11529  353.5318       
36.53658  358.5754       24.09591  183.8639 9.807344 186.7853 6.343795 
-2.921432      11.68023 
1 1 1 14  22 4  o 51.81918 13.48172 29.76017       14.34209  -0.3109984     
24.06399  46.32642       17.86094  38.26335 16.62343 64.60079 14.00030 
-26.33744      21.73355 
1 1 1 14  22 5  o 108.2057 7.857720 121.9203       17.17216  87.26540       
27.31431  144.5696       22.08188  88.24319 15.80179 117.3304 9.332068 
-29.08721      18.35168 
1 1 1 14  22 6  o 32.35854 13.51682 3.659456       14.84683  8.215133       
24.42804  0.9908457      18.69627  41.57638 17.35021 34.32160 14.78146 
7.254780       22.79301 
1 1 1 14  22 7  o 76.96854 10.20952 63.84800       15.58540  37.80203       
24.41827  81.75301       20.24566  56.76438 18.46104 86.47079 11.82338 
-29.70641      21.92265 
1 1 1 14  22 8  o 28.90727 12.64890 -0.8004669     14.14906  29.97866       
23.68794  -17.87298      17.64201  50.99006 18.14840 26.05657 12.36270 
24.93348       21.95907 
1 1 1 14  22 9  o 87.90202 11.15612 86.49599       19.49278  0.000000       
0.000000  86.49599       19.49278  ?        ?        87.90202 11.15612 
0.000000       11.15612 
1 1 1 14  22 10 o 32.38478 13.33848 7.568265       14.17412  -34.52927      
32.80604  17.23049       15.71679  32.20300 15.67120 39.20924 14.65221 
-7.006241      21.45399 
1 1 1 14  23 0  o 60.86026 9.006406 39.13776       10.80987  25.95761       
23.34592  42.73473       12.19604  51.02282 18.03217 63.45389 9.764761 
-12.43107      20.50633 
1 1 1 14  23 1  o 40.47072 12.70653 17.25196       11.64666  17.85964       
26.40111  17.10512       12.97769  47.86572 18.71261 40.80841 13.46765 
7.057304       23.05514 
1 1 1 14  23 2  o 193.8200 5.176787 384.6732       20.40377  0.000000       
0.000000  384.6732       20.40377  ?        ?        193.8200 5.176787 
0.000000       5.176787 
1 1 1 14  23 3  o 160.3870 5.670196 263.9290       18.49348  254.9631       
31.86536  268.4826       22.70928  155.8196 10.11109 161.4100 6.918654 
-5.590332      12.25161 
1 1 1 14  23 4  o 60.88421 12.32035 40.66037       14.73017  44.58101       
25.02784  38.58253       18.22004  62.29390 18.44938 58.53135 15.17963 
3.762550       23.89144 
1 1 1 14  23 5  o 126.7904 8.910851 168.4816       22.82911  200.2049       
29.53002  121.3589       35.99065  137.4120 10.65109 102.9453 17.83853 
34.46664       20.77640 
1 1 1 14  23 6  o 102.4760 7.852849 109.8769       16.23991  81.62831       
26.41750  127.0371       20.58996  84.54333 15.95085 109.6167 9.325533 
-25.07335      18.47688 
1 1 1 14  23 7  o 43.09990 14.21488 20.34834       14.45858  8.158019       
23.12925  28.16760       18.52410  40.08262 16.81614 49.66345 16.07382 
-9.580830      23.26263 
1 1 1 14  23 8  o 28.05172 12.48965 -2.824430      14.37284  -19.57510      
23.82382  6.761074       18.02199  30.73546 14.51816 35.60294 14.88385 
-4.867481      20.79197 
1 1 1 14  23 9  o 35.47754 13.35064 12.55839       13.09307  -11.41363      
19.56727  31.99319       17.61846  29.03627 13.53560 50.65523 15.58337 
-21.61896      20.64108 
1 1 1 14  23 10 o 51.47366 14.18785 33.53315       15.32850  -13.40128      
33.39363  46.06234       17.25359  36.01830 17.06576 60.51572 14.25511 
-24.49742      22.23619 
1 1 1 14  24 0  o 126.0047 5.274918 162.5339       13.51618  146.7352       
29.22982  166.8308       15.24382  117.3478 12.43861 127.5553 5.876838 
-10.20751      13.75704 
1 1 1 14  24 1  o 55.19615 11.82082 33.23963       12.86813  0.000000       
0.000000  33.23963       12.86813  ?        ?        55.19615 11.82082 
0.000000       11.82082 
1 1 1 14  24 2  o 133.2367 5.379951 181.9607       14.57651  211.3334       
31.85305  174.1804       16.39378  141.3229 11.17491 130.1870 6.192412 
11.13588       12.77594 
1 1 1 14  24 3  o 186.5988 5.309101 356.9959       20.14564  408.7618       
36.91470  335.0394       24.04136  198.0464 9.166024 180.3771 6.554298 
17.66930       11.26831 
1 1 1 14  24 4  o 110.3827 7.322930 126.5144       16.34423  141.0914       
27.36278  118.4286       20.37919  114.7192 11.90255 106.0077 9.556355 
8.711510       15.26416 
1 1 1 14  24 5  o 82.98560 12.36510 75.11989       20.22942  71.00507       
26.31946  81.05991       31.62247  78.43190 16.99297 82.71205 19.17446 
-4.280151      25.62071 
1 1 1 14  24 6  f 107.5336 7.431561 120.8008       16.15114  125.2230       
26.75373  118.2650       20.25947  106.9549 12.53869 105.4878 9.547879 
1.467049       15.76010 
1 1 1 14  24 7  o 67.68208 11.15481 50.57203       14.81784  33.86768       
23.15313  62.16052       19.28450  53.52084 17.99714 74.06577 13.29226 
-20.54493      22.37367 
1 1 1 14  24 8  f 48.91822 14.63786 28.52739       15.69485  -16.30537      
28.76386  47.53424       18.72857  34.70264 16.25342 62.91257 14.87358 
-28.20993      22.03173 
1 1 1 14  24 9  o 50.58709 12.50122 30.51442       12.78593  36.09710       
20.74483  27.09454       16.23657  52.45737 17.01338 46.71064 15.04141 
5.746738       22.70901 
1 1 1 14  24 10 o 65.96855 13.47912 53.98734       17.47131  3.896154       
32.61747  74.14172       20.68970  39.18549 17.98479 77.42622 13.63883 
-38.24072      22.57146 
1 1 1 14  25 0  o 87.51760 6.788391 79.27283       11.98677  109.0063       
26.22083  71.41738       13.47750  100.5627 13.13594 82.72204 8.116461 
17.84061       15.44118 
1 1 1 14  25 1  o 74.12832 9.062405 57.93581       13.37642  0.000000       
0.000000  57.93581       13.37642  ?        ?        74.12832 9.062405 
0.000000       9.062405 
1 1 1 14  25 2  o 165.3094 4.874831 279.8096       16.38734  274.1596       
35.10313  281.3841       18.53049  161.1362 10.77486 165.6154 5.502180 
-4.479187      12.09842 
1 1 1 14  25 3  o 84.23669 7.909501 74.16361       13.39017  112.4129       
28.94483  63.74920       15.10347  101.0605 14.49980 77.46806 9.807085 
23.59249       17.50495 
1 1 1 14  25 4  o 85.90014 8.874807 77.76845       15.27912  79.22270       
25.96601  76.99823       18.89695  83.71237 15.83331 84.58237 11.26676 
-0.8699951     19.43279 
1 1 1 14  25 5  o 93.92979 10.92770 94.86796       20.48282  106.1602       
27.14621  79.94033       31.21155  97.79008 14.05487 81.79725 19.10892 
15.99283       23.72109 
1 1 1 14  25 6  o 53.06009 13.50000 32.11735       14.60179  46.73041       
24.22036  23.77357       18.30170  62.26132 18.06814 46.59233 15.99794 
15.66899       24.13280 
1 1 1 14  25 7  o 72.03061 10.27922 56.79232       14.62958  63.14872       
23.17441  52.58084       18.86340  72.58949 16.11921 67.18124 14.24933 
5.408249       21.51447 
1 1 1 14  25 8  o 42.75030 14.59088 21.16057       15.22050  15.39098       
29.00228  23.35363       17.88074  44.01312 18.66660 44.70309 15.78292 
-0.6899757     24.44468 
1 1 1 14  25 9  o 25.48873 11.38773 -1.949352      12.05979  -8.611144      
20.31020  1.678529       14.98805  29.96941 13.90994 29.80832 13.03148 
0.1610889      19.06059 
1 1 1 14  26 0  o 61.05154 10.43006 40.04028       12.48392  0.000000       
0.000000  40.04028       12.48392  ?        ?        61.05154 10.43006 
0.000000       10.43006 
1 1 1 14  26 1  o 135.4889 5.170995 188.1310       14.24719  191.8082       
29.83473  187.0446       16.21558  134.5543 10.99987 134.9348 5.909587 
-0.3804779     12.48681 
1 1 1 14  26 2  o 165.2631 4.769951 279.6768       16.03028  293.2838       
33.49250  275.6335       18.25730  167.0240 9.905129 163.8792 5.478496 
3.144836       11.31925 
1 1 1 14  26 3  o 182.1580 4.937759 340.1033       18.29067  394.6141       
38.88856  324.6194       20.72626  193.6519 9.908447 177.7149 5.735162 
15.93700       11.44855 
1 1 1 14  26 4  o 47.19579 14.10664 24.76200       14.58239  3.739190       
23.92377  37.19017       18.39449  39.32539 16.82349 57.04353 15.46775 
-17.71814      22.85347 
1 1 1 14  26 5  o 108.5096 7.523370 123.0847       16.49840  111.8808       
26.76777  129.9484       20.95116  100.5027 13.43351 110.6768 9.397796 
-10.17405      16.39444 
1 1 1 14  26 6  o 102.4454 7.880399 110.6200       16.29100  76.48035       
25.72564  133.4763       21.04944  80.51598 16.27180 111.8120 9.343261 
-31.29605      18.76348 
1 1 1 14  26 7  o 96.11050 7.474007 97.72768       14.49262  87.81621       
21.86115  105.4991       19.35774  88.06303 12.56372 98.54832 9.789020 
-10.48528      15.92708 
1 1 1 14  26 8  o 39.04087 13.69958 17.21063       13.45588  25.60768       
23.41171  13.06845       16.44312  46.39918 17.75946 37.26774 14.70700 
9.131439       23.05849 
1 1 1 14  26 9  o 37.64177 14.03754 16.08838       14.41125  21.80644       
34.95214  14.91719       15.81843  45.17510 19.82088 37.27899 14.50928 
7.896111       24.56393 
1 1 1 14  27 0  o 36.84230 12.85116 13.24470       11.83241  0.000000       
0.000000  13.24470       11.83241  ?        ?        36.84230 12.85116 
0.000000       12.85116 
1 1 1 14  27 1  o 92.44785 6.768762 88.60146       12.63653  90.95917       
28.40318  88.01962       14.10986  89.91425 16.12663 91.90810 7.618170 
-1.993851      17.83549 
1 1 1 14  27 2  f 110.2057 5.960001 125.2908       13.30713  167.4924       
30.34057  115.2392       14.80731  124.8605 12.10133 105.4047 6.947146 
19.45576       13.95367 
1 1 1 14  27 3  o 64.07300 10.57151 44.38909       13.29368  62.22042       
28.38695  39.38002       15.04545  72.38551 19.03238 59.51477 12.81092 
12.87075       22.94235 
1 1 1 14  27 4  o 59.75258 14.18665 40.56538       16.98069  37.00091       
25.42368  43.43614       22.81604  56.65100 18.85745 60.80637 17.50500 
-4.155373      25.72991 
1 1 1 14  27 5  o 122.1994 6.708655 155.4045       16.60699  153.2819       
27.31176  156.6496       20.91833  118.8097 11.44598 121.8533 8.495008 
-3.043564      14.25397 
1 1 1 14  27 6  o 35.79590 13.81650 11.08470       14.25155  54.64054       
23.27279  -15.04843      18.02689  66.87587 17.05869 27.19722 12.77924 
39.67865       21.31450 
1 1 1 14  27 7  o 51.32730 13.21961 31.12584       13.88205  -17.07770      
21.84849  63.76078       17.97725  29.49495 13.92333 74.66946 12.26538 
-45.17451      18.55528 
1 1 1 14  27 8  o 42.91140 13.49277 22.30202       13.12714  43.53021       
22.18909  10.87174       16.28215  56.69297 17.49617 35.54745 14.42735 
21.14552       22.67739 
1 1 1 14  27 9  o 33.39736 13.51205 10.26135       14.23342  11.40557       
34.60661  10.02839       15.61532  41.31858 18.79626 33.93334 13.99104 
7.385246       23.43178 
1 1 1 14  28 0  o 159.5496 4.718277 260.6650       15.30843  200.9740       
31.23484  279.5361       17.56235  137.4299 11.27588 165.0908 5.231283 
-27.66095      12.43028 
1 1 1 14  28 1  f 42.14364 12.54564 19.35361       11.55098  38.29344       
26.33571  14.84218       12.85328  58.10737 19.18558 38.57388 13.39752 
19.53349       23.40043 
1 1 1 14  28 2  o 80.68206 7.883664 68.23112       12.76943  95.82907       
28.53467  61.32037       14.27898  92.14862 15.79611 75.94804 9.449815 
16.20058       18.40696 
1 1 1 14  28 3  o 95.75149 7.105444 95.50714       13.73662  66.61425       
29.49256  103.5116       15.52321  74.44035 19.31620 99.48863 7.733625 
-25.04828      20.80684 
1 1 1 14  28 4  o 68.77700 16.19052 55.30526       22.26840  0.000000       
0.000000  55.30526       22.26840  ?        ?        68.77700 16.19052 
0.000000       16.19052 
1 1 1 14  28 5  o 66.14593 11.78222 48.74908       15.26726  -3.871166      
24.86964  80.57286       19.34056  36.39370 16.29974 85.63982 11.38795 
-49.24613      19.88383 
1 1 1 14  28 6  o 27.48919 12.73541 -10.36156      16.91134  -1.727455      
21.04354  -26.10592      28.41663  33.96057 15.11712 32.41760 15.46788 
1.542973       21.62828 
1 1 1 14  28 7  o 41.50299 14.28500 19.98004       14.59659  31.91391       
26.42893  14.74212       17.50930  50.21196 18.95216 38.82030 15.22169 
11.39166       24.30811 
1 1 1 14  28 8  o 24.74311 11.22920 -3.746049      12.25815  2.942892       
19.63658  -8.016996      15.69095  33.30764 14.72544 26.31278 12.21746 
6.994856       19.13387 
1 1 1 14  28 9  o 24.90928 11.53660 -6.135782      13.86166  -55.04523      
32.98584  4.353694       15.27595  28.26136 14.10435 30.47940 13.24319 
-2.218040      19.34722 
1 1 1 14  29 0  o 29.31835 11.79869 4.790097       10.79018  24.15191       
25.91550  0.7297345      11.86777  50.03020 18.79146 27.83311 11.87657 
22.19710       22.22998 
1 1 1 14  29 1  o 51.12056 11.50599 28.82094       11.67242  85.02433       
27.90025  16.89677       12.85112  86.27868 16.50342 40.20870 13.40817 
46.06998       21.26363 
1 1 1 14  29 2  o 61.04300 10.21213 40.30777       12.22882  -17.96415      
27.33070  54.89413       13.67397  34.65731 16.10271 71.66230 9.626686 
-37.00499      18.76088 
1 1 1 14  29 3  o 152.9828 5.175374 240.6152       16.10037  229.9938       
35.84132  243.3004       18.02096  145.5227 12.22488 153.6290 5.768372 
-8.106247      13.51746 
1 1 1 14  29 4  o 45.84319 14.89097 23.55174       15.88904  20.59746       
25.33314  25.46757       20.40051  46.88101 18.32951 48.06625 16.86823 
-1.185246      24.91000 
1 1 1 14  29 5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 14  29 6  o 71.01812 13.05970 58.59191       18.16552  44.54723       
22.15483  87.40469       31.73256  59.10719 17.31735 81.38882 19.44000 
-22.28162      26.03467 
1 1 1 14  29 7  f 36.82937 13.82258 14.40357       14.01697  17.59215       
25.66371  13.04800       16.73331  42.58080 17.77771 37.06513 14.76973 
5.515667       23.11259 
1 1 1 14  29 8  o 37.11308 13.07003 16.35162       12.25457  29.22355       
19.66892  8.184735       15.66705  46.33900 16.53259 32.99940 13.84206 
13.33960       21.56221 
1 1 1 14  30 0  o 125.1508 5.421111 160.9420       13.79664  170.3400       
31.01476  158.6234       15.40474  125.5475 12.30633 124.0714 6.105642 
1.476089       13.73771 
1 1 1 14  30 1  o 81.37167 7.508507 69.30657       12.28434  46.96246       
25.70133  75.92252       13.98525  62.97311 18.70636 84.97247 8.195201 
-21.99936      20.42276 
1 1 1 14  30 2  o 75.42576 8.087759 60.01416       12.21153  68.65199       
28.48683  58.06952       13.51641  75.62221 18.64288 73.79073 9.207973 
1.831482       20.79288 
1 1 1 14  30 3  o 37.72349 12.97604 14.72697       12.04323  62.95874       
28.06674  3.842455       13.33306  71.66356 18.96425 30.82484 12.83697 
40.83871       22.90045 
1 1 1 14  30 4  o 32.66211 13.18701 6.924402       13.52634  31.44556       
24.62533  -3.670679      16.18690  52.03605 18.50578 29.55126 13.19866 
22.48479       22.73034 
1 1 1 14  30 5  o 52.20861 12.99913 31.77981       13.74774  30.00194       
23.46394  32.70918       16.96464  50.18159 18.04088 52.15158 15.11784 
-1.969997      23.53768 
1 1 1 14  30 6  o 45.12738 15.54630 24.53096       17.28988  41.31282       
21.46465  -6.476748      29.17686  56.33349 17.17754 36.71042 16.90820 
19.62307       24.10301 
1 1 1 14  30 7  o 65.97065 10.17459 49.62048       13.21064  20.45675       
21.36492  67.67292       16.80923  42.05836 16.71123 76.43943 11.14140 
-34.38107      20.08471 
1 1 1 14  30 8  o 58.26955 12.40302 42.07864       14.24572  12.54409       
32.73197  48.98037       15.82290  40.33376 18.32191 62.58057 12.86344 
-22.24681      22.38662 
1 1 1 14  31 0  o 29.45706 11.76645 5.314766       10.64417  23.03505       
23.17895  0.5792834      11.98231  48.06657 17.82689 27.77632 11.89508 
20.29025       21.43107 
1 1 1 14  31 1  o 158.2187 4.940031 257.0833       15.89421  276.7818       
33.91067  251.5374       17.99305  161.1517 10.40341 156.2594 5.662487 
4.892349       11.84460 
1 1 1 14  31 2  o 47.10314 12.58417 25.01045       12.28296  13.53623       
28.03074  27.73727       13.66475  45.08938 18.68134 49.42002 13.30286 
-4.330639      22.93379 
1 1 1 14  31 3  o 155.4350 5.039342 248.8357       15.92847  252.7847       
36.57429  247.9114       17.69468  151.8796 11.93821 154.9058 5.617247 
-3.026215      13.19373 
1 1 1 14  31 4  o 42.90531 13.76364 20.93062       13.60496  -7.359446      
24.53217  33.49587       16.34950  34.61956 15.77845 53.12291 14.65699 
-18.50335      21.53571 
1 1 1 14  31 5  o 107.9219 6.927008 122.9795       15.12191  89.50145       
24.31957  144.0824       19.30844  87.00480 14.23815 115.9768 8.240638 
-28.97195      16.45093 
1 1 1 14  31 6  o 57.78774 16.61640 44.12823       20.56934  46.76706       
28.23105  41.14214       30.03121  56.81654 19.84860 53.62194 20.21135 
3.194595       28.32782 
1 1 1 14  31 7  o 20.74725 9.927295 -12.78296      11.87922  5.065629       
19.78415  -22.84589      14.85517  33.75576 14.85895 21.12760 10.33821 
12.62815       18.10157 
1 1 1 14  31 8  o 30.16820 14.84704 -33.45447      32.04935  -33.45447      
32.04935  0.000000       0.000000  30.16820 14.84704 ?        ?        
0.000000       14.84704 
1 1 1 14  32 0  o 34.81471 12.51603 11.58844       11.29319  8.614397       
26.63522  12.24027       12.46951  42.61328 17.97040 36.02665 13.12265 
6.586632       22.25172 
1 1 1 14  32 1  o 68.48926 9.034479 50.19340       12.27568  24.89658       
28.91732  55.75419       13.55794  50.42385 19.61968 72.06470 9.481862 
-21.64085      21.79077 
1 1 1 14  32 2  f 67.63844 9.353821 49.33122       12.52139  26.28056       
28.80492  54.70170       13.90373  50.56112 19.60700 71.05340 9.890906 
-20.49228      21.96052 
1 1 1 14  32 3  o 85.77224 7.487984 77.73245       12.92964  77.63242       
30.79405  77.75386       14.24625  77.97043 19.47815 85.41869 8.306629 
-7.448265      21.17542 
1 1 1 14  32 4  o 49.05291 13.03255 28.23861       13.22099  17.40085       
23.94094  32.99390       15.85841  43.37555 17.53288 52.42839 14.42279 
-9.052849      22.70284 
1 1 1 14  32 5  o 65.93996 11.48231 49.97295       14.83733  54.65546       
22.39067  46.30705       19.81154  64.92699 16.82228 60.32606 15.91825 
4.600929       23.15987 
1 1 1 14  32 6  o 50.37938 16.62428 34.47389       19.77444  39.00178       
25.97768  28.23546       30.49229  51.80426 18.92990 46.75263 19.43674 
5.051624       27.13168 
1 1 1 14  32 7  o 26.90072 11.97367 0.1529754      13.19937  6.261565       
20.01232  -4.550524      17.56053  33.80192 14.90873 28.36597 13.08371 
5.435949       19.83567 
1 1 1 14  33 0  o 29.31060 12.84376 -1.354306      14.63467  -10.86371      
26.80519  2.683928       17.46780  35.83155 16.39322 33.72407 14.39997 
2.107479       21.81964 
1 1 1 14  33 1  o 46.13800 12.21818 24.07857       11.64482  -27.68414      
28.03255  34.87354       12.80161  32.32576 15.40715 55.80838 11.65616 
-23.48263      19.31958 
1 1 1 14  33 2  o 22.05434 10.30388 -9.544910      11.43988  -17.13613      
28.09054  -8.035555      12.52564  34.51788 16.13338 23.93836 11.04447 
10.57951       19.55163 
1 1 1 14  33 3  o 48.75312 12.32730 27.50032       12.22871  26.51941       
29.50585  27.70375       13.43709  49.41766 19.63760 48.62577 13.23472 
0.7918816      23.68108 
1 1 1 14  33 4  f 75.72527 15.84801 71.11440       23.62094  71.11440       
23.62094  0.000000       0.000000  75.72527 15.84801 ?        ?        
0.000000       15.84801 
1 1 1 14  33 5  o 80.27828 9.597939 71.99048       15.35784  77.07144       
22.00133  67.16197       21.44777  79.20473 14.18058 73.13752 14.92610 
6.067207       20.58829 
1 1 1 14  33 6  o 18.33279 8.984327 -18.92697      11.34660  -34.40165      
19.02443  -10.38307      14.13607  22.45526 11.12268 23.78775 11.22010 
-1.332489      15.79889 
1 1 1 14  33 7  o 26.80456 11.59772 3.022763       11.61788  -17.33335      
19.97929  13.42246       14.28049  26.13784 12.60097 34.48136 13.67451 
-8.343523      18.59507 
1 1 1 14  34 0  o 24.20115 11.39672 -13.56720      14.47782  -12.18001      
27.67275  -14.08999      16.98831  35.80214 16.48124 26.61569 12.47382 
9.186449       20.66948 
1 1 1 14  34 1  o 20.37225 9.731154 -13.78275      11.31145  -8.802839      
28.02886  -14.75158      12.36290  36.68718 16.77681 21.34080 10.18813 
15.34639       19.62802 
1 1 1 14  34 2  o 34.70224 14.81037 4.623879       18.46125  19.59556       
28.18883  -6.620501      24.42922  46.16429 18.88819 34.60231 15.76080 
11.56198       24.60013 
1 1 1 14  34 3  o 61.09040 10.50436 41.91576       12.57906  50.83925       
29.84729  39.98846       13.87112  60.55115 20.43353 58.82573 12.00206 
1.725422       23.69765 
1 1 1 14  34 4  o 78.07238 8.439637 66.50941       13.18580  51.49489       
21.87349  75.08011       16.52612  62.47346 16.83670 81.80916 10.15203 
-19.33570      19.66058 
1 1 1 14  34 5  o 32.46356 13.42030 8.322892       14.41950  22.31328       
24.54123  0.9464245      17.81991  42.99691 17.61167 31.07988 13.86730 
11.91702       22.41590 
1 1 1 14  34 6  o 46.90686 12.37089 27.89938       11.96950  -1.969861      
20.08372  44.35287       14.90600  30.66403 14.08801 59.20863 12.75653 
-28.54460      19.00530 
1 1 1 14  35 0  o 52.09006 16.63234 32.46291       19.88488  6.256210       
28.67741  56.73155       27.59665  41.75114 18.14290 66.64023 19.27129 
-24.88908      26.46786 
1 1 1 14  35 1  o 71.70983 8.422983 55.28038       12.04884  39.56301       
29.60737  58.40001       13.19050  55.79772 20.23650 73.44520 9.021421 
-17.64748      22.15631 
1 1 1 14  35 2  o 25.51415 11.20797 -0.8771410     11.20551  -38.02643      
27.25370  6.680521       12.29261  28.94199 14.12785 31.04245 12.55785 
-2.100458      18.90227 
1 1 1 14  35 3  o 55.25710 11.01848 35.15246       11.94685  65.52380       
29.82676  29.34879       13.03844  67.53428 20.17249 49.43837 12.85056 
18.09591       23.91790 
1 1 1 14  35 4  o 67.26991 10.06825 51.57169       13.34949  23.29648       
21.79838  68.53992       16.88649  43.46116 16.99987 76.83354 11.13208 
-33.37238      20.32040 
1 1 1 14  35 5  o 65.07942 10.15841 49.34941       13.00459  48.15410       
27.48268  49.69427       14.76186  54.13796 19.51795 63.96376 11.78310 
-9.825798      22.79894 
1 1 1 14  35 6  f 18.51630 9.016558 -15.38009      10.90989  -36.07467      
19.08792  -5.339498      13.29566  21.73024 10.82637 24.24342 11.25305 
-2.513180      15.61542 
1 1 1 14  36 0  f 42.97210 11.96767 21.18846       10.84509  66.21375       
30.34926  14.59736       11.61178  70.38871 20.16741 36.88893 12.73849 
33.49978       23.85358 
1 1 1 14  36 1  o 51.25601 13.96090 31.58177       14.94561  64.45950       
29.15473  19.86197       17.40677  68.81660 19.78100 42.27478 15.48829 
26.54181       25.12320 
1 1 1 14  36 2  o 58.38486 10.19095 38.48254       11.65929  51.33738       
30.65898  36.30916       12.60644  59.44520 20.68915 55.97073 11.46160 
3.474468       23.65183 
1 1 1 14  36 3  o 40.60396 12.46769 19.84648       11.28368  17.31030       
28.68919  20.31060       12.27278  42.63083 18.33514 40.93318 13.06627 
1.697651       22.51454 
1 1 1 14  36 4  o 77.51322 8.519507 66.99112       13.20737  38.09726       
22.23117  82.75173       16.41898  50.82302 17.62152 85.21095 9.645297 
-34.38793      20.08855 
1 1 1 14  36 5  o 42.10031 12.39570 22.85070       11.32655  -10.77919      
20.12233  38.44769       13.70364  27.80584 13.19571 54.80371 12.56453 
-26.99787      18.22071 
1 1 1 14  36 6  o 61.68941 9.644707 45.35839       11.70287  46.87186       
20.61611  44.63884       14.21518  53.84437 16.90558 58.55038 12.32876 
-4.706005      20.92360 
1 1 1 14  37 0  o 21.51852 10.07557 -9.096421      11.03980  -25.22142      
28.74601  -6.306651      11.95672  32.29337 15.44955 23.72784 10.88978 
8.565536       18.90174 
1 1 1 14  37 1  o 32.73351 14.04167 4.508562       16.74788  27.14003       
28.19080  -7.835987      20.82038  47.68480 19.11289 30.90319 14.25135 
16.78162       23.84122 
1 1 1 14  37 2  o 35.09601 13.01081 13.24321       12.34409  -51.26955      
28.41351  28.25232       13.70502  26.93979 13.38674 47.71727 13.51172 
-20.77748      19.02029 
1 1 1 14  37 3  o 18.54339 9.081232 -18.99171      11.53331  -18.95642      
26.68467  -18.99982      12.78958  30.71824 14.74579 19.92903 9.717172 
10.78922       17.65961 
1 1 1 14  37 4  o 52.88666 12.23292 35.28907       12.89430  24.96853       
26.94486  38.35452       14.68492  42.35163 17.97884 54.11488 13.41219 
-11.76325      22.43046 
1 1 1 14  37 5  o 46.21973 12.35087 28.14081       11.83016  7.556373       
19.86296  39.45669       14.72715  32.84376 14.64849 53.87213 13.47691 
-21.02837      19.90491 
1 1 1 14  38 0  o 32.47815 12.36585 10.07625       11.31341  27.62112       
26.07495  6.007423       12.55691  47.42400 18.58095 30.47937 12.55419 
16.94463       22.42452 
1 1 1 14  38 1  o 51.04839 10.58827 30.22174       10.63110  49.65487       
29.39443  27.29724       11.40301  57.21228 20.23218 47.79293 11.80285 
9.419350       23.42324 
1 1 1 14  38 2  o 47.42356 11.52523 27.21696       11.00575  6.253745       
28.91203  30.76939       11.90179  38.06715 17.26430 50.29209 11.83474 
-12.22494      20.93125 
1 1 1 14  38 3  o 75.70434 8.559700 64.63618       12.94594  61.56168       
29.54180  65.36696       14.40254  59.18941 20.32517 75.18038 9.642960 
-15.99097      22.49665 
1 1 1 14  38 4  o 48.65685 12.23939 30.79887       12.09925  56.08125       
24.33914  22.50040       13.94425  57.45551 18.40700 40.32535 13.95743 
17.13015       23.10038 
1 1 1 14  38 5  o 28.81619 11.83556 8.213716       11.12129  -13.28155      
19.28391  18.92586       13.61325  25.66898 12.37615 36.76527 13.65662 
-11.09630      18.43021 
1 1 1 14  39 0  o 92.39255 5.978703 90.26533       11.17278  33.65591       
30.55597  99.00210       12.00403  49.17021 19.83125 96.67720 6.137745 
-47.50699      20.75935 
1 1 1 14  39 1  f 48.53429 10.37177 27.68558       9.925991  -31.79893      
27.14814  36.86453       10.66436  28.59275 13.98783 56.71936 9.587688 
-28.12661      16.95828 
1 1 1 14  39 2  o 28.13356 12.17867 3.535028       12.82343  17.25353       
27.61217  -0.2373947     14.47962  39.88384 17.55536 27.56325 12.38449 
12.32059       21.48410 
1 1 1 14  39 3  o 19.95710 9.547408 -10.71440      10.97580  -40.30322      
23.36956  -2.340484      12.43229  23.92929 11.93105 24.58171 11.21471 
-0.6524239     16.37436 
1 1 1 14  39 4  o 50.71389 11.49005 33.25323       11.57511  40.20412       
20.78804  30.12973       13.93524  48.33181 17.02271 45.71320 13.81876 
2.618610       21.92557 
1 1 1 14  40 0  o 60.42714 8.291523 40.72274       9.920063  79.50151       
32.16343  36.64602       10.42847  69.29942 21.00402 56.59704 9.390125 
12.70238       23.00746 
1 1 1 14  40 1  o 39.60101 12.02342 19.75822       10.53271  0.000000       
0.000000  19.75822       10.53271  ?        ?        39.60101 12.02342 
0.000000       12.02342 
1 1 1 14  40 2  o 42.04602 14.68093 25.21935       15.44357  0.000000       
0.000000  25.21935       15.44357  ?        ?        42.04602 14.68093 
0.000000       14.68093 
1 1 1 14  40 3  o 42.28445 13.41182 25.37222       12.94631  0.000000       
0.000000  25.37222       12.94631  ?        ?        42.28445 13.41182 
0.000000       13.41182 
1 1 1 14  41 0  o 60.43691 7.926066 40.95324       9.506332  64.13860       
29.92645  38.35114       10.02560  59.53699 20.45635 57.86081 8.797847 
1.676182       22.26801 
1 1 1 14  41 1  o 30.44171 12.06429 9.838644       11.10837  -6.627943      
27.68449  12.99851       12.12744  32.04036 15.28219 33.05971 12.74957 
-1.019348      19.90218 
1 1 1 14  41 2  o 36.87852 12.59844 18.50189       11.34760  19.18416       
27.19478  18.35805       12.48660  37.48569 16.89532 36.51588 13.15724 
0.9698143      21.41413 
1 1 1 14  41 3  o 26.34838 11.06024 6.012709       10.01449  18.44773       
26.46317  3.934228       10.81911  35.89593 16.37083 25.57515 11.12875 
10.32078       19.79528 
1 1 1 14  42 0  o 66.74650 6.965477 49.40426       9.315050  40.00256       
30.68468  50.35865       9.776418  45.46639 19.23702 67.14456 7.276509 
-21.67817      20.56722 
1 1 1 14  42 1  o 18.77437 8.846578 -6.282975      8.748005  2.913629       
26.51512  -7.406307      9.266885  32.65845 15.39273 18.93437 8.976688 
13.72407       17.81901 
1 1 1 14  42 2  o 42.28178 12.12006 24.90058       10.95885  -13.25391      
26.26644  32.94196       12.05851  28.40045 13.86485 48.91728 12.17139 
-20.51683      18.44930 
1 1 1 14  43 0  o 32.19558 10.59932 13.20116       8.040212  17.87353       
28.67868  12.80259       8.376125  36.47317 16.78568 31.72630 10.82404 
4.746870       19.97295 
1 1 1 14  43 1  o 27.50209 11.05780 8.275560       9.468327  -14.01135      
26.74775  11.46832       10.12384  28.23628 13.82844 30.16800 11.64479 
-1.931719      18.07836 
1 1 1 14  44 0  o 24.29664 9.464388 6.190440       6.734993  2.943166       
28.17908  6.387177       6.936013  31.40756 15.09683 24.59218 9.597619 
6.815380       17.88934 
1 1 1 15  0  0  o 93.71616 13.47061 95.65599       24.13185  95.65599       
24.13185  95.65599       24.13185  93.71616 13.47061 93.71616 13.47061 
0.000000       0.000000 
1 1 1 15  0  1  o 83.61169 10.23434 74.74088       16.70353  74.74088       
16.70353  74.74088       16.70353  83.61169 10.23434 83.61169 10.23434 
0.000000       0.000000 
1 1 1 15  0  2  o 123.3571 9.576840 158.6794       23.69056  158.6794       
23.69056  158.6794       23.69056  123.3571 9.576840 123.3571 9.576840 
0.000000       0.000000 
1 1 1 15  0  3  o 346.6291 6.941761 1228.833       48.88695  1228.833       
48.88695  1228.833       48.88695  346.6291 6.941761 346.6291 6.941761 
0.000000       0.000000 
1 1 1 15  0  4  o 178.9863 8.095214 330.0721       29.32731  330.0721       
29.32731  330.0721       29.32731  178.9863 8.095214 178.9863 8.095214 
0.000000       0.000000 
1 1 1 15  0  5  o 191.3413 8.262389 377.4892       32.01250  377.4892       
32.01250  377.4892       32.01250  191.3413 8.262389 191.3413 8.262389 
0.000000       0.000000 
1 1 1 15  0  6  o 259.1316 7.385698 689.6093       38.84763  689.6093       
38.84763  689.6093       38.84763  259.1316 7.385698 259.1316 7.385698 
0.000000       0.000000 
1 1 1 15  0  7  o 50.26447 22.75989 39.79652       25.07269  39.79652       
25.07269  39.79652       25.07269  50.26447 22.75989 50.26447 22.75989 
0.000000       0.000000 
1 1 1 15  0  8  o 136.1372 10.17565 195.5532       27.80841  195.5532       
27.80841  195.5532       27.80841  136.1372 10.17565 136.1372 10.17565 
0.000000       0.000000 
1 1 1 15  0  9  o 20.71904 14.36047 -14.91312      20.93332  -14.91312      
20.93332  -14.91312      20.93332  20.71904 14.36047 20.71904 14.36047 
0.000000       0.000000 
1 1 1 15  0  10 o 17.94014 12.68726 -20.30334      18.91753  -20.30334      
18.91753  -20.30334      18.91753  17.94014 12.68726 17.94014 12.68726 
0.000000       0.000000 
1 1 1 15  0  11 o 17.41918 12.25665 -15.41199      16.95200  -15.41199      
16.95200  -15.41199      16.95200  17.41918 12.25665 17.41918 12.25665 
0.000000       0.000000 
1 1 1 15  1  0  o 153.3642 4.764944 239.8846       14.86049  235.4661       
20.91649  244.3881       21.11675  151.7071 6.780027 154.5632 6.718457 
-2.856064      9.544969 
1 1 1 15  1  1  o 95.39735 6.551497 93.54800       12.63246  85.80321       
17.36922  102.2448       18.40580  90.77410 9.552883 99.24721 9.225381 
-8.473106      13.28026 
1 1 1 15  1  2  o 194.9789 5.331844 388.3171       21.14056  408.4435       
30.46068  369.6139       29.36399  199.5202 7.507604 189.7762 7.608900 
9.743973       10.68922 
1 1 1 15  1  3  o 252.0016 4.927649 648.4984       25.25193  666.4178       
36.51306  632.0704       34.96074  254.8854 7.044528 248.2668 6.924852 
6.618561       9.878205 
1 1 1 15  1  4  o 164.0354 6.012189 275.5467       20.05496  284.4619       
28.85282  267.2132       27.89539  165.8448 8.584702 160.7309 8.565468 
5.113937       12.12701 
1 1 1 15  1  5  o 149.4039 6.959602 229.3347       21.14452  211.2164       
28.03010  253.2587       32.20934  142.3641 9.740697 155.7600 10.22571 
-13.39590      14.12254 
1 1 1 15  1  6  o 52.86856 17.19680 29.91642       21.18805  -3.412145      
45.64914  39.06817       23.92084  50.81956 22.46047 59.32978 18.14229 
-8.510227      28.87240 
1 1 1 15  1  7  o 44.47593 16.91143 16.76048       21.14190  11.05194       
23.59407  40.02024       47.62588  42.93038 17.38702 64.58916 25.16556 
-21.65878      30.58781 
1 1 1 15  1  8  o 45.59549 15.21648 21.99886       16.55004  -5.269993      
22.74108  52.70371       24.13132  35.26109 15.70411 67.55990 17.44413 
-32.29881      23.47162 
1 1 1 15  1  9  o 35.11420 13.89032 8.807102       14.70030  19.82190       
20.54848  -2.739752      21.03892  45.07470 16.77149 34.45881 15.23789 
10.61588       22.66001 
1 1 1 15  1  10 o 37.98626 13.70922 14.62097       13.56380  9.953432       
19.55226  18.95106       18.83223  38.35465 15.71619 43.05842 16.04900 
-4.703770      22.46261 
1 1 1 15  1  11 o 72.56627 9.123333 57.51450       13.16533  66.01399       
18.66109  49.09200       18.57638  75.63778 12.57386 63.66132 14.65313 
11.97646       19.30845 
1 1 1 15  2  0  o 119.7882 5.489577 146.4962       13.37225  150.5368       
19.15454  142.6546       18.67694  120.9274 7.831316 117.7020 7.848158 
3.225395       11.08707 
1 1 1 15  2  1  o 166.4798 4.704379 282.7252       15.92632  275.6464       
22.15583  290.2937       22.90950  164.1172 6.638691 168.4128 6.689429 
-4.295624      9.424472 
1 1 1 15  2  2  o 128.2475 6.613605 168.8568       17.18927  138.0857       
24.46994  198.8329       24.15178  115.0380 10.57873 138.7529 8.602049 
-23.71491      13.63469 
1 1 1 15  2  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 15  2  4  o 206.6899 5.870357 437.3462       24.67375  368.4508       
37.35349  490.6758       32.86397  188.3366 9.786876 218.4930 7.396583 
-30.15633      12.26753 
1 1 1 15  2  5  o 140.4477 7.260545 203.3785       20.66560  223.0174       
28.31021  180.9770       30.23589  146.3621 9.564404 131.1036 11.45619 
15.25845       14.92388 
1 1 1 15  2  6  o 211.5276 6.757603 459.7874       29.06773  342.7093       
55.01478  505.1298       34.23683  178.2222 15.32897 221.4019 7.604328 
-43.17970      17.11149 
1 1 1 15  2  7  o 80.35113 14.13207 70.79370       22.24831  58.64845       
25.26918  112.6746       46.92407  71.79581 17.47307 96.49921 24.00963 
-24.70340      29.69462 
1 1 1 15  2  8  o 144.4123 6.696814 215.0818       19.66635  213.1361       
28.00345  216.9753       27.62525  142.3443 9.732685 143.7358 9.504918 
-1.391556      13.60399 
1 1 1 15  2  9  o 42.70262 14.49177 19.34988       15.01360  17.11992       
21.21146  21.58868       21.25347  43.79567 16.86947 46.37189 17.09537 
-2.576221      24.01730 
1 1 1 15  2  10 o 21.40223 10.29999 -17.84308      13.21186  -33.49065      
18.53982  -1.697727      18.83241  23.20681 11.39537 32.55417 14.40512 
-9.347363      18.36741 
1 1 1 15  2  11 o 28.44740 12.34789 0.8717223      13.25380  5.781127       
21.53534  -2.121608      16.81569  36.72447 15.84006 30.17201 13.46593 
6.552460       20.79035 
1 1 1 15  3  0  o 214.5824 4.423421 469.4319       19.30207  490.7910       
27.78018  449.4959       26.83865  219.1210 6.234470 209.6894 6.294087 
9.431625       8.859128 
1 1 1 15  3  1  o 184.4256 4.509459 346.8788       16.91208  303.8665       
23.11101  396.4650       24.81431  172.3168 6.595382 196.9030 6.197242 
-24.58624      9.050131 
1 1 1 15  3  2  o 196.1624 7.480640 394.8275       29.84049  0.000000       
0.000000  394.8275       29.84049  ?        ?        196.1624 7.480640 
0.000000       7.480640 
1 1 1 15  3  3  f 233.0935 5.085526 555.0187       24.10557  543.8488       
34.20956  566.0344       33.97253  230.1661 7.308947 234.8733 7.112836 
-4.707214      10.19868 
1 1 1 15  3  4  o 44.24448 15.19388 19.39488       16.50853  16.58055       
26.51420  21.17663       21.09670  47.69374 18.72184 47.45052 17.10160 
0.2432251      25.35689 
1 1 1 15  3  5  o 108.1983 8.820617 121.8098       19.23866  153.5920       
26.60053  86.95137       27.85818  120.8829 10.93969 88.87667 16.00245 
32.00624       19.38441 
1 1 1 15  3  6  o 30.43115 13.94907 -12.08286      19.53584  75.84590       
47.24171  -30.22101      21.45639  79.84287 25.65131 27.26784 13.12365 
52.57504       28.81354 
1 1 1 15  3  7  o 52.16318 17.59086 28.87144       22.12021  15.88312       
25.03863  75.04801       47.21117  46.06024 18.15739 78.72993 25.67290 
-32.66970      31.44501 
1 1 1 15  3  8  o 83.97440 10.41934 75.20466       17.41028  90.77110       
25.58641  61.78264       23.75876  90.63337 14.36136 73.63461 16.29776 
16.99876       21.72247 
1 1 1 15  3  9  o 94.91231 8.380964 94.91885       16.00971  108.3089       
23.61180  83.52465       21.78114  99.76418 11.87176 87.06410 12.67437 
12.70008       17.36601 
1 1 1 15  3  10 o 30.53704 12.97366 2.674382       14.04978  9.758923       
20.10281  -4.090420      19.64393  38.53169 15.87933 32.25515 14.46344 
6.276539       21.47893 
1 1 1 15  3  11 o 28.08646 12.18200 0.8669773      12.88059  13.42093       
21.57003  -6.090671      16.05801  40.11542 16.48049 27.93725 12.74557 
12.17817       20.83401 
1 1 1 15  4  0  o 76.48770 7.801040 60.59182       11.96392  71.23178       
16.41184  48.52527       17.47748  82.55856 9.978056 67.16571 13.26680 
15.39285       16.60028 
1 1 1 15  4  1  o 82.80053 8.595779 71.21487       14.26246  46.73201       
25.92667  81.83884       17.07887  65.21218 18.62564 88.59866 9.634702 
-23.38648      20.97002 
1 1 1 15  4  2  o 144.5068 8.392601 215.4893       24.55622  0.000000       
0.000000  215.4893       24.55622  ?        ?        144.5068 8.392601 
0.000000       8.392601 
1 1 1 15  4  3  o 170.7199 7.814001 299.6438       27.12746  0.000000       
0.000000  299.6438       27.12746  ?        ?        170.7199 7.814001 
0.000000       7.814001 
1 1 1 15  4  4  o 96.94296 9.151073 97.98532       17.82672  90.37993       
28.75933  102.7309       22.71749  90.75227 16.17682 98.58091 11.55123 
-7.828644      19.87764 
1 1 1 15  4  5  o 138.9277 6.633115 198.1423       18.73949  192.4712       
27.46985  203.0788       25.62908  135.7501 10.02181 139.7918 9.064585 
-4.041718      13.51308 
1 1 1 15  4  6  o 134.7834 7.070470 187.3890       19.31160  172.3163       
28.45418  200.2608       26.29490  127.9151 11.04728 138.6078 9.384232 
-10.69279      14.49504 
1 1 1 15  4  7  o 209.4262 13.23205 468.4370       56.06232  0.000000       
0.000000  468.4370       56.06232  ?        ?        209.4262 13.23205 
0.000000       13.23205 
1 1 1 15  4  8  o 102.8828 8.337528 110.7321       17.29340  122.8483       
25.59600  100.5565       23.45688  106.8711 11.98413 96.46835 12.23213 
10.40275       17.12438 
1 1 1 15  4  9  o 56.64630 13.01446 36.16553       14.67655  36.69821       
21.12373  35.66842       20.40641  56.08561 17.02695 55.38598 16.71767 
0.6996269      23.86205 
1 1 1 15  4  10 o 20.83576 10.10621 -20.38628      13.34788  -23.49556      
18.95378  -17.32702      18.80067  25.75155 12.37895 27.22076 12.86995 
-1.469212      17.85704 
1 1 1 15  4  11 o 71.92581 9.775347 57.16314       13.92736  70.15800       
22.58143  49.18519       17.69341  75.93112 15.15540 64.08100 13.97178 
11.85012       20.61303 
1 1 1 15  5  0  o 161.3098 4.698855 265.3908       15.41360  267.2749       
21.24867  263.2984       22.39254  161.6588 6.463695 160.3919 6.865459 
1.266968       9.429416 
1 1 1 15  5  1  o 212.9023 4.639485 462.3867       20.08637  458.8421       
37.89057  463.7721       23.68884  211.1826 8.823107 213.0856 5.466864 
-1.903000      10.37949 
1 1 1 15  5  2  o 130.7717 5.975344 174.9182       15.89015  156.9612       
28.88156  182.7135       19.02912  122.3171 11.75614 133.3185 7.044025 
-11.00144      13.70493 
1 1 1 15  5  3  o 198.3448 5.718298 402.4224       23.06424  432.6343       
38.38236  385.3476       28.85487  204.6730 9.221885 193.7186 7.324811 
10.95442       11.77693 
1 1 1 15  5  4  o 28.43155 12.74453 -6.082090      15.23828  -25.09042      
22.65514  9.622682       20.59257  29.67279 14.05843 40.60727 16.31439 
-10.93448      21.53598 
1 1 1 15  5  5  o 165.1492 18.99108 302.3721       62.61802  302.3721       
62.61802  0.000000       0.000000  165.1492 18.99108 ?        ?        
0.000000       18.99108 
1 1 1 15  5  6  o 36.60650 16.31969 -6.771025      24.62530  0.000000       
0.000000  -6.771025      24.62530  ?        ?        36.60650 16.31969 
0.000000       16.31969 
1 1 1 15  5  7  o 74.06129 12.94196 59.76342       18.78187  88.27750       
33.61425  46.82065       22.64682  87.38938 19.41937 64.20773 17.05598 
23.18165       25.84605 
1 1 1 15  5  8  o 79.76819 10.65415 68.16489       16.85031  75.66202       
26.02759  62.75533       22.10894  81.61358 16.25377 74.68353 15.07718 
6.930046       22.16994 
1 1 1 15  5  9  o 109.0537 7.625752 124.4848       16.80476  119.5477       
24.48132  128.8840       23.10905  104.8849 11.67629 109.6030 10.49670 
-4.718071      15.70084 
1 1 1 15  5  10 o 35.45419 13.66660 10.98077       13.92966  31.50250       
20.87833  -5.482447      18.70019  51.36430 17.08838 30.90666 13.96271 
20.45764       22.06740 
1 1 1 15  5  11 o 81.05641 8.466619 71.08915       13.74965  67.65813       
20.31511  73.98939       18.67778  75.57956 13.72338 80.58849 11.74235 
-5.008926      18.06140 
1 1 1 15  6  0  o 156.4120 4.767010 249.5550       15.16239  242.9972       
20.77847  257.0243       22.17534  154.1109 6.630232 158.4584 6.881824 
-4.347504      9.556123 
1 1 1 15  6  1  o 125.0770 5.937299 159.9346       15.10142  170.6217       
28.77996  155.8742       17.73977  127.8483 11.18238 123.1329 7.115034 
4.715378       13.25403 
1 1 1 15  6  2  o 89.95563 7.793577 83.72852       14.11575  71.36362       
26.25135  88.75783       16.74214  80.59258 16.57135 92.37172 9.028359 
-11.77914      18.87116 
1 1 1 15  6  3  o 215.4948 5.479103 474.8300       24.01030  473.6783       
38.81170  475.5440       30.55997  214.2479 8.908296 215.2808 6.980658 
-1.032822      11.31757 
1 1 1 15  6  4  o 30.91986 13.28136 -0.1795282     15.01909  -9.555346      
22.46760  7.394902       20.19422  34.03013 15.34558 39.17446 16.00286 
-5.144333      22.17157 
1 1 1 15  6  5  o 100.0465 10.82553 105.5597       21.67310  14.96445       
55.42004  121.9165       23.54848  60.16889 25.66946 107.5637 10.91706 
-47.39484      27.89450 
1 1 1 15  6  6  o 85.83876 11.35171 78.45362       19.32898  113.1309       
27.38747  44.03925       27.28344  102.4983 13.46550 62.62149 19.41338 
39.87680       23.62623 
1 1 1 15  6  7  o 299.1373 5.120473 916.4305       31.14814  923.5487       
46.06356  910.4337       42.27955  299.0204 7.575395 297.2319 6.994931 
1.788422       10.31095 
1 1 1 15  6  8  f 97.21783 10.81259 100.9669       21.01389  68.66865       
46.99269  109.0396       23.49372  74.17221 25.62543 100.6727 11.69379 
-26.50045      28.16749 
1 1 1 15  6  9  o 26.04277 12.53135 -25.73547      19.53835  0.000000       
0.000000  -25.73547      19.53835  ?        ?        26.04277 12.53135 
0.000000       12.53135 
1 1 1 15  6  10 o 72.49918 10.75532 58.06024       15.37573  86.48183       
25.38016  41.58099       19.32586  85.80604 15.09661 58.64314 15.83487 
27.16290       21.87809 
1 1 1 15  6  11 o 68.84837 9.547660 52.36448       13.00744  68.04250       
19.09538  38.79190       17.76698  76.46454 12.72795 55.85714 15.22485 
20.60740       19.84431 
1 1 1 15  7  0  o 177.4287 4.536556 321.0446       16.36822  324.5525       
22.52884  317.1227       23.82153  178.1622 6.218304 176.0397 6.654381 
2.122467       9.107584 
1 1 1 15  7  1  o 255.3527 4.576924 665.1763       23.76652  703.0145       
45.79548  651.2288       27.80386  261.4214 8.614499 252.4950 5.415031 
8.926453       10.17507 
1 1 1 15  7  2  o 215.9350 5.153748 476.2778       22.63068  460.5212       
38.94348  484.3117       27.80794  211.3235 9.062238 217.5056 6.287050 
-6.182129      11.02956 
1 1 1 15  7  3  o 82.35651 10.00705 71.25101       16.41493  72.09681       
26.68560  70.73619       20.81974  80.72597 16.80249 81.17540 13.05495 
-0.4494324     21.27805 
1 1 1 15  7  4  o 156.0726 8.090127 251.7255       25.58826  0.000000       
0.000000  251.7255       25.58826  ?        ?        156.0726 8.090127 
0.000000       8.090127 
1 1 1 15  7  5  o 181.5315 17.49932 360.9753       63.79868  360.9753       
63.79868  0.000000       0.000000  181.5315 17.49932 ?        ?        
0.000000       17.49932 
1 1 1 15  7  6  o 111.2061 9.088099 129.0935       20.37232  131.1617       
27.80989  126.6983       29.92824  110.8217 12.56213 108.3249 13.90750 
2.496803       18.74101 
1 1 1 15  7  7  o 50.80414 14.84937 28.53464       16.30725  12.27406       
23.86946  42.76691       22.33117  43.54485 17.53987 61.34753 17.20430 
-17.80268      24.56898 
1 1 1 15  7  8  o 77.63460 14.16340 67.16941       21.53622  74.81077       
25.59950  48.66471       39.83707  81.08255 16.09361 64.88068 23.48231 
16.20187       28.46793 
1 1 1 15  7  9  o 133.1091 6.535106 183.6095       17.68934  212.1141       
26.14297  159.5381       24.02414  141.5457 9.131233 122.3451 9.736865 
19.20065       13.34863 
1 1 1 15  7  10 o 65.93178 11.24782 48.61077       14.53938  57.25898       
22.91909  42.78653       18.80848  68.33509 16.64679 59.60774 15.40527 
8.727352       22.68122 
1 1 1 15  7  11 o 67.80065 12.48236 53.61591       16.57590  27.93210       
38.58769  59.42765       18.35575  50.24855 21.42787 70.93538 13.21112 
-20.68683      25.17315 
1 1 1 15  8  0  o 91.76935 6.595594 86.61703       12.22635  82.66055       
16.58858  91.32220       18.09017  89.13196 9.288631 93.65411 9.636218 
-4.522148      13.38415 
1 1 1 15  8  1  o 67.92413 9.753419 48.55307       13.08548  49.59653       
24.25690  48.12478       15.54066  66.97205 17.58599 67.11982 11.81752 
-0.1477661     21.18776 
1 1 1 15  8  2  o 45.32222 14.19547 21.55231       14.54589  39.43327       
23.92323  11.06464       18.32163  60.08063 18.09342 39.95945 15.59773 
20.12118       23.88852 
1 1 1 15  8  3  o 91.52873 8.771534 87.21355       16.12622  83.36555       
24.27357  90.25378       21.57588  87.90174 14.05289 92.29372 11.76341 
-4.391983      18.32652 
1 1 1 15  8  4  o 93.04687 8.630511 90.15970       16.14425  87.60878       
24.20023  92.20534       21.67137  90.16219 13.62395 93.21059 11.69041 
-3.048401      17.95209 
1 1 1 15  8  5  o 87.71329 10.12499 81.05979       17.72799  64.17235       
28.47905  91.74352       22.65192  75.06358 18.72046 92.64902 12.32910 
-17.58543      22.41568 
1 1 1 15  8  6  o 207.6826 5.600271 442.0030       23.65160  427.8803       
34.00703  455.2343       32.91646  203.4229 8.220863 210.0368 7.706663 
-6.613831      11.26833 
1 1 1 15  8  7  o 115.8774 7.920294 139.6140       18.55160  124.6653       
27.70487  151.7652       24.97831  107.5022 12.93272 119.9278 10.34333 
-12.42559      16.56019 
1 1 1 15  8  8  o 52.62335 16.72759 31.12162       20.13054  30.87417       
23.54907  31.79318       38.79451  52.99341 18.14874 57.44450 22.61525 
-4.451088      28.99701 
1 1 1 15  8  9  o 75.90503 10.12515 62.27164       15.23900  59.34798       
21.49499  65.22609       21.60786  71.56853 15.23675 75.47044 14.60736 
-3.901917      21.10766 
1 1 1 15  8  10 o 38.69702 13.98598 15.62013       14.12440  -8.966249      
22.72122  31.10511       18.03183  32.71683 15.01392 50.83732 15.78599 
-18.12049      21.78567 
1 1 1 15  8  11 o 68.43288 9.546001 51.89736       12.92255  57.68593       
18.58095  46.47467       17.98415  69.44000 13.64516 61.46881 14.60360 
7.971188       19.98638 
1 1 1 15  9  0  o 230.4358 4.900226 541.8831       22.96241  528.3961       
27.27462  574.7099       42.55142  227.3641 5.899095 236.3404 8.853697 
-8.976334      10.63895 
1 1 1 15  9  1  o 120.1214 6.147805 148.0070       14.96699  107.3794       
27.70020  164.7587       17.78694  100.2975 13.95979 126.6077 6.934968 
-26.31023      15.58748 
1 1 1 15  9  2  o 63.43512 12.02358 43.27350       14.94245  54.18496       
25.05998  37.25394       18.61325  69.74644 17.65311 58.24312 15.45843 
11.50332       23.46477 
1 1 1 15  9  3  o 134.6871 6.472006 185.9940       17.72623  183.4544       
26.30290  188.1073       23.99335  132.7083 9.816272 134.7005 8.807810 
-1.992264      13.18851 
1 1 1 15  9  4  o 77.38030 13.04299 64.66920       19.79402  6.993872       
53.22555  73.92604       21.32340  57.27834 24.80341 82.83272 13.09437 
-25.55438      28.04767 
1 1 1 15  9  5  o 214.3542 7.073942 472.6912       30.83507  0.000000       
0.000000  472.6912       30.83507  ?        ?        214.3542 7.073942 
0.000000       7.073942 
1 1 1 15  9  6  o 81.77122 10.75733 71.08459       17.45363  88.15372       
26.37525  57.78682       23.27987  89.55090 15.01507 71.69796 16.33188 
17.85294       22.18519 
1 1 1 15  9  7  o 31.86155 13.60864 1.080595       15.60891  -17.59001      
22.55499  18.24034       21.62314  31.26986 14.56190 45.32577 17.13430 
-14.05591      22.48629 
1 1 1 15  9  8  o 42.57056 16.57991 14.94852       20.66617  -1.943006      
24.20087  60.43781       39.71468  37.30805 16.42809 69.89912 23.57047 
-32.59108      28.73063 
1 1 1 15  9  9  o 124.3619 6.852732 161.2558       17.26327  141.3208       
24.39619  181.2490       24.43175  114.4299 10.60462 130.5592 9.262404 
-16.12928      14.08013 
1 1 1 15  9  10 o 45.05277 14.22073 23.69022       14.56869  22.48825       
24.44474  24.35233       18.14292  46.21469 18.02291 45.86492 15.91807 
0.3497734      24.04600 
1 1 1 15  9  11 o 36.83892 13.23866 14.81917       12.63375  19.97060       
18.68954  10.48451       17.14400  42.10302 15.92638 36.03713 14.73575 
6.065891       21.69773 
1 1 1 15  10 0  o 126.4163 7.929545 164.7132       20.28141  154.1647       
27.67884  176.9432       29.80335  121.4228 11.34107 130.1417 11.37583 
-8.718956      16.06329 
1 1 1 15  10 1  o 243.0059 4.578844 602.5598       22.62684  607.5609       
43.73856  600.7323       26.43966  242.8327 8.857391 242.4772 5.362081 
0.3554993      10.35400 
1 1 1 15  10 2  o 68.43781 11.06676 49.85635       14.87599  69.77865       
23.00048  35.52970       19.50472  80.13554 14.65436 56.93243 16.11840 
23.20311       21.78424 
1 1 1 15  10 3  o 166.8490 5.714986 284.9520       19.39055  281.0500       
29.36576  287.9686       25.81993  164.7294 8.798181 167.3049 7.589182 
-2.575485      11.61911 
1 1 1 15  10 4  o 158.8862 7.234735 259.6889       23.37547  268.0579       
58.72799  258.1135       25.48089  155.3564 18.98432 158.0218 7.954976 
-2.665405      20.58363 
1 1 1 15  10 5  o 74.63839 11.10862 59.46635       16.34671  78.84666       
26.15111  47.03742       20.94241  84.40342 15.81746 64.83582 15.98526 
19.56760       22.48824 
1 1 1 15  10 6  o 120.4630 7.477039 150.2654       18.22571  154.7739       
27.50462  146.7359       24.33546  120.8811 11.32098 118.1092 10.23335 
2.771858       15.26061 
1 1 1 15  10 7  o 69.31030 12.62181 52.59591       17.13437  51.92031       
24.85476  53.20776       23.65319  67.01894 17.89918 68.08273 17.10588 
-1.063789      24.75867 
1 1 1 15  10 8  o 102.4672 8.768522 110.6254       18.09503  120.6659       
25.32394  100.1512       25.86512  105.4916 12.01948 95.08443 13.77831 
10.40721       18.28414 
1 1 1 15  10 9  o 53.37542 13.53993 32.75771       14.71911  64.37701       
21.32726  3.998713       20.33976  74.74873 14.55421 36.29188 15.51863 
38.45685       21.27564 
1 1 1 15  10 10 o 105.3888 7.470726 117.7036       15.90689  122.0408       
25.85759  115.0629       20.17637  103.6987 12.51508 102.7397 9.775073 
0.9590530      15.88015 
1 1 1 15  10 11 o 50.32732 14.33025 31.40747       15.37158  8.141621       
33.88019  37.43806       17.24910  42.33194 18.98740 54.49291 15.06297 
-12.16097      24.23663 
1 1 1 15  11 0  o 160.3669 9.933420 266.6132       32.23458  266.6132       
32.23458  0.000000       0.000000  160.3669 9.933420 ?        ?        
0.000000       9.933420 
1 1 1 15  11 1  o 74.93829 10.65398 59.32002       15.77840  56.63940       
25.72349  60.93693       19.97812  71.33745 17.79207 75.16183 13.57028 
-3.824379      22.37655 
1 1 1 15  11 2  o 71.92988 9.671979 54.45402       13.78884  68.47794       
25.63502  48.74466       16.35658  78.70705 16.54192 67.26950 12.41437 
11.43755       20.68216 
1 1 1 15  11 3  o 104.9908 7.595198 114.0118       16.10646  104.4997       
24.92921  120.8274       21.10211  98.99329 12.67478 107.5215 9.757413 
-8.528168      15.99554 
1 1 1 15  11 4  o 150.5654 7.437024 233.4247       22.77067  243.7671       
56.30411  231.4023       24.89762  147.8127 19.18408 149.4891 8.221844 
-1.676483      20.87169 
1 1 1 15  11 5  o 112.1330 7.686821 130.2812       17.42217  152.0988       
27.24405  115.1861       22.66142  119.9597 11.30146 104.4325 10.82825 
15.52722       15.65164 
1 1 1 15  11 6  o 102.5255 8.949574 109.9663       18.47183  133.1263       
28.72261  93.63160       24.12182  111.2880 12.93299 93.03890 13.11326 
18.24911       18.41792 
1 1 1 15  11 7  f 46.94171 15.89457 23.25319       18.06052  16.68531       
24.52732  31.03194       26.69271  45.78932 17.99634 54.15855 19.26627 
-8.369228      26.36394 
1 1 1 15  11 8  o 125.3918 7.174533 163.6494       18.21828  180.8276       
27.34473  149.9382       24.43001  130.2069 10.41449 118.5985 10.22970 
11.60840       14.59823 
1 1 1 15  11 9  o 146.2615 6.090186 221.7390       18.11390  210.5741       
26.58838  231.4092       24.74471  140.4507 9.362945 148.0372 8.252604 
-7.586502      12.48079 
1 1 1 15  11 10 o 44.10112 13.46198 22.80372       13.17804  8.574260       
19.80708  34.10485       17.65172  37.11321 15.56556 52.71640 15.46114 
-15.60319      21.93932 
1 1 1 15  12 0  o 132.8013 5.577968 180.2492       15.06363  143.0939       
28.13292  195.1833       17.83586  116.6584 12.03169 138.0876 6.351670 
-21.42921      13.60534 
1 1 1 15  12 1  o 310.3465 6.600543 987.0278       41.65604  931.6556       
53.52311  1072.095       66.34019  300.6231 8.755230 321.7352 10.13974 
-21.11215      13.39658 
1 1 1 15  12 2  f 79.37347 8.114645 65.54189       12.91356  43.50933       
24.85687  73.68670       15.11312  62.60251 18.34345 84.00462 8.986470 
-21.40211      20.42643 
1 1 1 15  12 3  o 117.0956 7.166803 141.4786       16.98330  104.0180       
25.19961  172.6536       22.98844  98.64555 12.86873 128.9374 8.820542 
-30.29181      15.60148 
1 1 1 15  12 4  o 67.26185 11.69489 48.71362       15.41546  34.61939       
24.82696  57.55685       19.66566  56.61700 18.62475 72.55224 13.83420 
-15.93524      23.20057 
1 1 1 15  12 5  o 138.8048 6.722969 198.1284       18.97654  188.7830       
29.52928  204.7030       24.76797  133.8506 10.94452 140.2959 8.724696 
-6.445251      13.99653 
1 1 1 15  12 6  o 134.0771 7.009184 185.7789       19.04420  222.6743       
30.30613  161.7023       24.48170  145.5051 10.30911 124.1040 9.779984 
21.40115       14.21006 
1 1 1 15  12 7  o 91.07449 10.28368 88.27489       18.71213  64.30271       
24.79711  119.9788       28.51701  74.88094 16.70877 104.6809 13.72718 
-29.79998      21.62448 
1 1 1 15  12 8  o 46.90337 15.15760 24.42690       16.47722  47.87742       
25.06901  6.590589       21.86318  63.24578 18.39006 38.86794 16.33018 
24.37783       24.59409 
1 1 1 15  12 9  o 45.92838 14.41591 24.20868       14.99225  18.32841       
22.73954  28.73009       19.93975  44.20234 17.34229 49.65346 16.70159 
-5.451115      24.07692 
1 1 1 15  12 10 o 106.9191 6.660792 120.4432       14.41020  124.6872       
20.91537  116.6081       19.88208  106.7206 9.745042 103.3112 9.572506 
3.409439       13.66011 
1 1 1 15  13 0  o 203.7765 5.440193 424.3709       22.54342  386.6194       
36.60666  447.4348       28.61274  193.5568 9.300373 208.9579 6.733629 
-15.40117      11.48210 
1 1 1 15  13 1  o 124.4278 9.382417 160.8789       23.56551  164.9102       
29.07050  153.1527       40.24478  125.3073 11.53801 118.4603 17.21000 
6.847031       20.71979 
1 1 1 15  13 2  o 27.02411 11.82260 -2.225957      12.35554  -13.10444      
23.71109  1.828925       14.47626  33.95165 15.48881 31.44074 13.25297 
2.510912       20.38490 
1 1 1 15  13 3  o 235.2478 6.110404 567.4114       29.23123  386.4284       
64.49312  614.2036       32.79302  188.2997 17.02691 244.5887 6.593159 
-56.28899      18.25885 
1 1 1 15  13 4  o 61.65172 12.58651 41.44834       15.24598  49.80308       
24.53020  36.18968       19.46132  66.30958 17.81279 57.03599 16.08395 
9.273586       23.99977 
1 1 1 15  13 5  o 36.15449 14.31415 8.540777       15.62358  37.29674       
24.61271  -10.86599      20.21958  58.02560 18.50179 31.39614 14.31524 
26.62945       23.39321 
1 1 1 15  13 6  o 94.68004 9.055614 94.10239       17.22258  88.63807       
27.96248  97.44232       21.86131  89.01481 16.03753 95.47553 11.49058 
-6.460724      19.72906 
1 1 1 15  13 7  o 47.29675 15.83573 24.04163       17.92505  24.99822       
24.15450  22.86909       26.74226  49.79622 18.24482 49.61326 18.98283 
0.1829605      26.32910 
1 1 1 15  13 8  o 112.9852 7.453185 133.4939       17.02820  128.6318       
25.29302  137.5244       23.02892  108.7970 11.61164 113.4042 10.09149 
-4.607170      15.38403 
1 1 1 15  13 9  o 42.57292 16.44691 17.52775       20.20856  54.81879       
24.75506  -56.96897      34.98890  66.21465 17.93935 31.53497 15.51839 
34.67968       23.72005 
1 1 1 15  13 10 o 38.74723 13.21922 16.93000       12.49327  28.18865       
18.41054  7.320395       17.00890  47.85560 16.04862 34.54753 14.45249 
13.30807       21.59705 
1 1 1 15  14 0  o 117.4329 6.909934 141.8967       16.42846  124.4525       
27.27000  151.8344       20.58274  108.4328 12.60229 121.1537 8.406411 
-12.72083      15.14878 
1 1 1 15  14 1  o 123.6613 7.383569 157.6810       18.48267  153.1201       
28.67579  160.9223       24.17390  120.5437 11.85141 124.3296 9.636662 
-3.785934      15.27485 
1 1 1 15  14 2  o 122.0063 5.994450 152.5124       14.87247  152.9291       
28.65695  152.3588       17.39909  120.3152 11.86731 121.5657 7.068756 
-1.250542      13.81305 
1 1 1 15  14 3  o 161.5227 6.892877 268.1936       22.64048  171.5753       
55.37973  287.5826       24.80838  121.0553 23.34263 167.1491 7.298658 
-46.09380      24.45708 
1 1 1 15  14 4  o 144.3548 6.253330 213.9415       18.35667  185.7602       
28.54597  233.8119       23.97001  132.9095 10.65127 150.2911 7.870391 
-17.38162      13.24359 
1 1 1 15  14 5  o 154.7026 6.262450 245.8961       19.70123  295.4438       
31.03248  212.4432       25.49896  168.3775 9.096946 142.8114 8.823499 
25.56604       12.67314 
1 1 1 15  14 6  o 141.7912 6.842082 207.3201       19.72828  219.3707       
31.73256  199.7277       25.18766  143.9357 10.92284 138.1914 9.012377 
5.744339       14.16091 
1 1 1 15  14 7  o 101.1798 8.296617 107.3665       16.92032  120.1775       
25.06521  96.64101       22.93441  105.4599 11.89563 94.28320 12.25147 
11.17667       17.07644 
1 1 1 15  14 8  o 39.80498 14.53459 15.57828       15.31072  24.55593       
23.12055  8.566514       20.43293  48.32365 17.82777 38.63066 15.97305 
9.692989       23.93675 
1 1 1 15  14 9  o 41.29491 16.44200 15.13870       20.72168  4.675925       
25.43804  35.77477       35.72512  39.14589 17.04896 54.84452 21.66697 
-15.69863      27.57036 
1 1 1 15  14 10 o 54.93839 11.93840 35.23608       12.95641  50.10299       
19.94186  24.37626       17.04381  63.15583 15.61547 44.91523 15.43744 
18.24060       21.95809 
1 1 1 15  15 0  o 57.48009 12.05608 35.72243       13.64219  19.68147       
21.84960  45.97102       17.46467  46.99674 17.33230 64.98468 13.65011 
-17.98794      22.06205 
1 1 1 15  15 1  o 141.6555 5.424182 205.2491       15.62497  211.7855       
30.69000  202.9620       18.15392  142.3073 10.68315 140.7100 6.344450 
1.597260       12.42504 
1 1 1 15  15 2  o 64.79378 13.03890 45.72848       16.58523  12.84677       
25.90592  68.56611       21.58974  45.43569 18.28288 79.42606 13.87178 
-33.99037      22.94972 
1 1 1 15  15 3  o 55.33583 13.48197 33.71956       15.03132  22.81817       
26.13661  39.10706       18.37393  50.28381 18.87444 59.29242 15.17523 
-9.008610      24.21843 
1 1 1 15  15 4  o 75.20766 10.32460 60.08321       15.37353  81.79868       
25.75760  48.06670       19.16064  86.08285 15.27357 65.78159 14.69438 
20.30126       21.19449 
1 1 1 15  15 5  o 110.3716 7.708088 126.4856       17.19175  109.5944       
25.85823  139.8665       23.01501  100.8105 12.91027 115.3334 9.909300 
-14.52287      16.27481 
1 1 1 15  15 6  o 69.59010 11.86428 52.67197       16.18745  52.68731       
24.92952  52.66080       21.28505  67.40805 17.88962 68.14639 15.68483 
-0.7383423     23.79185 
1 1 1 15  15 7  o 71.69706 11.63003 56.16186       16.37545  18.89539       
24.41596  86.63049       22.07705  46.34787 18.02966 88.92459 12.55813 
-42.57672      21.97215 
1 1 1 15  15 8  o 95.82900 11.70211 100.8000       22.33035  0.000000       
0.000000  100.8000       22.33035  ?        ?        95.82900 11.70211 
0.000000       11.70211 
1 1 1 15  15 9  o 45.05795 16.87784 22.24052       20.87834  46.93224       
26.14460  -21.22365      34.68742  60.03359 19.06113 37.06768 17.51201 
22.96591       25.88430 
1 1 1 15  15 10 o 24.37000 11.08311 -4.607048      12.02149  -36.82359      
17.72650  22.82644       16.35777  21.39690 10.62235 43.54876 15.11465 
-22.15185      18.47395 
1 1 1 15  16 0  f 121.0281 6.321338 150.4996       15.50376  153.5261       
26.42818  148.9115       19.14399  121.0390 10.85245 120.0401 7.886386 
0.9989090      13.41532 
1 1 1 15  16 1  o 83.57602 8.003782 72.61790       13.43644  91.27934       
26.62174  66.23920       15.56432  91.64372 14.78853 79.32682 9.861272 
12.31690       17.77485 
1 1 1 15  16 2  o 90.18629 12.69500 87.24447       22.63784  0.000000       
0.000000  87.24447       22.63784  ?        ?        90.18629 12.69500 
0.000000       12.69500 
1 1 1 15  16 3  o 32.80604 12.86439 7.218851       12.50677  -2.114908      
24.96978  10.34467       14.45003  38.46413 16.81773 36.48147 13.95498 
1.982658       21.85355 
1 1 1 15  16 4  o 199.9138 5.360266 409.4506       21.79116  397.9582       
34.21401  417.2943       28.26570  195.9319 8.587116 201.3188 6.904371 
-5.386810      11.01857 
1 1 1 15  16 5  o 40.82854 14.87383 15.49256       16.02044  -6.563758      
24.74914  31.39985       21.01801  36.51786 16.31451 53.41704 17.10427 
-16.89917      23.63725 
1 1 1 15  16 6  o 30.97513 13.42704 -0.5450163     15.62972  3.129051       
24.34367  -3.121714      20.38657  39.52778 16.94186 34.07750 15.03800 
5.450279       22.65322 
1 1 1 15  16 7  o 127.6961 9.425825 172.6597       24.30342  0.000000       
0.000000  172.6597       24.30342  ?        ?        127.6961 9.425825 
0.000000       9.425825 
1 1 1 15  16 8  o 46.55029 14.25213 24.83698       14.75699  28.09463       
22.09439  22.21334       19.82812  49.71346 17.54510 45.56018 16.55494 
4.153286       24.12254 
1 1 1 15  16 9  o 34.66295 14.39562 7.408116       16.70157  7.217023       
19.46692  7.941054       32.50978  36.30394 15.33926 43.09528 19.00512 
-6.791348      24.42309 
1 1 1 15  16 10 f 48.67004 14.20296 29.44400       14.92898  1.664125       
31.13748  37.73607       17.01177  39.21344 17.83500 54.63775 14.89996 
-15.42431      23.23996 
1 1 1 15  17 0  o 82.25126 8.352816 70.45741       13.77715  109.3083       
25.98928  55.27253       16.24799  101.2320 12.91941 71.93884 11.49358 
29.29317       17.29200 
1 1 1 15  17 1  o 43.01659 12.87271 19.79185       12.13758  28.36727       
24.31932  16.94719       14.00679  52.82949 18.42411 41.19638 13.99735 
11.63311       23.13815 
1 1 1 15  17 2  o 116.1416 9.897957 141.3254       23.15372  0.000000       
0.000000  141.3254       23.15372  ?        ?        116.1416 9.897957 
0.000000       9.897957 
1 1 1 15  17 3  o 96.20573 7.401237 95.97536       14.36850  117.5424       
28.12357  88.35732       16.71461  104.3201 13.57903 91.83292 9.068956 
12.48717       16.32900 
1 1 1 15  17 4  o 94.65644 8.462939 93.58489       16.11825  108.4393       
25.14684  83.22659       20.99905  100.4299 12.58982 88.01994 12.04815 
12.40993       17.42588 
1 1 1 15  17 5  o 91.11441 9.296508 87.44243       16.98368  76.28746       
27.12124  94.63876       21.78366  81.94521 16.83857 93.93515 11.65418 
-11.98994      20.47822 
1 1 1 15  17 6  o 85.02967 9.587250 76.76137       16.28802  81.51269       
26.37054  73.83064       20.71093  84.76643 15.88192 82.04496 12.83414 
2.721466       20.41936 
1 1 1 15  17 7  o 96.61754 8.714503 98.77408       16.93754  104.1481       
25.63223  94.60882       22.56624  96.79733 13.37952 92.82252 12.25476 
3.974815       18.14362 
1 1 1 15  17 8  o 90.80061 10.06645 89.48852       18.27452  65.97668       
24.60616  118.4087       27.28983  73.79253 16.77728 102.2252 13.45466 
-28.43270      21.50593 
1 1 1 15  17 9  o 20.39598 9.866581 -17.75902      12.50931  -17.02467      
18.71835  -18.35169      16.81586  26.80614 12.72296 24.71822 11.82312 
2.087925       17.36836 
1 1 1 15  17 10 o 24.39020 11.36590 -8.712378      13.77829  0.5588751      
30.18526  -11.15248      15.48565  38.17528 17.43902 25.20168 11.84246 
12.97360       21.07992 
1 1 1 15  18 0  o 94.70399 7.534729 92.87099       14.39066  93.53988       
25.88447  92.57176       17.31289  93.01657 14.12885 94.14776 9.158858 
-1.131187      16.83773 
1 1 1 15  18 1  o 36.57936 13.68699 11.14257       13.72293  0.000000       
0.000000  11.14257       13.72293  ?        ?        36.57936 13.68699 
0.000000       13.68699 
1 1 1 15  18 2  o 44.32155 12.79292 21.29921       12.17145  10.41207       
22.25494  25.94538       14.53843  41.84574 16.90785 48.68728 13.96092 
-6.841541      21.92676 
1 1 1 15  18 3  f 155.5970 5.309319 248.0252       16.79931  259.4086       
31.39524  243.4583       19.88568  157.4047 9.858042 153.9084 6.353698 
3.496231       11.72819 
1 1 1 15  18 4  o 174.5492 7.447414 314.7011       26.43473  0.000000       
0.000000  314.7011       26.43473  ?        ?        174.5492 7.447414 
0.000000       7.447414 
1 1 1 15  18 5  o 90.05681 8.861477 85.27775       16.01818  97.54791       
25.21412  76.97459       20.74150  94.44875 13.51309 84.15946 12.49923 
10.28929       18.40745 
1 1 1 15  18 6  o 76.59629 10.34464 63.03045       15.70074  49.94814       
23.27441  73.95567       21.26922  65.30868 17.26322 81.78375 13.24156 
-16.47507      21.75678 
1 1 1 15  18 7  o 71.90443 11.05307 56.61761       15.64442  65.46239       
24.17671  50.24633       20.51951  74.54387 16.39486 65.50598 15.62325 
9.037888       22.64680 
1 1 1 15  18 8  o 27.29163 12.74868 -12.75204      17.50133  -1.961145      
28.06984  -19.61475      22.38510  38.46833 17.26660 29.55476 13.99437 
8.913578       22.22561 
1 1 1 15  18 9  o 53.22621 12.42764 33.40893       13.20717  47.57281       
19.81420  22.08490       17.71683  61.43370 15.77798 43.45277 15.67021 
17.98093       22.23736 
1 1 1 15  18 10 o 52.18362 12.41989 32.98751       12.98923  15.07627       
19.85020  46.40007       17.17741  38.88432 15.87305 60.78830 14.15930 
-21.90397      21.27063 
1 1 1 15  19 0  o 127.2517 5.599957 165.8211       14.49104  121.6899       
25.98086  185.7497       17.45901  106.9971 12.15651 134.5390 6.381458 
-27.54195      13.72966 
1 1 1 15  19 1  o 61.68404 12.24246 41.38134       14.81463  0.000000       
0.000000  41.38134       14.81463  ?        ?        61.68404 12.24246 
0.000000       12.24246 
1 1 1 15  19 2  o 36.07637 13.09234 11.77218       12.39546  -2.475662      
24.66640  16.58578       14.33726  38.02958 16.66920 40.90723 14.15310 
-2.877655      21.86715 
1 1 1 15  19 3  o 225.6191 5.595144 522.0907       25.67075  504.9456       
42.31324  532.0767       32.29254  220.1253 9.452678 227.2167 6.988928 
-7.091339      11.75577 
1 1 1 15  19 4  o 97.55486 8.419674 99.50446       16.53940  82.87042       
26.35870  110.3068       21.24146  86.11021 15.62840 102.0462 10.38067 
-15.93600      18.76180 
1 1 1 15  19 5  o 23.26261 11.12654 -18.99879      14.89024  -31.23034      
24.00652  -11.35068      18.98302  29.00195 13.93897 29.83866 13.70427 
-0.8367081     19.54743 
1 1 1 15  19 6  o 45.86731 14.66027 23.23232       15.44601  54.96596       
24.63973  2.688960       19.82494  68.10450 17.64760 35.76099 15.30706 
32.34351       23.36116 
1 1 1 15  19 7  o 103.4923 8.046415 113.0643       16.80097  107.5717       
25.95964  117.0231       22.03915  97.86911 13.39532 103.9448 10.57378 
-6.075645      17.06574 
1 1 1 15  19 8  o 70.17519 13.04292 56.90219       17.92759  84.27299       
27.28524  36.10987       23.78130  82.77282 16.78452 53.67399 18.23870 
29.09883       24.78650 
1 1 1 15  19 9  o 87.00716 7.832141 81.57012       13.70905  57.02309       
20.51724  101.3681       18.42596  67.45661 15.30776 95.76900 9.590261 
-28.31239      18.06380 
1 1 1 15  20 0  o 134.1703 6.165661 184.7081       16.82238  0.000000       
0.000000  184.7081       16.82238  ?        ?        134.1703 6.165661 
0.000000       6.165661 
1 1 1 15  20 1  f 70.72102 11.70952 53.88368       16.25065  0.000000       
0.000000  53.88368       16.25065  ?        ?        70.72102 11.70952 
0.000000       11.70952 
1 1 1 15  20 2  o 42.77792 12.69588 19.77723       11.84263  20.97313       
23.33852  19.36253       13.74342  47.80931 17.85709 42.87037 13.84203 
4.938942       22.59375 
1 1 1 15  20 3  o 118.3738 7.628629 145.4476       18.26564  145.7197       
28.16619  145.2501       23.99526  116.7452 12.03682 117.3795 10.15264 
-0.6342773     15.74678 
1 1 1 15  20 4  o 80.00670 9.754537 67.93063       15.54171  53.92048       
24.51365  77.34723       20.09710  68.31025 17.55257 84.58478 12.02230 
-16.27453      21.27506 
1 1 1 15  20 5  o 54.97101 13.52395 33.95638       15.01412  43.16109       
24.81530  28.64109       18.85724  60.78288 18.45530 50.69073 16.19806 
10.09215       24.55555 
1 1 1 15  20 6  o 72.02180 11.45337 56.86995       16.21281  61.51080       
25.68601  53.79657       20.90286  71.75562 17.71058 68.14756 15.44097 
3.608055       23.49656 
1 1 1 15  20 7  o 118.8734 9.195434 151.0792       22.05551  0.000000       
0.000000  151.0792       22.05551  ?        ?        118.8734 9.195434 
0.000000       9.195434 
1 1 1 15  20 8  o 123.1679 8.199416 162.2823       20.41941  165.3517       
31.16040  159.9722       27.03237  120.0428 12.97103 119.7493 11.23219 
0.2935104      17.15837 
1 1 1 15  20 9  o 35.67558 14.01129 12.32749       14.85745  44.97805       
32.11609  3.437136       16.75857  55.02149 20.86205 31.97859 13.88275 
23.04289       25.05904 
1 1 1 15  21 0  o 90.89478 8.310138 86.14690       15.19031  0.000000       
0.000000  86.14690       15.19031  ?        ?        90.89478 8.310138 
0.000000       8.310138 
1 1 1 15  21 1  o 111.2353 6.885589 127.8888       15.49869  106.4691       
28.39079  136.9821       18.49823  98.65359 14.59211 114.8252 7.971508 
-16.17163      16.62753 
1 1 1 15  21 2  f 79.50958 8.557418 66.33159       13.61820  87.25288       
27.59182  59.59381       15.65829  88.38657 15.93753 74.69366 10.60679 
13.69291       19.14442 
1 1 1 15  21 3  o 188.0086 5.992194 363.3251       22.90946  375.0683       
38.39975  356.8353       28.54636  188.9515 10.02963 185.7297 7.558190 
3.221756       12.55865 
1 1 1 15  21 4  o 143.0904 6.431851 211.0692       18.71535  153.4907       
29.02145  252.0621       24.48743  119.4400 12.11633 155.8986 7.724130 
-36.45860      14.36898 
1 1 1 15  21 5  o 39.70044 14.31068 15.36840       14.77362  38.54213       
23.10632  -0.6557189     19.21410  57.56579 17.86879 33.90053 14.78935 
23.66526       23.19522 
1 1 1 15  21 6  o 41.34900 14.60769 17.76650       15.31925  18.46510       
24.22966  17.30128       19.77284  45.42699 17.87632 42.88419 16.34312 
2.542793       24.22108 
1 1 1 15  21 7  o 86.04534 8.680692 79.33625       14.98155  57.90480       
23.33861  94.35674       19.53850  68.70751 16.83578 92.83614 10.53619 
-24.12862      19.86089 
1 1 1 15  21 8  o 30.92347 12.71828 6.012015       12.86370  28.20150       
20.35498  -8.743031      16.59845  47.83177 16.84469 27.38350 12.66195 
20.44827       21.07294 
1 1 1 15  21 9  o 95.02794 8.470323 98.95515       16.19666  20.93847       
33.91024  122.0138       18.43548  45.10716 19.66369 105.3957 8.678768 
-60.28850      21.49376 
1 1 1 15  22 0  o 156.8092 5.767436 252.2432       18.39102  0.000000       
0.000000  252.2432       18.39102  ?        ?        156.8092 5.767436 
0.000000       5.767436 
1 1 1 15  22 1  o 28.54709 12.19422 0.5243632      12.53520  7.348006       
22.26680  -2.641483      15.16682  40.20570 16.65344 29.67513 13.03754 
10.53056       21.14981 
1 1 1 15  22 2  o 112.6830 6.373253 131.0754       14.54411  166.9337       
30.23852  120.2832       16.58900  124.9410 12.05104 107.5741 7.632904 
17.36688       14.26495 
1 1 1 15  22 3  o 113.6011 6.703501 133.5500       15.41726  126.3098       
30.93303  135.9430       17.78348  107.0869 14.58410 114.3041 7.695538 
-7.217125      16.48992 
1 1 1 15  22 4  o 64.14652 12.37943 45.39996       15.56327  56.19339       
25.35782  38.87724       19.71273  69.20701 17.88808 58.19591 16.10913 
11.01110       24.07255 
1 1 1 15  22 5  o 153.9543 7.656640 246.9267       23.97074  0.000000       
0.000000  246.9267       23.97074  ?        ?        153.9543 7.656640 
0.000000       7.656640 
1 1 1 15  22 6  o 35.05627 13.93865 9.093225       14.87313  1.250151       
23.80005  14.11873       19.05129  37.46006 16.39784 40.48900 15.87731 
-3.028934      22.82495 
1 1 1 15  22 7  o 52.78590 13.92884 33.04503       15.16887  50.77902       
26.49558  24.39846       18.50087  62.34676 19.09854 45.93069 16.06676 
16.41608       24.95787 
1 1 1 15  22 8  o 122.6677 8.233107 162.4127       20.41833  0.000000       
0.000000  162.4127       20.41833  ?        ?        122.6677 8.233107 
0.000000       8.233107 
1 1 1 15  22 9  o 32.52277 13.39743 8.385740       14.30249  42.63444       
34.34676  1.201171       15.73128  52.10939 21.02236 29.82554 13.18332 
22.28386       24.81410 
1 1 1 15  23 0  o 112.7893 6.135668 131.0990       14.01989  92.17230       
28.94619  143.0295       16.02496  90.77311 16.27942 117.6692 6.724944 
-26.89606      17.61376 
1 1 1 15  23 1  o 227.8036 4.506598 530.8459       20.87665  669.4514       
46.75657  496.3333       23.33146  253.5003 9.070112 220.0494 5.213990 
33.45091       10.46196 
1 1 1 15  23 2  o 35.83858 13.44681 10.91800       13.26336  19.12372       
23.49394  7.079348       16.06894  46.57694 17.79938 35.42625 14.34849 
11.15070       22.86257 
1 1 1 15  23 3  o 173.8221 5.011128 309.8373       17.71299  352.6626       
35.83628  295.9924       20.37603  183.1184 9.657799 169.6137 5.907545 
13.50467       11.32131 
1 1 1 15  23 4  o 142.3774 6.260880 209.2255       18.12708  170.3828       
26.97973  241.1886       24.47415  126.3580 10.59774 151.9858 7.946290 
-25.62783      13.24597 
1 1 1 15  23 5  o 111.2772 7.409424 129.5818       16.67064  129.8705       
27.05771  129.4052       21.16485  108.6687 12.47015 110.1874 9.539771 
-1.518700      15.70069 
1 1 1 15  23 6  o 181.1977 7.045301 343.1387       25.95995  0.000000       
0.000000  343.1387       25.95995  ?        ?        181.1977 7.045301 
0.000000       7.045301 
1 1 1 15  23 7  o 56.15707 13.13987 37.21717       14.73902  47.07011       
24.60871  31.70553       18.40543  59.85646 18.41765 50.67897 15.98262 
9.177494       24.38553 
1 1 1 15  23 8  o 51.76104 12.61762 32.29203       13.16051  36.77276       
20.54498  29.17404       17.13833  52.47782 16.92199 47.80372 15.45975 
4.674103       22.92069 
1 1 1 15  24 0  o 170.8629 4.827789 298.9036       16.77442  330.3485       
34.40136  289.0951       19.21331  177.6042 9.560331 167.8273 5.629737 
9.776871       11.09477 
1 1 1 15  24 1  o 151.1916 5.096179 234.3162       15.66837  200.3568       
31.06021  245.9076       18.14644  137.2842 11.22399 154.7104 5.767937 
-17.42618      12.61931 
1 1 1 15  24 2  o 125.8281 6.691120 163.8176       17.05942  181.3072       
31.94584  156.8405       20.17726  129.8498 12.24274 122.6039 8.139203 
7.245880       14.70141 
1 1 1 15  24 3  o 118.4601 7.275528 145.9495       17.44140  113.3345       
31.06448  160.9639       21.07709  100.2515 15.75764 123.9677 8.410616 
-23.71614      17.86174 
1 1 1 15  24 4  o 43.38945 16.12863 18.20671       18.99424  6.741240       
24.20063  36.60032       30.65238  40.41579 17.09118 56.87671 20.59624 
-16.46092      26.76403 
1 1 1 15  24 5  o 165.0033 7.516857 284.6464       25.22205  0.000000       
0.000000  284.6464       25.22205  ?        ?        165.0033 7.516857 
0.000000       7.516857 
1 1 1 15  24 6  o 72.05287 9.951990 56.85563       14.19260  67.47762       
21.74436  48.97174       18.73329  75.71063 14.65303 64.22765 14.66532 
11.48298       20.73121 
1 1 1 15  24 7  o 56.41752 13.12689 37.95721       14.77684  22.43288       
26.27048  45.14232       17.87222  45.56015 18.38357 60.62211 14.65864 
-15.06196      23.51236 
1 1 1 15  24 8  o 83.49034 9.544574 78.12010       15.91362  32.79436       
34.48668  90.38226       17.93751  48.98148 20.54091 89.43661 10.03585 
-40.45513      22.86148 
1 1 1 15  25 0  f 98.08289 6.728673 99.65620       13.33952  120.6537       
29.96786  94.46775       14.89671  104.7555 14.45272 95.19160 7.763168 
9.563919       16.40573 
1 1 1 15  25 1  o 64.55813 9.984517 44.68393       12.68475  37.00775       
27.91349  46.68166       14.24002  57.61612 19.75868 65.65347 11.05905 
-8.037342      22.64305 
1 1 1 15  25 2  o 43.97667 13.98787 20.96482       14.07470  58.91214       
28.12495  8.286346       16.25678  70.39795 19.14182 36.11986 14.50114 
34.27809       24.01442 
1 1 1 15  25 3  o 171.4605 5.101102 301.9799       17.78605  295.2443       
36.97036  304.0083       20.28816  166.1760 11.00268 171.7774 5.807981 
-5.601440      12.44153 
1 1 1 15  25 4  o 136.4584 8.121028 195.6583       22.43342  157.6427       
28.06173  262.9756       37.34188  120.4136 11.60372 155.5023 11.89917 
-35.08878      16.62036 
1 1 1 15  25 5  o 33.70291 13.70345 7.244880       14.72078  6.314185       
23.11229  7.880150       19.09494  38.82411 16.57045 37.04486 15.38934 
1.779251       22.61441 
1 1 1 15  25 6  o 91.49051 7.910464 89.33113       14.57256  91.37590       
22.68645  87.89479       19.01394  89.26036 12.87041 89.04762 10.71532 
0.2127380      16.74711 
1 1 1 15  25 7  o 75.71638 11.78305 66.36922       17.55259  0.000000       
0.000000  66.36922       17.55259  ?        ?        75.71638 11.78305 
0.000000       11.78305 
1 1 1 15  25 8  o 33.73647 13.52149 10.75018       14.10851  -2.821707      
32.63562  13.86955       15.64609  37.38817 17.44625 36.31068 14.34079 
1.077488       22.58384 
1 1 1 15  26 0  o 104.3372 6.466725 112.6374       13.65306  125.3612       
30.22777  109.3764       15.30297  106.7309 14.28557 102.5398 7.388425 
4.191124       16.08311 
1 1 1 15  26 1  o 253.0923 5.101018 657.2396       26.25351  716.9996       
50.45061  635.0473       30.74417  261.4564 9.488898 248.3064 6.088684 
13.14998       11.27436 
1 1 1 15  26 2  o 125.1070 5.870733 161.2302       14.93570  179.4681       
30.24586  155.3488       17.17595  129.1228 11.64419 122.3067 6.934415 
6.816109       13.55261 
1 1 1 15  26 3  o 82.04401 8.390326 71.16546       13.80140  125.1908       
30.07942  56.75865       15.53297  105.6803 14.36922 72.20934 10.91908 
33.47100       18.04718 
1 1 1 15  26 4  o 31.10711 13.98835 -5.182490      18.51746  -7.783607      
22.86823  -0.2290578     31.55773  33.70440 15.31201 41.65056 18.52805 
-7.946167      24.03635 
1 1 1 15  26 5  o 122.6185 8.567203 160.3695       21.22797  0.000000       
0.000000  160.3695       21.22797  ?        ?        122.6185 8.567203 
0.000000       8.567203 
1 1 1 15  26 6  o 40.13176 14.16629 18.10986       14.40467  30.84073       
27.82250  13.44766       16.83690  50.02474 19.30584 37.86753 14.90164 
12.15722       24.38800 
1 1 1 15  26 7  o 20.66495 9.931521 -14.70321      12.18345  -1.887699      
20.30182  -21.91630      15.23097  32.05054 14.50762 21.91740 10.66853 
10.13314       18.00802 
1 1 1 15  26 8  o 37.17410 13.80681 16.41469       13.91348  6.244984       
33.26916  18.57040       15.31730  39.14294 18.03840 38.90975 14.47964 
0.2331848      23.13102 
1 1 1 15  27 0  o 143.9656 5.282415 212.8057       15.46474  197.9854       
33.49578  216.8206       17.43409  135.5208 12.28799 145.1407 5.906888 
-9.619858      13.63400 
1 1 1 15  27 1  o 189.6347 4.700740 368.6771       18.12740  365.9624       
37.57288  369.5007       20.69531  186.0412 9.967720 189.6095 5.367354 
-3.568375      11.32095 
1 1 1 15  27 2  o 34.80753 12.97612 10.77347       12.31220  25.27584       
27.12928  7.011687       13.81707  50.37713 19.15660 33.29203 13.36776 
17.08510       23.35963 
1 1 1 15  27 3  f 38.83588 14.02649 14.98533       14.20279  23.05583       
27.20078  11.96028       16.65321  48.79943 19.01709 38.10858 14.87189 
10.69085       24.14173 
1 1 1 15  27 4  o 35.33435 13.61136 10.80204       13.81012  23.07580       
23.41839  4.257918       17.09992  46.90978 17.80778 33.84375 14.34232 
13.06603       22.86524 
1 1 1 15  27 5  o 88.16289 8.117053 83.16051       14.38899  58.95680       
21.45170  102.9573       19.40074  69.63840 15.54226 96.99367 9.978457 
-27.35526      18.46974 
1 1 1 15  27 6  o 32.63975 13.35981 7.754143       14.10938  -34.75821      
26.33728  24.86597       16.70943  28.47997 13.89923 45.00952 15.28825 
-16.52954      20.66202 
1 1 1 15  27 7  o 46.24110 12.91704 26.58028       12.61402  36.82460       
20.89391  20.70515       15.82294  51.32402 17.09570 40.95839 14.80309 
10.36563       22.61403 
1 1 1 15  28 0  o 164.7698 4.950535 278.5861       16.58751  261.5841       
35.48251  283.3408       18.76412  156.3849 11.23235 165.9723 5.559572 
-9.587341      12.53294 
1 1 1 15  28 1  o 203.4511 5.251362 425.5742       21.72618  357.2575       
40.04414  454.0736       25.86390  182.8812 10.81568 209.7666 6.063259 
-26.88541      12.39927 
1 1 1 15  28 2  o 128.2525 5.735435 169.7315       14.95835  128.5057       
31.75348  181.4893       16.95781  106.3467 15.10779 132.4211 6.297400 
-26.07440      16.36773 
1 1 1 15  28 3  o 61.32505 12.07059 42.28236       14.51687  49.75322       
25.90008  38.86030       17.52911  63.24173 18.77681 57.53264 14.87363 
5.709087       23.95399 
1 1 1 15  28 4  o 27.66378 12.19668 -1.446199      13.38083  3.094489       
22.52269  -3.923143      16.63480  36.80133 16.03466 29.61142 13.29159 
7.189915       20.82731 
1 1 1 15  28 5  o 50.54987 13.21177 30.47694       13.73242  37.60139       
20.70494  24.88162       18.34894  54.20079 16.92968 45.61688 15.99820 
8.583912       23.29284 
1 1 1 15  28 6  o 20.99654 10.05401 -13.86864      12.23493  -32.37418      
20.18840  -3.126528      15.38141  24.12840 11.85667 27.97913 12.64958 
-3.850729      17.33760 
1 1 1 15  28 7  o 35.06557 13.50014 13.51351       13.57929  -22.07564      
30.67141  22.19024       15.14443  32.09464 15.50740 41.54081 14.53617 
-9.446171      21.25510 
1 1 1 15  29 0  o 74.76973 8.394337 59.12910       12.54282  77.30501       
27.25114  54.24363       14.12829  81.39173 17.01248 70.98027 10.07054 
10.41146       19.76968 
1 1 1 15  29 1  o 105.8728 6.596546 116.5883       14.13152  136.8464       
32.39442  111.8271       15.70459  110.0635 14.85289 103.3306 7.525599 
6.732918       16.65062 
1 1 1 15  29 2  o 54.62530 11.36381 33.30905       12.21208  24.97271       
28.36990  35.20506       13.52974  49.82517 19.42019 55.84423 12.25086 
-6.019066      22.96143 
1 1 1 15  29 3  o 82.61823 8.830412 73.24711       14.60593  73.62977       
28.89731  73.11581       16.92734  76.37585 18.74528 81.72673 10.42256 
-5.350883      21.44796 
1 1 1 15  29 4  o 37.50834 13.55241 14.79932       13.26087  23.65737       
20.54489  8.473454       17.36180  45.56650 16.80646 35.64895 14.73066 
9.917545       22.34837 
1 1 1 15  29 5  o 105.5761 10.22549 124.3978       21.67825  113.5972       
28.91324  138.2647       32.76144  95.87267 15.34807 105.3822 15.77271 
-9.509567      22.00776 
1 1 1 15  29 6  o 54.60559 11.83780 35.83600       12.76593  46.44498       
20.61003  29.23208       16.26082  58.12257 16.60844 47.24551 15.03578 
10.87706       22.40346 
1 1 1 15  29 7  o 42.98314 13.94771 24.41175       13.94116  3.847950       
31.96978  29.24037       15.49171  37.45350 17.40652 46.36755 14.66735 
-8.914055      22.76221 
1 1 1 15  30 0  o 72.56747 8.965066 56.18355       12.94831  58.21460       
29.88681  55.71423       14.36664  68.53184 20.12342 71.81021 10.11880 
-3.278374      22.52426 
1 1 1 15  30 1  o 75.11629 8.391559 59.99574       12.59918  100.1584       
27.83591  49.64773       14.12936  93.31952 15.19094 67.34032 10.67401 
25.97919       18.56608 
1 1 1 15  30 2  o 96.61057 6.836945 97.81785       13.34517  91.01476       
28.52929  99.72338       15.09892  87.16464 16.70333 97.16598 7.704704 
-10.00134      18.39466 
1 1 1 15  30 3  o 61.87995 10.75844 42.79794       13.04642  88.11870       
30.64911  32.76879       14.41788  83.11551 18.59825 52.78949 13.40577 
30.32602       22.92618 
1 1 1 15  30 4  o 21.62066 10.31932 -14.10715      12.66784  -14.99991      
19.86933  -13.49574      16.44314  28.22889 13.31101 25.68291 12.11006 
2.545980       17.99546 
1 1 1 15  30 5  o 51.25683 16.92505 35.50298       20.49519  45.99218       
29.31066  25.46792       28.66912  55.35183 20.12565 45.87188 18.93997 
9.479942       27.63629 
1 1 1 15  30 6  o 29.11168 12.25007 5.335363       12.33381  39.91155       
20.77554  -13.48331      15.32704  52.52150 17.02511 23.88564 11.38665 
28.63585       20.48195 
1 1 1 15  31 0  o 71.83570 8.817987 55.16750       12.61086  55.73472       
29.92434  55.04501       13.90602  66.48251 20.28420 71.33708 9.848615 
-4.854576      22.54871 
1 1 1 15  31 1  o 49.57421 12.29576 28.02113       12.33517  35.25721       
29.32810  26.46598       13.59622  54.57978 20.08786 47.91795 13.41938 
6.661831       24.15786 
1 1 1 15  31 2  o 62.56870 10.01908 43.14448       12.31768  12.65866       
29.14491  49.77407       13.59118  43.85989 18.66096 67.16268 10.27822 
-23.30280      21.30430 
1 1 1 15  31 3  o 51.00333 12.05162 30.26863       12.30127  56.69122       
30.37734  25.08588       13.45372  63.70772 20.58010 45.95148 13.50396 
17.75624       24.61498 
1 1 1 15  31 4  o 52.69352 13.13323 33.69869       14.02265  40.41538       
22.93431  29.68853       17.72101  54.47592 17.89981 48.25208 15.72857 
6.223846       23.82837 
1 1 1 15  31 5  o 43.17176 16.82790 23.72914       21.30251  23.72914       
21.30251  0.000000       0.000000  43.17176 16.82790 ?        ?        
0.000000       16.82790 
1 1 1 15  31 6  o 67.46923 11.21700 54.84627       14.84948  -40.06528      
31.76596  81.38632       16.79783  29.21009 14.45138 83.55580 10.09043 
-54.34571      17.62552 
1 1 1 15  32 0  o 83.65633 7.507782 73.86703       12.63613  90.50945       
28.17948  69.67838       14.13715  87.20390 16.49501 80.70449 8.754539 
6.499413       18.67424 
1 1 1 15  32 1  o 57.11672 11.01566 36.59710       12.33086  52.17547       
29.83889  33.38883       13.54119  62.86332 20.40571 53.80047 12.59879 
9.062851       23.98171 
1 1 1 15  32 2  o 84.14037 8.151321 75.96552       13.77221  102.8696       
31.55320  69.63373       15.30729  90.13097 17.84684 79.71149 9.639175 
10.41949       20.28358 
1 1 1 15  32 3  o 40.09232 15.91056 16.14879       19.34482  43.81348       
29.07223  -5.832839      25.91465  55.77911 20.07853 34.82135 15.99984 
20.95776       25.67377 
1 1 1 15  32 4  o 30.21228 13.34806 1.227829       16.10854  16.96566       
29.43697  -5.499351      19.24585  42.44082 18.41202 29.93108 13.76596 
12.50974       22.98922 
1 1 1 15  32 5  o 32.02214 12.65632 10.16583       12.19471  1.082742       
20.06454  15.48638       15.35645  31.96947 14.45113 36.67724 14.29007 
-4.707777      20.32341 
1 1 1 15  32 6  o 17.01026 8.526431 -30.77351      12.66817  -54.05521      
29.96836  -25.70816      13.97849  26.12003 13.09573 19.26535 9.541130 
6.854673       16.20282 
1 1 1 15  33 0  o 72.60610 14.42733 61.86961       20.55087  39.26398       
30.08960  81.63424       28.13535  55.92856 20.38277 81.23153 17.54539 
-25.30297      26.89421 
1 1 1 15  33 1  o 70.77311 10.43178 55.65651       14.56313  56.18007       
30.20398  55.49792       16.62300  64.01504 20.50477 69.64687 12.18054 
-5.631828      23.84977 
1 1 1 15  33 2  o 33.86610 12.83522 11.11207       12.15342  29.95815       
28.90999  7.066523       13.39449  49.36583 19.49470 31.88748 13.03040 
17.47835       23.44855 
1 1 1 15  33 3  f 47.10040 12.30924 26.77444       11.92091  24.01103       
28.90140  27.34097       13.08592  45.42590 18.90718 47.16402 13.14993 
-1.738117      23.03046 
1 1 1 15  33 4  o 48.06629 14.76615 30.70184       15.82535  18.72578       
28.68027  35.94431       18.97555  41.80817 18.15571 50.75473 16.25199 
-8.946560      24.36713 
1 1 1 15  33 5  o 54.14247 11.69252 36.40554       12.49692  36.48479       
21.16622  36.36312       15.48378  48.65868 17.17265 51.71045 14.26217 
-3.051765      22.32284 
1 1 1 15  34 0  o 48.66419 11.72166 27.30377       11.46186  26.52265       
28.74219  27.45148       12.49868  48.81394 19.38682 48.46353 12.57426 
0.3504105      23.10760 
1 1 1 15  34 1  o 61.18690 9.849464 41.77180       11.83936  59.84092       
26.81577  37.39680       13.19505  66.33662 18.94075 56.76634 11.81494 
9.570282       22.32364 
1 1 1 15  34 2  o 22.08180 10.31886 -8.411512      11.48264  -8.290336      
27.72163  -8.436608      12.61578  34.74484 16.16801 23.32587 10.87191 
11.41897       19.48340 
1 1 1 15  34 3  o 29.31719 12.49485 4.365589       13.10708  -0.8978812     
28.85906  5.733476       14.71198  36.24626 16.73746 31.15451 13.25685 
5.091755       21.35150 
1 1 1 15  34 4  o 57.41201 12.75914 41.80475       14.50973  10.36357       
21.59975  67.66000       19.58726  35.80000 15.64760 72.32233 13.82223 
-36.52232      20.87825 
1 1 1 15  34 5  o 47.95396 13.24071 31.03377       13.33673  46.03926       
31.35476  27.71928       14.73624  48.56105 19.90070 44.26052 14.33771 
4.300533       24.52770 
1 1 1 15  35 0  o 31.67128 12.13432 9.125669       10.93635  28.75573       
26.05140  4.926159       12.04951  48.52251 18.69384 29.56095 12.24802 
18.96156       22.34891 
1 1 1 15  35 1  o 48.38491 11.71909 27.69633       11.40850  31.05317       
26.33871  26.92109       12.65749  48.69765 18.78671 47.13343 12.85193 
1.564224       22.76209 
1 1 1 15  35 2  o 59.69500 10.29612 41.13610       12.04716  44.42661       
29.87146  40.49693       13.16532  53.36394 20.14706 58.38808 11.49725 
-5.024147      23.19678 
1 1 1 15  35 3  o 35.47836 13.29606 14.74009       12.96021  22.30067       
29.00694  12.85434       14.48659  42.31472 18.31714 34.63255 13.76070 
7.682178       22.91014 
1 1 1 15  35 4  o 47.62624 12.25815 29.29532       11.94181  26.24840       
20.93588  30.76474       14.53894  42.07355 16.59771 47.14896 14.08401 
-5.075405      21.76794 
1 1 1 15  36 0  o 98.12093 8.295087 104.6907       16.39630  104.4670       
32.43374  104.7675       19.00342  87.35956 18.81328 96.96756 9.770394 
-9.608002      21.19906 
1 1 1 15  36 1  o 40.76916 12.45184 20.24818       11.27228  0.8373936E-01  
28.26722  24.06111       12.29191  36.54422 16.76148 44.08778 12.89392 
-7.543568      21.14711 
1 1 1 15  36 2  o 102.7604 7.217983 114.8517       14.98751  126.0245       
32.22479  111.7678       16.93002  94.59373 17.39330 100.2461 8.381890 
-5.652367      19.30759 
1 1 1 15  36 3  o 30.00810 11.93619 8.938253       10.91065  -1.614481      
26.66162  11.06097       11.95776  33.40124 15.64527 31.98077 12.56678 
1.420464       20.06734 
1 1 1 15  36 4  o 73.65462 8.610570 62.70822       12.65343  47.84946       
21.00776  71.16797       15.85139  54.00360 17.07987 76.42888 10.47459 
-22.42528      20.03595 
1 1 1 15  37 0  f 44.30738 14.00408 24.89789       14.12454  46.75194       
29.32788  18.29814       16.11679  54.70299 20.09464 39.37424 14.81317 
15.32875       24.96446 
1 1 1 15  37 1  o 42.89371 11.95623 22.84023       10.81945  27.22217       
27.73287  22.05356       11.75057  44.34454 18.49442 41.78712 12.70229 
2.557423       22.43639 
1 1 1 15  37 2  o 55.00583 11.93999 38.00275       12.97241  35.44746       
28.34048  38.68005       14.59068  46.05744 18.90257 54.18179 13.33316 
-8.124352      23.13180 
1 1 1 15  37 3  o 57.08054 10.15223 39.49271       11.35237  25.11298       
27.58754  42.42408       12.45586  40.42244 17.67556 58.53709 10.86382 
-18.11464      20.74724 
1 1 1 15  38 0  o 31.45186 12.29864 9.935339       11.40631  -46.67017      
27.93593  21.26004       12.49531  26.50769 13.18869 40.82591 13.20028 
-14.31822      18.65982 
1 1 1 15  38 1  o 45.20482 12.60828 26.55791       12.02780  15.09657       
27.20625  29.34222       13.40941  38.45754 17.14862 46.90133 13.39473 
-8.443787      21.75991 
1 1 1 15  38 2  o 111.8045 6.472143 136.4041       14.65201  125.7824       
29.18176  139.9844       16.94242  93.05937 15.99719 111.9991 7.481961 
-18.93975      17.66040 
1 1 1 15  38 3  o 30.87380 11.97463 11.44096       10.74554  16.70417       
26.64765  10.41893       11.74258  36.31535 16.51003 30.41566 12.28441 
5.899693       20.57882 
1 1 1 15  39 0  o 57.78663 10.42729 40.10465       11.80238  39.85096       
29.54763  40.15281       12.87399  47.42367 19.36325 56.86965 11.52689 
-9.445980      22.53453 
1 1 1 15  39 1  o 42.56107 15.09036 26.98303       16.36257  12.41198       
27.96478  34.56848       20.17701  36.48110 16.71008 46.05930 16.70550 
-9.578194      23.62838 
1 1 1 15  39 2  o 49.78061 10.72001 31.42179       10.53113  36.52470       
24.67203  30.28493       11.64530  43.85717 17.77368 47.53432 12.03541 
-3.677158      21.46520 
1 1 1 15  40 0  o 40.20805 12.21729 21.54287       10.87201  44.17873       
29.85047  18.08092       11.67383  46.89054 19.34007 36.76471 12.76810 
10.12583       23.17461 
1 1 1 15  40 1  o 24.19786 11.09482 -1.730869      12.37036  20.23165       
26.99172  -7.570439      13.91810  37.23101 16.80153 23.29415 11.03133 
13.93686       20.09930 
1 1 1 15  41 0  o 56.10142 13.79515 45.39257       15.62821  0.000000       
0.000000  45.39257       15.62821  ?        ?        56.10142 13.79515 
0.000000       13.79515 
1 1 1 15  41 1  o 20.09633 9.485653 -6.080134      10.13596  0.000000       
0.000000  -6.080134      10.13596  ?        ?        20.09633 9.485653 
0.000000       9.485653 
1 1 1 15  42 0  o 27.10675 10.87878 8.149746       9.145827  -28.12160      
25.41711  13.54457       9.802412  25.24264 12.56266 31.68096 11.62041 
-6.438326      17.11299 
1 1 1 16  0  0  f 204.3567 6.171229 427.2113       25.59262  427.2113       
25.59262  427.2113       25.59262  204.3567 6.171229 204.3567 6.171229 
0.000000       0.000000 
1 1 1 16  0  1  o 196.7744 6.334363 396.4726       25.28730  396.4726       
25.28730  396.4726       25.28730  196.7744 6.334363 196.7744 6.334363 
0.000000       0.000000 
1 1 1 16  0  2  o 44.38816 20.86091 30.54496       21.16154  30.54496       
21.16154  30.54496       21.16154  44.38816 20.86091 44.38816 20.86091 
0.000000       0.000000 
1 1 1 16  0  3  o 29.32926 18.63665 4.206455       24.25488  4.206455       
24.25488  4.206455       24.25488  29.32926 18.63665 29.32926 18.63665 
0.000000       0.000000 
1 1 1 16  0  4  o 269.0197 7.576170 743.3327       41.37191  743.3327       
41.37191  743.3327       41.37191  269.0197 7.576170 269.0197 7.576170 
0.000000       0.000000 
1 1 1 16  0  5  o 44.53971 27.16590 25.46138       46.46104  25.46138       
46.46104  25.46138       46.46104  44.53971 27.16590 44.53971 27.16590 
0.000000       0.000000 
1 1 1 16  0  6  o 100.9316 13.36390 112.0449       26.08832  112.0449       
26.08832  112.0449       26.08832  100.9316 13.36390 100.9316 13.36390 
0.000000       0.000000 
1 1 1 16  0  7  o 15.82707 11.57044 -53.88715      23.02418  -53.88715      
23.02418  -53.88715      23.02418  15.82707 11.57044 15.82707 11.57044 
0.000000       0.000000 
1 1 1 16  0  8  o 22.94056 15.41436 -5.202127      20.38345  -5.202127      
20.38345  -5.202127      20.38345  22.94056 15.41436 22.94056 15.41436 
0.000000       0.000000 
1 1 1 16  0  9  o 22.76958 15.04141 -0.5441745     18.04803  -0.5441745     
18.04803  -0.5441745     18.04803  22.76958 15.04141 22.76958 15.04141 
0.000000       0.000000 
1 1 1 16  0  10 o 69.83730 15.74998 62.44412       19.51462  62.44412       
19.51462  62.44412       19.51462  69.83730 15.74998 69.83730 15.74998 
0.000000       0.000000 
1 1 1 16  1  0  o 134.8779 5.146720 185.8281       14.11636  187.6038       
20.12982  184.1100       19.80135  135.0009 7.360278 133.7461 7.308185 
1.254837       10.37223 
1 1 1 16  1  1  o 210.4058 4.409500 451.8002       18.86681  447.0999       
26.62247  456.5426       26.74133  208.9148 6.266536 211.1189 6.228803 
-2.204041      8.835579 
1 1 1 16  1  2  o 161.6119 5.918507 267.5062       19.45077  268.2241       
28.28655  266.8622       26.78954  160.9364 8.675240 160.6731 8.226775 
0.2632599      11.95574 
1 1 1 16  1  3  o 267.3945 6.330051 733.5755       34.42002  695.0164       
48.14782  773.8784       49.22455  259.0125 9.141227 273.4708 8.851551 
-14.45831      12.72446 
1 1 1 16  1  4  o 130.8988 7.354277 177.0285       19.49683  192.0960       
27.92973  162.7075       27.22898  135.3971 10.21921 124.3003 10.88189 
11.09679       14.92809 
1 1 1 16  1  5  f 64.34634 22.29404 45.92726       35.58072  90.24767       
53.97356  11.86308       47.31819  85.04502 27.42811 55.29855 23.65852 
29.74647       36.22192 
1 1 1 16  1  6  o 41.38820 15.13339 15.99545       16.60640  23.05763       
23.58913  9.056623       23.38222  48.80685 18.00722 41.57154 17.12811 
7.235317       24.85221 
1 1 1 16  1  7  o 47.38308 15.13256 24.82316       16.45977  14.03174       
23.61037  35.02698       22.95858  43.57380 17.48210 55.30932 17.89397 
-11.73552      25.01635 
1 1 1 16  1  8  o 148.3067 6.011728 227.6455       18.13058  245.2955       
25.90513  210.6986       25.38383  152.4783 8.386854 140.9622 8.901009 
11.51610       12.22977 
1 1 1 16  1  9  o 92.14577 7.698550 90.27625       14.29353  74.65417       
19.82831  107.1761       20.62331  80.97609 12.43928 98.73154 10.42978 
-17.75545      16.23317 
1 1 1 16  1  10 o 27.80952 12.21494 0.1762579E-01  13.30619  11.23703       
20.35836  -8.349588      17.58120  37.96012 15.83997 28.18837 13.03316 
9.771759       20.51263 
1 1 1 16  2  0  o 174.1526 5.380011 309.9450       19.05305  318.3452       
23.25401  292.7875       33.23392  176.2945 6.486459 168.0204 9.768929 
8.274124       11.72630 
1 1 1 16  2  1  o 32.14886 12.81675 5.906063       12.60611  -8.832579      
15.51789  34.50720       21.61701  27.64807 12.58095 56.36898 17.24813 
-28.72090      21.34897 
1 1 1 16  2  2  o 74.86244 10.79412 59.47555       15.95759  51.28352       
22.91013  67.19514       22.23969  67.78249 16.72399 78.49436 14.46580 
-10.71187      22.11224 
1 1 1 16  2  3  o 44.21996 14.91862 19.85924       15.91014  22.11380       
22.87330  17.74596       22.14504  48.60250 17.76241 45.77726 17.33146 
2.825241       24.81699 
1 1 1 16  2  4  o 93.77321 9.490904 92.22603       17.84907  102.6261       
25.31150  81.93872       25.17386  97.71054 13.06592 86.45453 14.85422 
11.25601       19.78297 
1 1 1 16  2  5  o 89.20725 10.51256 84.32923       18.70425  106.9344       
27.71993  65.43427       25.34317  99.10915 14.15616 76.11040 16.82204 
22.99875       21.98585 
1 1 1 16  2  6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 16  2  7  o 118.7509 7.661722 147.1871       18.40312  137.9451       
26.54475  155.7403       25.53641  113.0179 11.72035 120.8279 10.49733 
-7.809906      15.73405 
1 1 1 16  2  8  o 69.04606 11.15073 52.51848       15.12293  29.15134       
20.94299  77.97818       21.86062  50.39744 17.11578 83.16853 13.37931 
-32.77109      21.72454 
1 1 1 16  2  9  o 54.91087 12.45116 34.92300       13.58311  7.360040       
19.15452  62.80422       19.26479  36.31043 15.27194 73.53258 13.37624 
-37.22215      20.30162 
1 1 1 16  2  10 o 54.54549 12.73289 35.53160       13.86638  35.34330       
20.97334  35.67783       18.48210  51.92482 17.12017 52.75557 15.90683 
-0.8307571     23.36937 
1 1 1 16  3  0  o 90.72870 6.943088 84.89179       12.71276  96.47647       
17.48994  71.91565       18.51054  96.31077 9.035857 82.45123 11.34021 
13.85954       14.49990 
1 1 1 16  3  1  o 142.4709 6.074987 207.8540       17.60042  188.1392       
29.97730  218.2251       21.74244  134.0166 11.09965 145.5590 7.369454 
-11.54239      13.32333 
1 1 1 16  3  2  o 144.7675 6.703725 215.1112       19.73508  253.1943       
32.04818  191.8489       25.04747  155.8014 10.17115 135.8862 9.117193 
19.91525       13.65926 
1 1 1 16  3  3  o 30.92334 13.18230 0.7583928      14.59487  -3.883077      
20.60566  5.431173       20.67504  34.39331 15.15097 38.47118 16.00027 
-4.077869      22.03544 
1 1 1 16  3  4  o 110.0825 11.94820 128.8201       26.31740  95.07430       
59.04698  137.1856       29.39898  87.44317 28.72080 113.1966 13.00805 
-25.75342      31.52925 
1 1 1 16  3  5  o 42.55090 15.42026 17.00049       17.18664  -1.981375      
25.23716  33.41726       23.47010  38.60145 16.89187 55.31992 18.10434 
-16.71848      24.76090 
1 1 1 16  3  6  o 47.31097 16.79711 22.66716       20.27969  36.77916       
23.28489  -21.66348      41.26977  57.06297 17.97471 43.19749 19.97121 
13.86547       26.86894 
1 1 1 16  3  7  o 91.48844 13.85398 92.99580       24.96796  92.99580       
24.96796  0.000000       0.000000  91.48844 13.85398 ?        ?        
0.000000       13.85398 
1 1 1 16  3  8  f 179.0465 5.534116 330.9866       20.14956  300.3553       
28.32331  362.3756       28.67144  169.0023 8.241379 186.1111 7.575753 
-17.10876      11.19430 
1 1 1 16  3  9  o 55.00673 12.57073 35.14615       13.75420  36.12262       
19.81596  34.23838       19.10621  53.95937 16.51451 52.71980 16.22957 
1.239571       23.15444 
1 1 1 16  3  10 o 46.05962 13.87948 25.92110       14.07430  6.330113       
22.61980  38.29700       17.97831  36.92214 16.07875 54.87360 15.45367 
-17.95146      22.30117 
1 1 1 16  4  0  o 56.05180 10.44094 33.55947       11.46302  29.26705       
16.03090  38.05054       16.39765  51.91391 14.58308 59.03341 13.89102 
-7.119503      20.14018 
1 1 1 16  4  1  o 59.89355 11.46858 38.57390       13.45953  43.05291       
24.48636  36.63468       16.11189  62.32127 18.19059 57.84002 13.87614 
4.481247       22.87891 
1 1 1 16  4  2  o 104.3625 8.575099 113.1936       18.03754  133.4530       
27.40056  97.70034       23.96175  112.2023 12.20589 95.67577 12.62417 
16.52649       17.56000 
1 1 1 16  4  3  o 121.7573 7.181028 153.0328       17.70134  156.5550       
25.40095  149.7074       24.68151  122.1950 10.31872 119.4967 10.25638 
2.698303       14.54886 
1 1 1 16  4  4  o 97.49211 12.61187 101.8601       24.41738  44.11025       
55.14215  115.9455       27.23280  68.27568 26.93593 103.8695 13.19034 
-35.59385      29.99216 
1 1 1 16  4  5  o 128.5250 7.811447 171.3268       20.31919  165.0143       
30.12900  176.5931       27.51935  124.4555 12.05586 129.4629 10.54463 
-5.007347      16.01664 
1 1 1 16  4  6  o 74.23365 15.05639 61.83217       21.95122  69.21402       
25.29049  39.28433       44.20051  78.00564 16.46069 62.39503 24.26231 
15.61061       29.31918 
1 1 1 16  4  7  o 57.36702 13.93151 37.31671       16.09013  45.55956       
23.14963  29.61306       22.37967  62.20517 17.54210 51.69371 17.69244 
10.51146       24.91481 
1 1 1 16  4  8  o 29.37527 12.83615 -0.7150118     14.52693  -3.479194      
21.38969  1.651562       19.79161  34.02179 15.18548 34.83670 15.10515 
-0.8149109     21.41878 
1 1 1 16  4  9  o 58.96854 11.68124 39.68250       13.51215  40.65262       
19.41497  38.77119       18.81719  57.29726 16.03224 56.07747 15.81620 
1.219791       22.52076 
1 1 1 16  4  10 o 39.45800 13.24904 18.15741       12.54774  -1.139052      
18.15782  35.79430       17.35945  31.19452 13.95249 53.11721 15.26245 
-21.92269      20.67884 
1 1 1 16  5  0  o 170.3474 5.402583 296.6076       18.71494  299.5097       
30.82977  294.9142       23.55056  170.1784 8.940021 169.5941 6.828716 
0.5842743      11.24968 
1 1 1 16  5  1  o 74.23719 13.79655 59.80353       20.06113  0.000000       
0.000000  59.80353       20.06113  ?        ?        74.23719 13.79655 
0.000000       13.79655 
1 1 1 16  5  2  o 71.83381 11.39785 55.13787       16.09360  9.026146       
24.98974  87.81546       21.03687  43.19183 17.74097 90.94222 11.64262 
-47.75039      21.22010 
1 1 1 16  5  3  o 139.9864 6.484965 201.1953       18.46057  176.6731       
26.55651  224.1254       25.67992  129.9111 10.13260 146.9612 8.630770 
-17.05009      13.31014 
1 1 1 16  5  4  o 47.25430 17.91883 19.30149       23.69494  -17.08581      
54.46442  27.79642       26.31588  51.75638 23.55832 52.93543 19.09686 
-1.179047      30.32630 
1 1 1 16  5  5  o 108.5682 8.833083 123.1634       19.33234  146.3871       
29.66069  106.0105       25.49078  116.8430 12.68710 99.13345 12.95461 
17.70956       18.13242 
1 1 1 16  5  6  o 57.48997 17.21601 37.63368       21.70420  54.76300       
25.60257  -6.120708      40.91893  68.59975 18.09311 46.60916 20.88905 
21.99059       27.63536 
1 1 1 16  5  7  o 111.2506 8.086358 129.7650       18.16881  153.1517       
27.14779  110.7919       24.45226  119.2428 11.33189 100.8375 12.17076 
18.40530       16.62947 
1 1 1 16  5  8  o 120.3153 6.930980 151.3359       16.88596  151.1610       
24.64808  151.4906       23.18017  118.2892 10.35094 118.8565 9.674471 
-0.5672684     14.16818 
1 1 1 16  5  9  o 31.25586 12.76137 6.246109       12.83331  20.11049       
18.40556  -6.871400      17.90294  42.86812 15.88822 29.38359 13.42576 
13.48453       20.80112 
1 1 1 16  5  10 o 71.67555 9.189919 56.83241       13.08624  75.65982       
19.16579  40.38898       17.91132  80.67617 12.05182 56.37907 15.25309 
24.29710       19.43973 
1 1 1 16  6  0  o 273.4730 4.279622 762.9771       23.79969  730.2910       
32.86499  799.0192       34.51099  267.1033 6.050661 279.3820 6.074458 
-12.27866      8.573770 
1 1 1 16  6  1  o 122.3337 7.122401 154.2180       17.64171  154.8589       
27.10477  153.7469       23.23759  121.4521 11.09722 121.5288 9.477801 
-0.7669067E-01 14.59373 
1 1 1 16  6  2  o 103.9704 7.372124 111.7530       15.48563  68.11022       
28.39302  130.2320       18.47543  77.64393 18.28468 112.0770 8.162461 
-34.43312      20.02387 
1 1 1 16  6  3  o 50.72229 16.72811 27.18105       20.02324  -92.14674      
56.91481  44.03656       21.39072  41.38882 20.24893 62.68801 16.54004 
-21.29919      26.14559 
1 1 1 16  6  4  o 38.17439 16.07795 4.054688       21.27686  0.000000       
0.000000  4.054688       21.27686  ?        ?        38.17439 16.07795 
0.000000       16.07795 
1 1 1 16  6  5  o 100.2572 9.750226 105.8102       19.62693  98.21994       
32.25476  110.2732       24.73289  93.10741 17.68225 101.4057 12.24158 
-8.298279      21.50624 
1 1 1 16  6  6  o 88.45715 10.07150 83.15203       17.79368  73.79656       
25.82498  91.60753       24.55144  80.56837 16.32180 91.35631 13.63287 
-10.78794      21.26632 
1 1 1 16  6  7  o 51.14169 14.76856 29.78523       16.21756  32.21519       
23.77005  27.66903       22.18236  53.41327 18.23398 50.32679 17.59351 
3.086479       25.33791 
1 1 1 16  6  8  o 57.19664 12.82603 37.37402       14.55004  38.89230       
20.79914  35.91895       20.36156  56.78238 16.81909 54.73497 16.73839 
2.047413       23.72879 
1 1 1 16  6  9  o 66.05598 10.74626 48.92173       13.93890  60.49902       
20.84369  39.55579       18.74765  70.78181 14.94982 56.50787 15.73414 
14.27393       21.70392 
1 1 1 16  6  10 o 42.52695 13.27896 21.80081       12.73927  13.27433       
19.10170  28.63128       17.09669  38.17230 15.57535 47.54244 15.44668 
-9.370144      21.93607 
1 1 1 16  7  0  o 74.94540 7.863445 58.38165       11.80562  70.64998       
16.16572  44.36145       17.28141  82.05025 9.887834 63.79602 13.72783 
18.25424       16.91811 
1 1 1 16  7  1  o 84.73753 9.883841 75.40658       16.71148  79.39358       
26.51703  72.77974       21.52378  84.99525 15.92712 82.18787 13.33536 
2.807388       20.77270 
1 1 1 16  7  2  o 71.47145 10.08236 54.07526       14.24661  33.91042       
26.02291  62.70570       17.02452  56.57903 19.07965 76.72079 11.24601 
-20.14176      22.14737 
1 1 1 16  7  3  o 122.9894 9.081895 157.6245       22.55343  153.0214       
59.09628  158.4092       24.40025  111.9286 26.39311 123.0418 9.834095 
-11.11320      28.16568 
1 1 1 16  7  4  o 66.85615 12.83219 48.75780       16.81152  101.0157       
25.97063  11.06577       22.05623  96.61807 13.59417 42.02182 16.88368 
54.59625       21.67626 
1 1 1 16  7  5  o 88.36252 11.27250 83.41917       19.79390  64.64468       
26.52144  107.0266       29.73979  75.13825 17.65642 98.41623 15.36186 
-23.27798      23.40376 
1 1 1 16  7  6  o 106.2399 10.26307 119.8030       21.89648  129.4644       
48.59246  117.3413       24.52786  101.9298 23.86408 104.4627 11.75036 
-2.532898      26.60010 
1 1 1 16  7  7  o 59.34718 17.68031 41.63485       22.93458  0.000000       
0.000000  41.63485       22.93458  ?        ?        59.34718 17.68031 
0.000000       17.68031 
1 1 1 16  7  8  o 37.72956 14.59859 12.51936       15.94105  -1.213588      
27.04434  19.83117       19.73363  38.44109 17.12261 43.92365 16.41733 
-5.482552      23.72156 
1 1 1 16  7  9  o 44.61547 14.12564 23.57288       14.36606  19.75340       
23.35166  25.89875       18.22255  43.95554 17.46908 46.48575 15.96319 
-2.530216      23.66416 
1 1 1 16  8  0  o 97.78666 7.030988 98.63772       13.88797  111.9853       
17.65965  77.00162       22.48383  103.9140 8.429777 84.61359 13.52240 
19.30041       15.93475 
1 1 1 16  8  1  o 65.61610 10.93962 45.97725       14.08306  80.92307       
26.37620  32.04221       16.65593  85.88122 15.68080 54.02443 14.74770 
31.85679       21.52631 
1 1 1 16  8  2  o 123.0611 6.238267 155.7217       15.56016  151.6396       
29.78592  157.2539       18.24809  119.4730 12.44253 123.4122 7.303734 
-3.939178      14.42779 
1 1 1 16  8  3  o 144.8293 7.976974 217.1869       23.40282  193.8766       
58.23988  221.6757       25.55696  128.7305 23.09648 146.0962 8.640810 
-17.36575      24.65990 
1 1 1 16  8  4  o 99.80141 9.062719 104.2202       18.19222  83.88294       
26.53000  122.2706       24.99401  87.05255 15.55760 107.2266 11.65001 
-20.17406      19.43610 
1 1 1 16  8  5  o 166.0370 7.247122 284.5864       24.46932  229.2281       
32.44465  357.6091       37.26328  147.2589 10.91219 184.6490 9.960755 
-37.39014      14.77473 
1 1 1 16  8  6  o 141.3893 6.815282 206.5300       19.59529  172.9082       
28.72724  235.7857       26.79717  127.2346 11.21772 150.0348 8.821871 
-22.80024      14.27104 
1 1 1 16  8  7  o 94.65482 23.26648 115.8055       44.46746  0.000000       
0.000000  115.8055       44.46746  ?        ?        94.65482 23.26648 
0.000000       23.26648 
1 1 1 16  8  8  o 59.36699 12.71876 40.31918       14.89245  62.40619       
22.37348  22.74821       19.95551  72.42362 15.64846 45.66511 16.60575 
26.75851       22.81721 
1 1 1 16  8  9  o 53.35257 15.81068 35.55409       18.37658  0.000000       
0.000000  35.55409       18.37658  ?        ?        53.35257 15.81068 
0.000000       15.81068 
1 1 1 16  9  0  o 147.9367 6.783245 224.5323       20.40633  217.1921       
30.79198  230.2806       27.24946  144.2187 10.57310 149.0439 9.033320 
-4.825226      13.90652 
1 1 1 16  9  1  o 85.92329 8.428345 76.89863       14.53709  84.10316       
26.58892  73.82684       17.36174  87.61935 15.48935 83.64393 10.43414 
3.975418       18.67595 
1 1 1 16  9  2  o 113.8049 6.677207 133.4844       15.38513  108.6425       
28.69911  143.5028       18.22527  100.0781 14.52629 117.7693 7.651589 
-17.69115      16.41828 
1 1 1 16  9  3  o 95.99783 11.23236 97.79572       21.51268  125.6224       
56.32644  93.04343       23.27729  100.5723 26.98176 93.10268 12.61997 
7.469604       29.78723 
1 1 1 16  9  4  f 49.76352 14.51816 27.20549       15.60082  25.36311       
22.25449  28.98575       21.87616  50.00847 17.61293 52.17571 17.49405 
-2.167240      24.82452 
1 1 1 16  9  5  o 92.89698 10.67118 91.77981       19.79285  119.8921       
27.37817  61.00018       28.64760  105.2584 13.07221 72.26610 19.17658 
32.99232       23.20827 
1 1 1 16  9  6  o 108.5842 8.176759 123.3856       17.92255  120.3668       
26.50430  125.9289       24.32794  105.2205 12.63990 108.3884 11.19896 
-3.167953      16.88738 
1 1 1 16  9  7  o 104.0700 10.60666 116.6693       22.13311  127.9035       
25.57769  83.18256       44.15981  108.3070 11.80439 78.51449 24.75596 
29.79256       27.42629 
1 1 1 16  9  8  o 78.96568 9.865059 67.87739       15.49564  64.97862       
23.19090  70.21541       20.82743  73.56422 15.96118 78.15760 13.59812 
-4.593376      20.96827 
1 1 1 16  9  9  o 27.52372 12.18026 -1.224352      13.46729  22.43291       
23.35139  -13.01451      16.48505  44.99814 17.59669 25.89141 12.18309 
19.10673       21.40260 
1 1 1 16  10 0  o 165.6532 6.686377 281.5273       22.52382  270.8908       
32.99697  290.8073       30.82121  161.2722 10.11267 167.4965 9.082788 
-6.224258      13.59276 
1 1 1 16  10 1  o 89.12466 7.985695 82.51688       14.31964  56.56431       
26.08767  93.70819       17.13111  70.78323 18.06388 94.76185 8.997906 
-23.97862      20.18083 
1 1 1 16  10 2  o 103.1139 8.794675 110.8325       18.26487  0.000000       
0.000000  110.8325       18.26487  ?        ?        103.1139 8.794675 
0.000000       8.794675 
1 1 1 16  10 3  o 172.5117 7.721437 307.1380       27.08744  0.000000       
0.000000  307.1380       27.08744  ?        ?        172.5117 7.721437 
0.000000       7.721437 
1 1 1 16  10 4  o 154.2301 6.411031 244.5546       20.10705  268.3701       
30.58201  226.4208       26.68585  160.2865 9.423944 147.3817 8.946350 
12.90477       12.99415 
1 1 1 16  10 5  o 168.2682 6.288350 291.3925       21.51742  364.0951       
32.66233  235.6461       28.60096  187.1235 8.583557 149.9275 9.429000 
37.19603       12.75082 
1 1 1 16  10 6  o 151.1073 6.372584 235.6516       19.58179  214.4887       
27.74087  256.6685       27.64504  142.5258 9.627844 156.4715 8.722915 
-13.94563      12.99171 
1 1 1 16  10 7  o 72.25512 13.72182 59.17933       19.42461  87.13786       
22.89634  -12.61950      36.69167  88.36252 13.14242 41.41137 19.03169 
46.95115       23.12852 
1 1 1 16  10 8  o 29.90047 12.92145 1.144919       14.38589  -12.64717      
21.06855  13.19205       19.69072  30.38133 14.12333 39.79353 15.96524 
-9.412195      21.31566 
1 1 1 16  10 9  o 39.43631 13.32320 17.83366       12.68937  27.58202       
18.36910  8.935433       17.54987  47.23940 16.02962 35.58107 14.76512 
11.65833       21.79352 
1 1 1 16  11 0  o 180.8992 5.056764 334.5009       18.60205  320.6449       
34.83530  340.0282       22.00164  175.5832 9.795337 182.2052 5.938036 
-6.622040      11.45465 
1 1 1 16  11 1  o 40.25535 13.56759 16.26303       13.15886  44.84461       
24.40057  4.541842       15.62581  63.20577 18.07489 33.93646 13.99444 
29.26931       22.85926 
1 1 1 16  11 2  o 223.7197 5.705285 512.9037       25.95572  0.000000       
0.000000  512.9037       25.95572  ?        ?        223.7197 5.705285 
0.000000       5.705285 
1 1 1 16  11 3  o 120.2004 6.958046 149.2107       16.93492  137.0107       
25.05171  159.4773       22.98121  113.8622 10.95468 123.5771 9.211157 
-9.714897      14.31260 
1 1 1 16  11 4  o 102.8184 8.676932 110.4712       17.97266  101.8588       
26.74036  117.5675       24.27279  96.64527 14.01500 105.0322 11.55550 
-8.386879      18.16452 
1 1 1 16  11 5  o 37.06472 14.65611 9.524783       16.35988  32.03218       
24.53684  -8.489020      21.95123  54.23104 18.52569 33.49605 15.13060 
20.73499       23.91937 
1 1 1 16  11 6  o 50.85333 15.03069 29.26780       16.62546  41.59896       
24.97604  19.45653       22.27841  59.55687 18.59262 45.72597 17.36642 
13.83090       25.44166 
1 1 1 16  11 7  o 50.31565 16.38078 29.17337       19.22336  24.60304       
22.71112  40.72091       36.10018  48.06762 17.67921 58.73625 22.15471 
-10.66863      28.34406 
1 1 1 16  11 8  o 58.32773 13.43731 39.84133       15.61003  66.14581       
25.43200  23.94086       19.77291  72.70223 17.42849 45.91291 16.55498 
26.78932       24.03788 
1 1 1 16  11 9  o 25.92464 11.58881 -2.381549      12.50771  -14.34375      
18.58630  7.519640       16.90951  27.22926 12.85015 34.35361 14.39375 
-7.124350      19.29525 
1 1 1 16  12 0  o 152.2057 5.473590 237.0652       16.94161  225.1559       
32.12587  241.6530       19.93958  146.5961 10.85371 153.4940 6.388122 
-6.897903      12.59410 
1 1 1 16  12 1  o 124.1825 6.158675 158.1772       15.55246  118.9191       
27.96189  175.7622       18.71430  105.2575 13.36480 130.5370 7.076428 
-25.27951      15.12262 
1 1 1 16  12 2  o 139.9258 7.611318 202.5078       21.57608  0.000000       
0.000000  202.5078       21.57608  ?        ?        139.9258 7.611318 
0.000000       7.611318 
1 1 1 16  12 3  o 70.59196 11.17799 53.47765       15.51163  53.58353       
24.25048  53.40434       20.17975  68.64190 17.36133 69.34180 14.76370 
-0.6999054     22.78997 
1 1 1 16  12 4  o 139.6109 6.583055 200.6518       18.68952  178.6783       
27.83200  218.6977       25.22224  130.0815 10.61401 144.8873 8.599052 
-14.80577      13.66020 
1 1 1 16  12 5  f 40.94221 14.83431 16.00208       15.90416  12.33341       
24.26930  18.76342       21.05532  43.47312 17.62453 45.14529 16.94164 
-1.672173      24.44674 
1 1 1 16  12 6  o 110.3507 8.962640 128.5691       19.93855  124.1431       
26.09365  134.7793       30.90866  106.7560 12.24084 110.1168 14.12895 
-3.360847      18.69399 
1 1 1 16  12 7  o 45.59982 14.41357 23.58050       14.96243  20.53172       
21.69655  26.34534       20.66153  45.26701 17.15104 48.46445 16.97760 
-3.197441      24.13290 
1 1 1 16  12 8  o 20.99712 10.25125 -23.69453      14.36532  -0.3742769     
24.87272  -35.36696      17.59695  36.72162 16.38400 21.78384 10.77351 
14.93778       19.60878 
1 1 1 16  12 9  o 37.65407 13.09869 16.04991       12.28862  -12.00723      
17.58162  42.84836       17.18273  26.97920 12.65872 58.77515 14.47248 
-31.79595      19.22748 
1 1 1 16  13 0  o 116.5120 6.269552 139.6239       14.79986  100.2964       
27.79741  155.1825       17.48399  96.10159 14.69060 122.6721 7.038239 
-26.57053      16.28958 
1 1 1 16  13 1  o 122.8436 7.203937 155.8499       17.91720  0.000000       
0.000000  155.8499       17.91720  ?        ?        122.8436 7.203937 
0.000000       7.203937 
1 1 1 16  13 2  o 186.6073 5.049642 356.3641       19.16199  344.8571       
36.28834  360.8133       22.56437  181.6794 9.859141 187.5428 5.916589 
-5.863373      11.49820 
1 1 1 16  13 3  o 44.21753 14.72523 20.31958       15.50168  -1.353617      
23.43017  37.19231       20.67315  37.46703 16.33877 57.56555 16.68903 
-20.09851      23.35549 
1 1 1 16  13 4  o 92.07217 9.563390 89.40784       17.64448  55.23204       
26.81689  115.4976       23.43063  68.96996 18.66549 104.0999 11.24707 
-35.12997      21.79214 
1 1 1 16  13 5  o 120.7011 7.318822 151.3918       17.87916  151.6807       
26.23660  151.1413       24.42988  119.2591 10.94040 119.4269 10.15569 
-0.1678162     14.92751 
1 1 1 16  13 6  o 82.27672 11.55090 73.85275       18.79366  59.13567       
25.28318  92.02554       28.09518  70.47999 17.67294 89.43996 16.03628 
-18.95998      23.86410 
1 1 1 16  13 7  o 59.20929 13.09652 40.17237       15.35058  23.68690       
23.25390  52.90460       20.43606  47.33025 17.79585 66.92859 15.34305 
-19.59834      23.49684 
1 1 1 16  13 8  o 75.98415 10.67129 64.34864       16.03432  76.35271       
26.69064  57.57002       20.05697  77.75329 17.32401 69.19255 14.70770 
8.560738       22.72527 
1 1 1 16  13 9  o 50.14562 12.79890 30.38435       13.09534  14.33586       
19.80162  42.85905       17.45818  38.97079 15.87474 58.40805 14.70755 
-19.43726      21.64069 
1 1 1 16  14 0  o 91.79190 10.10663 88.65990       18.55264  30.74149       
26.23425  146.6062       26.24055  54.72121 19.13281 117.9515 11.06952 
-63.23029      22.10427 
1 1 1 16  14 1  o 108.4484 8.225472 122.2390       18.00483  0.000000       
0.000000  122.2390       18.00483  ?        ?        108.4484 8.225472 
0.000000       8.225472 
1 1 1 16  14 2  o 124.0988 6.473209 158.7265       16.27912  207.0234       
31.30741  140.8291       19.05817  140.0543 11.08310 116.4224 8.100409 
23.63195       13.72778 
1 1 1 16  14 3  o 90.21162 9.139045 85.47652       16.53406  71.71767       
25.57103  95.36169       21.67451  79.85767 16.29803 94.49013 11.51844 
-14.63245      19.95746 
1 1 1 16  14 4  o 102.6905 8.733197 110.4872       18.06393  72.77571       
27.10698  140.6121       24.22739  79.74512 17.21970 115.2373 10.45233 
-35.49217      20.14371 
1 1 1 16  14 5  o 166.2076 5.920588 284.4526       20.01093  231.9562       
29.46661  329.3855       27.26132  148.1714 9.835340 178.1673 7.524326 
-29.99588      12.38343 
1 1 1 16  14 6  o 85.91825 10.97449 80.12653       18.73633  62.45248       
24.51698  104.9412       29.05047  72.67305 16.90804 95.80602 15.43549 
-23.13297      22.89402 
1 1 1 16  14 7  o 93.08466 8.469947 92.35319       15.85743  94.83099       
23.33372  90.22674       21.61622  91.71363 12.86511 89.90508 12.13337 
1.808548       17.68416 
1 1 1 16  14 8  o 34.07573 14.39254 6.076482       17.12810  -17.78619      
20.38227  63.42819       31.59848  27.99898 13.28542 66.90255 20.91720 
-38.90357      24.77966 
1 1 1 16  14 9  o 82.43090 9.752835 76.06886       16.03139  55.26936       
32.45407  82.78222       18.43795  59.56327 21.23811 85.09095 10.90663 
-25.52768      23.87492 
1 1 1 16  15 0  o 51.96774 17.98932 27.75918       23.16435  0.000000       
0.000000  27.75918       23.16435  ?        ?        51.96774 17.98932 
0.000000       17.98932 
1 1 1 16  15 1  o 58.97828 11.73935 37.78446       13.58444  -13.01647      
25.72065  57.43723       15.99771  35.39962 16.14256 73.27656 11.08208 
-37.87693      19.58047 
1 1 1 16  15 2  o 173.5711 5.126642 308.5010       18.09514  334.3880       
34.77229  298.8872       21.19045  178.8950 9.593338 170.5924 6.108423 
8.302567       11.37299 
1 1 1 16  15 3  o 95.37035 8.725756 95.25082       16.73508  102.6867       
25.95789  89.96187       21.89209  97.18792 13.49875 91.46835 12.06406 
5.719574       18.10409 
1 1 1 16  15 4  o 156.6400 6.457498 252.8487       20.56924  245.2183       
30.93025  258.8990       27.54224  152.5334 10.02753 157.4590 8.634562 
-4.925629      13.23280 
1 1 1 16  15 5  o 71.67876 11.07473 55.76709       15.62235  33.72493       
23.01748  74.59343       21.27226  54.48455 17.93367 82.14233 13.18060 
-27.65778      22.25635 
1 1 1 16  15 6  o 71.22927 11.46864 55.88250       16.04807  64.15295       
22.81170  47.77856       22.58088  74.20992 15.61091 63.14875 17.14381 
11.06116       23.18644 
1 1 1 16  15 7  o 50.63087 14.11053 30.19195       15.07097  13.46869       
22.67747  43.42072       20.16945  41.43196 16.94546 59.65049 16.20611 
-18.21853      23.44753 
1 1 1 16  15 8  o 41.98808 15.26119 20.09429       16.85180  25.23883       
19.84746  6.805368       31.89897  45.82237 16.57633 41.75208 18.59682 
4.070290       24.91217 
1 1 1 16  15 9  o 30.52819 13.04149 4.378342       14.33967  -18.00029      
31.56740  10.19675       16.09623  34.22303 16.32200 34.75319 14.25231 
-0.5301590     21.66878 
1 1 1 16  16 0  o 140.0727 9.301061 204.6150       26.34275  0.000000       
0.000000  204.6150       26.34275  ?        ?        140.0727 9.301061 
0.000000       9.301061 
1 1 1 16  16 1  o 103.5616 6.958695 110.9221       14.56964  82.61937       
27.46337  122.0077       17.18771  86.00479 16.29948 108.3924 7.850905 
-22.38765      18.09171 
1 1 1 16  16 2  o 182.4863 5.080106 341.0383       18.85188  310.6134       
36.04558  352.4939       22.11799  171.9406 10.35748 185.3038 5.869620 
-13.36325      11.90503 
1 1 1 16  16 3  o 99.69801 8.325195 103.8448       16.72402  79.49784       
26.01023  121.0046       21.83623  84.21925 15.76682 107.0027 10.15707 
-22.78347      18.75523 
1 1 1 16  16 4  o 167.5495 6.065543 289.0146       20.66637  281.0356       
31.50420  295.0417       27.38096  163.4967 9.516790 168.5220 7.989885 
-5.025284      12.42608 
1 1 1 16  16 5  o 132.5673 9.003704 185.3139       24.12830  0.000000       
0.000000  185.3139       24.12830  ?        ?        132.5673 9.003704 
0.000000       9.003704 
1 1 1 16  16 6  o 21.26317 10.30914 -21.22169      13.84972  -12.13502      
19.96173  -29.65579      19.23160  29.97288 13.86854 24.73630 12.02858 
5.236576       18.35820 
1 1 1 16  16 7  o 92.68436 9.031749 92.68961       16.80646  87.51984       
27.85906  95.64752       21.07290  84.46335 16.81100 92.62031 11.43089 
-8.156960      20.32917 
1 1 1 16  16 8  o 54.21423 14.78146 36.65703       16.74427  27.59519       
19.85621  58.96356       31.15330  47.02160 16.62867 63.34672 20.86438 
-16.32512      26.68024 
1 1 1 16  17 0  o 193.5812 4.984322 383.4695       19.62098  383.0148       
39.24245  383.6210       22.65625  191.3206 10.12257 193.4122 5.760403 
-2.091614      11.64683 
1 1 1 16  17 1  o 50.37355 15.20533 27.86703       16.88109  -0.2042999     
22.88717  61.35862       24.99934  37.48582 16.24866 73.49937 17.05537 
-36.01356      23.55641 
1 1 1 16  17 2  f 171.7934 5.224054 302.4514       18.25011  330.3720       
36.45068  293.1107       21.08297  177.3646 10.14832 168.8674 6.139520 
8.497177       11.86095 
1 1 1 16  17 3  o 127.9735 6.837550 169.4345       17.72952  146.4145       
26.22757  188.8055       24.05919  117.2628 11.13229 134.3449 8.856277 
-17.08211      14.22539 
1 1 1 16  17 4  o 69.27614 12.27946 52.72018       16.66541  35.86805       
25.41512  65.43212       22.07348  56.29379 18.85615 76.23102 14.77271 
-19.93723      23.95386 
1 1 1 16  17 5  o 49.24313 14.36393 27.56370       15.27227  41.37558       
22.85280  16.41692       20.52994  59.08513 17.65933 42.95378 16.58190 
16.13134       24.22419 
1 1 1 16  17 6  o 69.26646 10.79824 52.80820       14.71401  49.28408       
21.44803  55.94138       20.22343  63.98239 16.40647 69.18374 14.82099 
-5.201347      22.10959 
1 1 1 16  17 7  o 31.28579 13.38824 3.037952       15.15948  8.253199       
25.73294  0.2660135      18.76047  40.15581 17.31761 32.78941 14.44992 
7.366405       22.55438 
1 1 1 16  17 8  o 24.01020 11.51287 -17.71258      16.16630  -22.55862      
19.40816  -6.730706      29.21654  25.66599 12.38515 36.10133 16.73026 
-10.43534      20.81571 
1 1 1 16  18 0  o 40.39270 13.37827 16.79040       12.80181  -24.00999      
25.02393  31.25389       14.89909  31.76960 14.96765 53.12686 13.70170 
-21.35726      20.29204 
1 1 1 16  18 1  o 171.5119 6.421080 302.6064       22.39514  332.3067       
36.32209  284.3906       28.44551  177.9683 10.07775 165.3510 8.488318 
12.61732       13.17621 
1 1 1 16  18 2  o 96.32093 7.342137 96.39437       14.27286  84.12646       
26.92677  101.1881       16.83202  86.64429 15.86718 98.35036 8.499590 
-11.70606      18.00029 
1 1 1 16  18 3  o 78.11161 10.87143 65.54176       16.80029  19.60448       
28.11818  91.04581       20.95121  48.76404 19.23578 92.03683 11.44116 
-43.27279      22.38114 
1 1 1 16  18 4  o 131.7285 6.925537 180.1379       18.48661  205.2197       
29.07891  163.1245       23.94938  138.9005 10.36968 124.1820 9.557255 
14.71856       14.10218 
1 1 1 16  18 5  o 73.74651 11.10624 59.49563       16.13896  84.88727       
25.65164  42.85921       20.76346  85.97841 15.22891 60.17080 16.48288 
25.80761       22.44114 
1 1 1 16  18 6  o 29.88857 12.77244 2.015589       13.76226  -23.00051      
19.12798  28.86306       19.81578  26.01520 12.48720 49.56072 16.64969 
-23.54552      20.81207 
1 1 1 16  18 7  o 83.62402 9.634434 76.82541       16.08397  99.72391       
22.63198  53.45887       22.86211  93.42740 12.20393 64.51119 17.13699 
28.91621       21.03836 
1 1 1 16  18 8  o 37.97654 13.44158 16.60269       12.97692  75.47255       
20.76105  -21.14647      16.62481  79.06876 13.38990 23.45904 11.35464 
55.60973       17.55612 
1 1 1 16  19 0  o 131.0410 5.915849 176.3135       15.76434  217.8795       
32.24210  163.2551       18.07175  143.5204 11.13451 125.6340 7.102715 
17.88643       13.20704 
1 1 1 16  19 1  o 85.69477 10.96576 78.42377       18.67101  82.14744       
28.42952  75.59956       24.75898  85.10136 17.02245 82.32084 15.35495 
2.780525       22.92462 
1 1 1 16  19 2  o 166.3921 5.347342 284.0518       18.09348  295.0971       
36.04944  280.3325       20.91922  167.0783 10.66594 165.0339 6.233340 
2.044373       12.35382 
1 1 1 16  19 3  o 119.6345 6.493861 148.0956       15.73913  111.1357       
28.81610  163.8097       18.78941  100.0639 14.59066 125.5220 7.393740 
-25.45808      16.35710 
1 1 1 16  19 4  o 89.23464 9.332453 84.65097       16.68429  84.55219       
25.35183  84.72643       22.15940  86.39317 14.97295 87.65888 12.80916 
-1.265717      19.70441 
1 1 1 16  19 5  o 93.55159 8.534337 92.87241       16.05704  80.70324       
23.38910  103.7207       22.08330  84.17876 14.16653 97.39984 11.36307 
-13.22108      18.16067 
1 1 1 16  19 6  o 118.5251 6.797059 147.3964       16.31417  134.4243       
23.53062  159.4037       22.63866  110.7799 10.57369 121.7305 9.213599 
-10.95058      14.02474 
1 1 1 16  19 7  o 38.46221 14.17341 15.98663       14.60684  -15.41487      
20.03909  51.58507       21.33627  28.19333 13.31668 63.48236 16.40844 
-35.28902      21.13222 
1 1 1 16  19 8  o 21.88972 10.50673 -15.35290      13.53989  9.060137       
30.62848  -21.28262      15.09495  40.33827 18.07599 21.88058 10.64381 
18.45768       20.97694 
1 1 1 16  20 0  o 140.8678 5.580140 203.6069       15.98484  208.1979       
32.01386  202.0823       18.44923  140.0746 11.33619 140.1200 6.474803 
-0.4541016E-01 13.05497 
1 1 1 16  20 1  o 162.4024 5.126791 270.3416       16.93127  237.2041       
32.10980  283.1034       19.92656  149.8250 10.60763 165.9739 5.903929 
-16.14893      12.13995 
1 1 1 16  20 2  o 165.6140 5.311688 281.5019       17.88879  308.3234       
36.69447  273.1402       20.48837  170.6620 10.62605 162.8656 6.186239 
7.796478       12.29563 
1 1 1 16  20 3  o 144.6523 5.852255 215.4804       17.21472  203.9566       
33.76825  219.5269       20.01017  137.3936 12.21358 145.6983 6.753745 
-8.304718      13.95653 
1 1 1 16  20 4  o 127.8120 8.949401 172.6938       23.11362  0.000000       
0.000000  172.6938       23.11362  ?        ?        127.8120 8.949401 
0.000000       8.949401 
1 1 1 16  20 5  o 63.01072 12.38088 44.86988       15.29835  21.68858       
22.91994  63.49546       20.54468  46.15102 17.59391 74.24822 14.12307 
-28.09720      22.56118 
1 1 1 16  20 6  o 32.93163 13.70629 6.010268       15.18734  43.40307       
26.31751  -12.66000      18.59628  57.64022 19.18605 28.12312 13.13856 
29.51710       23.25352 
1 1 1 16  20 7  o 27.04545 12.22910 -3.737838      14.38142  -10.30308      
20.01992  3.262444       20.67259  29.45490 13.71753 34.58534 15.20732 
-5.130440      20.48007 
1 1 1 16  20 8  o 20.86167 10.12639 -18.49361      13.46900  17.28638       
29.43344  -27.97071      15.14812  42.12416 18.34275 20.36428 10.05721 
21.75988       20.91899 
1 1 1 16  21 0  o 123.4089 6.083138 156.6042       15.26602  163.9431       
28.89260  153.7618       17.98088  123.9825 11.59435 121.7791 7.294424 
2.203384       13.69809 
1 1 1 16  21 1  o 158.2735 5.427065 257.1338       17.46725  280.9945       
35.66589  249.6049       20.03435  162.8582 10.83118 155.6748 6.328569 
7.183395       12.54453 
1 1 1 16  21 2  o 191.8965 6.163354 379.4453       24.05113  386.9249       
40.34354  375.3213       29.95656  191.1914 10.41586 190.1210 7.748372 
1.070389       12.98181 
1 1 1 16  21 3  o 121.9018 6.287379 153.8775       15.53279  148.5984       
30.04085  155.8038       18.14681  116.4974 12.89712 122.2696 7.332302 
-5.772217      14.83571 
1 1 1 16  21 4  o 27.40947 12.39993 -5.950229      14.80749  -11.37365      
23.22979  -2.238332      19.21793  32.97025 15.14895 32.93015 14.56263 
0.4009628E-01  21.01335 
1 1 1 16  21 5  o 87.00113 8.875117 81.19983       15.48197  70.98159       
22.64890  90.16210       21.21134  77.80872 14.85608 89.95453 11.88677 
-12.14581      19.02625 
1 1 1 16  21 6  o 200.0343 5.615016 416.3934       22.84058  439.2517       
38.80927  404.2803       28.25152  201.2213 9.484404 195.7673 7.096598 
5.454041       11.84549 
1 1 1 16  21 7  o 49.70834 12.96383 30.13696       13.24045  38.69949       
20.79188  24.29597       17.17261  53.58956 16.99647 44.16793 15.47763 
9.421627       22.98776 
1 1 1 16  22 0  o 40.20220 13.77705 16.40049       13.57049  15.11619       
26.77485  16.84445       15.74227  46.18194 18.58563 41.50985 14.79258 
4.672089       23.75386 
1 1 1 16  22 1  o 99.20390 7.510530 102.5407       15.03901  137.2108       
31.04711  91.91188       17.19038  111.8136 13.95854 93.33227 9.175987 
18.48130       16.70448 
1 1 1 16  22 2  o 125.0781 7.811539 163.3185       19.76925  168.2825       
32.73833  160.4696       24.80167  124.0885 13.17556 122.9643 10.00536 
1.124168       16.54396 
1 1 1 16  22 3  o 89.70281 8.236959 84.86072       14.85750  84.37315       
30.96387  85.00655       16.93433  83.74971 18.65883 89.27342 9.472859 
-5.523712      20.92575 
1 1 1 16  22 4  o 45.19587 14.28298 23.15293       14.69313  -2.785851      
22.22510  43.29152       19.58319  34.86934 15.52764 60.36791 15.77687 
-25.49857      22.13633 
1 1 1 16  22 5  o 115.9820 9.165672 144.8379       21.44139  0.000000       
0.000000  144.8379       21.44139  ?        ?        115.9820 9.165672 
0.000000       9.165672 
1 1 1 16  22 6  o 34.20298 13.41008 10.51746       13.58871  -6.321121      
20.54329  23.61621       18.11891  31.28197 14.32624 44.45991 15.86720 
-13.17794      21.37777 
1 1 1 16  22 7  o 35.94469 14.09406 13.21122       15.01112  9.958725       
35.06876  13.94085       16.60971  41.93267 19.01603 37.00964 14.72532 
4.923027       24.05088 
1 1 1 16  23 0  o 47.39512 13.72324 24.91072       13.98629  21.95974       
26.85133  26.00947       16.38447  49.29778 18.98257 48.52672 15.04420 
0.7710609      24.22119 
1 1 1 16  23 1  o 98.16082 9.509509 102.0372       18.74423  125.7757       
30.77289  88.03437       23.63468  106.4132 14.60599 89.37665 13.41832 
17.03656       19.83397 
1 1 1 16  23 2  o 100.7055 9.026993 107.2885       18.28997  123.8027       
30.27938  97.80157       22.94986  105.1871 14.54494 94.61552 12.21306 
10.57157       18.99248 
1 1 1 16  23 3  o 147.1952 5.562784 223.5113       16.65088  236.8517       
33.36107  219.0855       19.21541  147.9891 11.16786 145.3488 6.501100 
2.640289       12.92228 
1 1 1 16  23 4  o 76.55282 10.16152 63.94211       15.42782  66.28802       
24.10292  62.31388       20.08028  74.21561 16.40682 73.46733 13.95096 
0.7482834      21.53632 
1 1 1 16  23 5  o 116.0731 7.749191 143.3086       18.18596  124.1528       
31.97582  152.4674       22.11013  101.0963 16.09322 118.6598 9.235729 
-17.56344      18.55507 
1 1 1 16  23 6  o 102.4594 9.531794 116.1376       19.63217  0.000000       
0.000000  116.1376       19.63217  ?        ?        102.4594 9.531794 
0.000000       9.531794 
1 1 1 16  23 7  o 56.33438 13.44229 39.87672       15.18461  -27.84822      
32.55028  58.71445       17.16702  32.36594 15.71789 69.50905 12.60950 
-37.14311      20.15072 
1 1 1 16  24 0  o 19.98023 9.723251 -21.31242      12.63004  -49.79799      
22.98273  -8.987755      15.11739  24.65037 12.21269 26.78975 12.27651 
-2.139380      17.31654 
1 1 1 16  24 1  o 111.8319 6.723491 129.8450       15.21911  93.87703       
30.80081  141.4631       17.50536  89.76398 17.50240 116.4835 7.428910 
-26.71955      19.01375 
1 1 1 16  24 2  o 73.55989 9.067780 57.76309       13.27702  82.62206       
26.84623  49.71424       15.27597  84.35574 16.23942 67.16510 11.60407 
17.19064       19.95929 
1 1 1 16  24 3  o 148.5435 5.743958 228.1682       17.35068  257.5709       
35.94005  219.2331       19.81239  153.5811 11.59316 145.1631 6.711649 
8.418060       13.39580 
1 1 1 16  24 4  f 94.86278 8.079234 95.80556       15.43690  71.72958       
23.86212  113.1333       20.24360  77.33299 15.70969 102.0444 9.879120 
-24.71141      18.55779 
1 1 1 16  24 5  o 94.95152 8.675113 97.68588       16.56549  117.2678       
30.24307  89.29266       19.79990  97.82590 15.73623 88.98930 11.18878 
8.836609       19.30849 
1 1 1 16  24 6  o 22.16174 10.37843 -8.744205      11.72161  -20.68672      
17.49869  0.9760306      15.78687  24.31029 11.73823 29.99747 13.23560 
-5.687181      17.69087 
1 1 1 16  24 7  o 26.72553 12.09268 -2.255164      14.09005  -22.69611      
31.98271  2.667580       15.69526  32.57600 15.76297 30.08396 13.23886 
2.492043       20.58491 
1 1 1 16  25 0  o 105.8988 6.857699 116.5357       14.68866  136.5459       
31.58401  111.0133       16.59219  110.9052 14.34023 102.9533 7.987769 
7.951965       16.41483 
1 1 1 16  25 1  o 131.9900 6.555773 180.3495       17.59609  178.2070       
33.13752  181.1908       20.76552  127.4239 12.96923 131.6020 7.794140 
-4.178101      15.13108 
1 1 1 16  25 2  o 90.23849 7.996690 85.94581       14.52217  94.07877       
29.91714  83.43875       16.61034  89.10662 17.13271 88.29678 9.395189 
0.8098373      19.53969 
1 1 1 16  25 3  o 155.1779 6.790627 251.2418       21.42848  258.8331       
35.76430  246.9904       26.76451  153.5220 11.54029 152.4272 8.670496 
1.094788       14.43454 
1 1 1 16  25 4  o 56.78487 12.42949 37.36754       13.95455  21.85545       
20.83898  49.97812       18.78922  44.62699 16.83261 64.50633 14.65679 
-19.87934      22.31946 
1 1 1 16  25 5  o 50.62727 13.93862 31.51695       14.80455  35.15995       
25.30754  29.62173       18.25371  51.28955 18.69291 48.33604 15.97333 
2.953503       24.58804 
1 1 1 16  25 6  o 24.21309 11.05997 -4.437468      12.13794  -8.749084      
19.72174  -1.808399      15.40019  29.11227 13.57701 28.26250 12.72847 
0.8497639      18.61046 
1 1 1 16  26 0  o 81.66137 8.094481 70.25959       13.26472  59.95109       
26.71404  73.63294       15.28174  70.69456 18.40308 83.21014 9.184242 
-12.51557      20.56754 
1 1 1 16  26 1  o 124.8233 6.875391 162.3250       17.38467  204.2893       
33.37056  146.6937       20.36672  136.7647 12.12451 117.8653 8.555665 
18.89940       14.83924 
1 1 1 16  26 2  o 29.63423 12.35940 3.584290       12.38547  -45.22937      
24.57945  20.19666       14.33894  26.30402 12.95629 42.69043 14.15962 
-16.38641      19.19271 
1 1 1 16  26 3  o 80.21664 10.68179 71.03856       16.99135  75.80289       
27.74930  68.18079       21.49138  77.73916 17.92055 76.23904 14.38984 
1.500114       22.98289 
1 1 1 16  26 4  f 103.6449 8.194842 115.4429       17.13102  127.3108       
32.45846  110.8606       20.16886  101.5238 16.27160 100.2395 10.02901 
1.284332       19.11403 
1 1 1 16  26 5  o 70.64809 9.783669 56.13936       13.67847  41.84600       
21.68651  65.58236       17.62696  55.32186 17.33393 74.74555 12.00309 
-19.42369      21.08410 
1 1 1 16  26 6  o 26.05921 11.85059 -3.231501      13.74130  25.10683       
30.06657  -10.71349      15.44918  44.27776 18.89895 24.87778 11.73284 
19.39998       22.24477 
1 1 1 16  27 0  o 82.38771 8.177193 71.71912       13.51894  40.72947       
28.97160  80.34506       15.28507  58.48157 20.12543 87.01154 8.757509 
-28.52997      21.94828 
1 1 1 16  27 1  o 43.18737 14.07027 20.73280       14.18195  -5.277544      
27.14218  30.50070       16.63307  37.46097 16.88206 51.17392 15.00829 
-13.71295      22.58878 
1 1 1 16  27 2  o 52.51828 12.28710 31.57844       12.88913  7.284426       
27.96650  38.13038       14.52356  41.63552 18.00440 57.61338 12.73520 
-15.97786      22.05320 
1 1 1 16  27 3  o 92.14573 9.496096 92.53620       17.53899  99.33301       
31.58607  89.50633       21.08898  88.28661 18.19836 88.92990 11.96519 
-0.6432877     21.77949 
1 1 1 16  27 4  o 91.80087 8.962853 92.28712       16.51842  88.63414       
31.11275  93.72098       19.49258  80.24990 19.30131 91.16393 10.71934 
-10.91402      22.07816 
1 1 1 16  27 5  o 66.21896 10.29136 50.37112       13.40824  20.87986       
21.52840  69.06033       17.13802  41.95585 16.74204 76.85030 11.30413 
-34.89445      20.20097 
1 1 1 16  27 6  o 58.85851 12.81367 43.67935       14.90174  -1.093013      
33.29264  54.89655       16.66423  36.87033 17.33797 66.16490 12.84848 
-29.29457      21.57982 
1 1 1 16  28 0  o 102.4550 6.642036 109.4830       13.76383  136.6164       
28.89864  101.5221       15.65328  110.7526 13.08407 98.12794 7.911658 
12.62469       15.29010 
1 1 1 16  28 1  o 107.8264 6.606675 121.5311       14.41652  123.0021       
30.99228  121.1249       16.28573  102.7621 15.29737 107.2186 7.516932 
-4.456520      17.04447 
1 1 1 16  28 2  o 87.75546 8.839231 82.99053       15.55919  44.00428       
29.53093  97.97197       18.30620  57.92841 20.29685 94.93600 9.614949 
-37.00760      22.45906 
1 1 1 16  28 3  o 50.60448 12.76535 30.38313       13.13510  9.315057       
28.16031  36.24140       14.84943  41.08845 17.91529 54.99455 13.40096 
-13.90610      22.37283 
1 1 1 16  28 4  o 49.34717 13.84475 30.41321       14.45813  40.31781       
26.27484  26.11172       17.31534  53.07315 19.08982 45.33258 15.56112 
7.740566       24.62864 
1 1 1 16  28 5  o 82.62155 8.377184 75.74617       13.88022  68.54604       
22.27954  80.31351       17.74466  71.51880 15.74546 82.94018 10.77542 
-11.42138      19.07955 
1 1 1 16  28 6  o 25.53254 11.44476 -0.5813158     12.28777  6.454281       
20.20824  -4.708614      15.47786  33.42862 14.85062 26.45148 12.22962 
6.977142       19.23810 
1 1 1 16  29 0  o 39.39499 13.09830 16.91344       12.26726  9.049158       
27.18316  18.92463       13.74665  42.15853 17.98154 41.45486 13.86782 
0.7036667      22.70798 
1 1 1 16  29 1  o 26.50213 11.60461 -0.7943828     11.92769  22.34245       
27.23870  -6.283458      13.26734  47.14380 18.82577 25.36501 11.57717 
21.77880       22.10069 
1 1 1 16  29 2  o 29.44065 12.59088 2.502937       13.39269  5.833697       
24.23655  1.038839       16.06882  38.25871 16.65224 30.94306 13.51126 
7.315655       21.44415 
1 1 1 16  29 3  o 55.90272 12.94042 37.59971       14.41999  37.22793       
29.43775  37.71708       16.54032  51.98798 19.91059 54.91144 14.57132 
-2.923458      24.67296 
1 1 1 16  29 4  o 28.58714 12.85778 -1.437543      15.65452  24.55720       
19.55545  -47.81759      26.12105  43.65411 16.33784 25.67649 12.77155 
17.97762       20.73735 
1 1 1 16  29 5  o 27.14736 13.54503 -51.15076      30.34229  -51.15076      
30.34229  0.000000       0.000000  27.14736 13.54503 ?        ?        
0.000000       13.54503 
1 1 1 16  30 0  o 42.21996 12.78374 20.34837       11.91877  19.07196       
25.17427  20.71715       13.53143  45.05870 18.06100 42.65958 13.73077 
2.399117       22.68775 
1 1 1 16  30 1  o 63.49267 9.850808 44.58573       12.30671  43.67127       
25.03990  44.87697       14.13125  57.77359 18.68707 62.84073 11.48137 
-5.067135      21.93237 
1 1 1 16  30 2  o 43.37503 14.01924 22.56408       14.09485  12.18614       
28.62765  25.88475       16.19359  41.96193 18.18069 45.93163 15.03854 
-3.969696      23.59439 
1 1 1 16  30 3  o 66.82880 18.92593 64.49368       26.88699  64.49368       
26.88699  0.000000       0.000000  66.82880 18.92593 ?        ?        
0.000000       18.92593 
1 1 1 16  30 4  o 37.14700 15.66533 13.32742       20.24065  13.32742       
20.24065  0.000000       0.000000  37.14700 15.66533 ?        ?        
0.000000       15.66533 
1 1 1 16  30 5  o 28.68801 12.51397 3.789491       13.75325  -6.574426      
31.16461  6.296076       15.32643  34.12142 16.25806 30.86639 13.33802 
3.255028       21.02920 
1 1 1 16  31 0  o 147.8768 5.447083 226.9004       16.38006  234.0076       
36.49300  225.1072       18.33032  143.6323 12.62222 146.8948 6.136380 
-3.262466      14.03479 
1 1 1 16  31 1  o 64.19453 15.27122 51.16642       19.64543  29.80639       
30.23612  66.77131       25.84375  49.57504 19.82111 71.26556 17.86660 
-21.69053      26.68505 
1 1 1 16  31 2  f 26.06862 11.90029 -4.950433      14.02558  -10.88435      
27.70241  -2.905069      16.26417  34.00130 15.93315 28.83568 13.02484 
5.165627       20.57940 
1 1 1 16  31 3  o 75.25629 8.461809 62.87176       12.72508  64.76198       
30.89639  62.48561       13.96448  62.74651 20.78355 74.27084 9.460855 
-11.52433      22.83558 
1 1 1 16  31 4  o 46.91102 15.39932 31.06808       16.97579  28.75598       
21.43915  34.95407       27.79434  44.33419 16.98873 46.65227 18.87938 
-2.318085      25.39779 
1 1 1 16  32 0  o 33.28408 12.71370 10.36831       11.98302  29.46153       
29.07518  6.461565       13.15195  49.40019 19.53696 31.40841 12.88210 
17.99178       23.40174 
1 1 1 16  32 1  o 26.85426 11.74330 0.4142826      12.17883  -15.23742      
27.42699  4.258395       13.59238  32.97296 15.57578 30.12783 12.77840 
2.845123       20.14677 
1 1 1 16  32 2  o 42.35263 13.84899 22.51540       13.73472  37.74878       
29.73695  18.38447       15.48541  50.23659 19.79284 39.27983 14.57044 
10.95676       24.57751 
1 1 1 16  32 3  o 27.16875 11.90329 1.824629       12.56544  -18.50777      
27.58808  7.146619       14.11446  30.81730 14.84436 31.06790 13.09055 
-0.2505970     19.79185 
1 1 1 16  32 4  o 56.84929 12.44077 41.50031       13.98268  -46.44469      
31.62865  62.86388       15.58878  27.75654 13.84581 71.86298 11.01883 
-44.10643      17.69523 
1 1 1 16  33 0  o 92.77820 7.246381 92.11277       13.56308  110.0497       
32.26262  88.26221       14.94817  90.94985 18.08080 90.15469 8.244863 
0.7951660      19.87191 
1 1 1 16  33 1  o 71.64032 10.29269 58.73679       14.56406  31.03969       
27.42617  69.61454       17.18769  47.59813 18.92710 77.26497 11.27094 
-29.66684      22.02883 
1 1 1 16  33 2  o 31.12430 12.33177 9.256260       11.60376  54.39008       
26.61692  -1.334552      12.89352  58.29447 19.28968 26.02167 11.68955 
32.27280       22.55520 
1 1 1 16  33 3  o 59.35075 11.46880 43.45507       13.34096  28.09072       
30.56758  47.07033       14.82769  43.11865 18.73420 60.94676 12.38614 
-17.82811      22.45855 
1 1 1 16  34 0  o 56.79741 13.47578 40.11027       15.32999  93.00871       
31.36024  23.50063       17.57268  80.16553 19.43805 43.19084 15.60162 
36.97469       24.92485 
1 1 1 16  34 1  o 57.24928 12.20108 40.25418       13.76996  47.99621       
29.76752  38.14651       15.53163  53.76052 20.15001 54.16966 13.99878 
-0.4091339     24.53546 
1 1 1 16  34 2  o 34.44223 12.62923 14.22230       11.57696  18.53628       
28.88971  13.39702       12.63590  40.14651 17.79939 34.04211 13.04304 
6.104408       22.06669 
1 1 1 16  34 3  f 39.73608 13.05494 21.34046       12.19954  -1.678440      
26.99525  27.24800       13.67567  32.80560 15.48323 44.18210 13.75222 
-11.37651      20.70879 
1 1 1 16  35 0  o 31.39417 12.81703 8.416051       12.94448  -12.32238      
29.86396  13.21370       14.36394  33.58383 15.97780 35.10318 13.77977 
-1.519348      21.09910 
1 1 1 16  35 1  o 44.49918 12.34923 25.30746       11.56910  9.321280       
28.80003  28.38346       12.63320  37.49409 17.09143 46.76506 12.87621 
-9.270966      21.39892 
1 1 1 16  35 2  f 26.26384 11.31205 3.546006       10.95140  82.61816       
30.02310  -8.589555      11.76180  67.62296 20.24780 21.48200 10.16368 
46.14096       22.65555 
1 1 1 16  36 0  o 40.98726 13.22359 21.93504       12.54465  52.69961       
29.63750  15.22037       13.84614  54.19220 20.14633 35.68668 13.65806 
18.50552       24.33962 
1 1 1 16  36 1  o 91.53934 6.697854 91.67513       12.38138  101.9556       
31.77621  89.83494       13.44390  76.88544 20.09855 89.90130 7.420040 
-13.01586      21.42448 
1 1 1 16  36 2  o 27.88982 11.54947 7.012131       10.70606  -10.89016      
28.36172  9.986985       11.56142  30.69352 14.85008 30.28938 12.20476 
0.4041367      19.22189 
1 1 1 16  37 0  o 25.42841 11.04470 2.545964       10.61766  -27.53994      
27.88837  7.646102       11.48240  28.32562 13.92250 29.15009 12.00566 
-0.8244648     18.38402 
1 1 1 16  37 1  o 37.63209 12.15682 18.95892       10.59971  1.621750       
23.76504  23.26439       11.84295  31.77222 14.84647 41.07244 12.79978 
-9.300220      19.60235 
1 1 1 16  38 0  o 74.72028 7.561036 63.17096       11.33057  92.49668       
31.53935  58.82526       12.14110  68.23625 20.82551 71.09668 8.570414 
-2.860428      22.52008 
1 1 1 16  38 1  o 74.95048 7.731931 64.55434       11.61531  26.46012       
28.84253  71.92834       12.68981  38.53624 17.38137 78.79150 8.032316 
-40.25525      19.14759 
1 1 1 16  39 0  o 31.10830 12.49683 11.93893       12.08154  17.10684       
28.61499  10.81784       13.32770  35.69564 16.54751 30.70617 12.81491 
4.989468       20.92945 
1 1 1 17  0  0  o 119.1817 8.361400 147.6825       20.03559  147.6825       
20.03559  147.6825       20.03559  119.1817 8.361400 119.1817 8.361400 
0.000000       0.000000 
1 1 1 17  0  1  o 22.26505 15.34451 -15.99017      23.07475  -15.99017      
23.07475  -15.99017      23.07475  22.26505 15.34451 22.26505 15.34451 
0.000000       0.000000 
1 1 1 17  0  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 17  0  3  o 96.15485 14.95981 103.3446       27.14242  103.3446       
27.14242  103.3446       27.14242  96.15485 14.95981 96.15485 14.95981 
0.000000       0.000000 
1 1 1 17  0  4  o 87.82223 15.91947 88.64063       25.65966  88.64063       
25.65966  88.64063       25.65966  87.82223 15.91947 87.82223 15.91947 
0.000000       0.000000 
1 1 1 17  0  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 17  0  6  o 24.61653 16.27398 -1.958106      21.19282  -1.958106      
21.19282  -1.958106      21.19282  24.61653 16.27398 24.61653 16.27398 
0.000000       0.000000 
1 1 1 17  0  7  o 33.09684 19.18580 17.87786       21.08157  17.87786       
21.08157  17.87786       21.08157  33.09684 19.18580 33.09684 19.18580 
0.000000       0.000000 
1 1 1 17  0  8  o 42.06243 19.48519 30.80043       18.42086  30.80043       
18.42086  30.80043       18.42086  42.06243 19.48519 42.06243 19.48519 
0.000000       0.000000 
1 1 1 17  1  0  o 244.7849 4.384523 611.8913       21.82521  595.2967       
30.30396  629.7756       31.45949  240.9272 6.185319 247.7861 6.243432 
-6.858856      8.788550 
1 1 1 17  1  1  o 195.1691 6.655449 391.4408       26.41434  356.7953       
36.74652  428.4821       37.99585  184.9488 9.805444 203.2197 9.194307 
-18.27089      13.44180 
1 1 1 17  1  2  o 101.9262 8.356115 108.1975       17.16746  92.78268       
23.90921  124.6029       24.66536  92.74595 13.03703 108.3928 11.35890 
-15.64683      17.29130 
1 1 1 17  1  3  o 106.8897 10.97557 121.1763       23.51826  67.59595       
52.28470  134.7670       26.33259  75.43125 26.95034 112.4790 11.68298 
-37.04774      29.37368 
1 1 1 17  1  4  o 259.5114 12.54798 718.8970       66.21884  0.000000       
0.000000  718.8970       66.21884  ?        ?        259.5114 12.54798 
0.000000       12.54798 
1 1 1 17  1  5  o 41.79501 14.99196 17.34233       16.19463  10.52539       
24.05265  22.99536       21.90327  42.19477 17.37688 47.63462 17.38578 
-5.439854      24.58092 
1 1 1 17  1  6  o 28.87709 12.82835 -3.130805      15.07854  -44.64883      
21.44222  37.48609       21.20825  23.93405 11.84680 56.19197 17.06136 
-32.25793      20.77105 
1 1 1 17  1  7  o 106.9815 7.722489 121.2562       16.68739  150.6080       
24.18429  94.58105       23.05524  117.5738 10.21670 91.30162 12.76687 
26.27213       16.35157 
1 1 1 17  1  8  o 28.16207 12.09186 2.024170       12.44027  -2.593912      
17.49263  6.750011       17.69554  30.31246 13.61648 34.54758 14.61245 
-4.235121      19.97328 
1 1 1 17  2  0  f 210.8453 5.151561 454.7336       22.08789  462.8557       
27.33934  439.4672       37.48171  212.3962 6.329798 206.0365 8.945894 
6.359634       10.95880 
1 1 1 17  2  1  o 114.5216 7.233108 135.5568       16.75817  165.2053       
29.13295  120.8949       20.48698  124.9647 11.59641 107.4910 9.469179 
17.47370       14.97137 
1 1 1 17  2  2  o 143.9028 7.117063 213.2923       20.82675  181.6159       
27.27112  257.6198       32.26052  131.5077 10.27940 156.8023 10.17229 
-25.29463      14.46173 
1 1 1 17  2  3  o 92.28873 12.10128 91.46010       22.16344  66.46851       
51.57424  97.12083       24.54550  74.90402 26.76612 94.73373 13.09118 
-19.82970      29.79604 
1 1 1 17  2  4  o 108.1343 10.73234 124.3086       23.28810  97.11940       
26.25582  224.5973       50.42582  93.92608 14.18863 140.7368 18.03437 
-46.81072      22.94680 
1 1 1 17  2  5  o 129.3821 10.78938 178.8381       28.12827  178.8381       
28.12827  0.000000       0.000000  129.3821 10.78938 ?        ?        
0.000000       10.78938 
1 1 1 17  2  6  o 66.32134 16.37318 52.19127       21.94926  0.000000       
0.000000  52.19127       21.94926  ?        ?        66.32134 16.37318 
0.000000       16.37318 
1 1 1 17  2  7  o 29.00108 12.63621 0.1421864      13.98776  8.400631       
20.38004  -7.212882      19.23310  37.71257 15.80159 30.57758 13.94963 
7.134991       21.07801 
1 1 1 17  2  8  o 99.72696 10.37671 110.8416       20.73560  110.8416       
20.73560  0.000000       0.000000  99.72696 10.37671 ?        ?        
0.000000       10.37671 
1 1 1 17  3  0  o 152.0450 5.766453 236.8367       17.82921  263.7777       
22.36285  189.8373       29.53695  160.2085 6.864202 134.4249 10.89908 
25.78366       12.88049 
1 1 1 17  3  1  o 57.91817 12.08784 36.52822       13.77678  42.69459       
24.72982  33.75327       16.58951  61.62771 18.35914 55.20951 14.56560 
6.418201       23.43533 
1 1 1 17  3  2  o 131.1780 7.434041 178.0010       19.74913  167.0251       
26.48752  191.7412       29.63591  126.0153 10.43009 134.8720 10.89863 
-8.856682      15.08532 
1 1 1 17  3  3  o 114.8292 8.276725 137.3119       19.19732  134.3806       
28.89800  139.6273       25.68359  111.7166 12.96117 114.7151 11.15082 
-2.998512      17.09774 
1 1 1 17  3  4  o 98.09584 12.08982 103.7244       23.60656  120.8103       
26.63554  41.15805       50.96970  105.6937 12.64353 64.57921 25.76355 
41.11446       28.69877 
1 1 1 17  3  5  o 67.26591 12.55782 50.10706       16.54577  60.37887       
24.11666  40.97264       22.74229  72.00568 16.78076 59.20784 17.59858 
12.79783       24.31674 
1 1 1 17  3  6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 17  3  7  o 82.24067 9.302419 73.30453       15.28375  75.14814       
22.08172  71.60909       21.17572  80.32285 14.02950 78.55828 13.75673 
1.764572       19.64878 
1 1 1 17  3  8  o 35.21175 13.18104 12.58650       12.72983  20.82228       
18.39609  5.019377       17.63351  42.65701 15.86943 33.63862 14.41844 
9.018391       21.44132 
1 1 1 17  4  0  o 119.9885 6.738095 148.3674       16.37446  147.1454       
19.92223  150.9118       28.74705  119.0893 8.277921 119.3222 12.01057 
-0.2328949     14.58690 
1 1 1 17  4  1  o 50.77340 14.28731 28.33181       15.37342  47.82907       
22.79086  12.05372       20.82455  65.11500 17.02120 41.80693 16.53413 
23.30807       23.72970 
1 1 1 17  4  2  o 48.92894 17.32742 23.93918       21.56729  9.096478       
53.04572  26.87870       23.60652  57.00238 24.72266 51.40563 18.13629 
5.596752       30.66162 
1 1 1 17  4  3  o 152.6703 6.697311 240.0066       20.79249  231.8792       
29.71661  247.8019       29.10303  148.6667 9.885918 153.9579 9.339914 
-5.291183      13.60020 
1 1 1 17  4  4  o 74.98586 11.61612 60.87080       17.14015  67.95361       
25.53794  55.06495       23.12148  77.06329 16.77249 69.29565 16.62174 
7.767639       23.61353 
1 1 1 17  4  5  o 48.08468 15.11260 25.79283       16.47029  48.33808       
23.74507  4.888061       22.86486  64.00343 17.66548 38.92675 16.54456 
25.07669       24.20314 
1 1 1 17  4  6  o 119.0193 7.272323 148.2811       17.51674  159.3468       
25.47018  138.3502       24.12901  121.6218 10.39834 113.1438 10.61110 
8.478004       14.85668 
1 1 1 17  4  7  o 34.37577 13.52354 9.740339       13.86287  9.125689       
20.48350  10.25980       18.83075  38.03647 15.88162 37.66039 15.42665 
0.3760796      22.14063 
1 1 1 17  4  8  o 57.74312 15.64131 42.27687       18.82104  0.000000       
0.000000  42.27687       18.82104  ?        ?        57.74312 15.64131 
0.000000       15.64131 
1 1 1 17  5  0  o 178.9842 4.754499 327.4384       17.30497  318.5175       
23.66443  337.6919       25.37039  176.1003 6.608221 181.2458 6.883473 
-5.145554      9.542053 
1 1 1 17  5  1  o 32.16294 13.29885 3.860627       14.16402  10.87965       
24.04908  0.1327781      17.52626  43.22039 17.53659 33.31187 14.32906 
9.908520       22.64628 
1 1 1 17  5  2  o 67.88037 15.59829 51.61055       21.07948  -118.1105      
57.23791  78.24158       22.67305  38.53765 19.12425 84.77443 13.61273 
-46.23678      23.47431 
1 1 1 17  5  3  o 136.3103 11.29551 197.0219       31.02807  0.000000       
0.000000  197.0219       31.02807  ?        ?        136.3103 11.29551 
0.000000       11.29551 
1 1 1 17  5  4  o 76.72622 11.37374 63.56351       17.20851  56.52001       
25.49793  69.45544       23.32059  69.68204 17.89956 78.65745 15.12905 
-8.975410      23.43678 
1 1 1 17  5  5  o 118.9462 9.493191 149.8566       22.77096  158.3338       
26.58688  126.5188       44.11346  121.5419 10.87177 100.8304 22.12223 
20.71153       24.64931 
1 1 1 17  5  6  o 89.65221 8.915356 85.70180       16.03808  80.07199       
22.87283  91.14688       22.49444  83.98478 13.87739 90.52061 12.55847 
-6.535828      18.71623 
1 1 1 17  5  7  o 62.86757 11.76728 44.89765       14.49074  35.13694       
20.62239  54.41720       20.36603  53.27858 16.93016 67.16309 15.25865 
-13.88452      22.79159 
1 1 1 17  5  8  o 49.45777 13.97828 29.99620       14.68210  38.47395       
24.07601  24.97684       18.52543  53.47383 18.34960 45.23005 16.05462 
8.243778       24.38152 
1 1 1 17  6  0  f 69.61702 9.171485 51.06395       12.66787  39.35215       
16.56379  67.56712       19.66218  59.74588 13.89567 79.17044 12.63784 
-19.42456      18.78309 
1 1 1 17  6  1  o 103.7533 7.278982 111.4281       15.26040  107.3469       
28.56327  113.0584       18.05290  99.25412 14.58681 104.1513 8.600702 
-4.897133      16.93361 
1 1 1 17  6  2  o 68.45230 14.64792 52.03685       19.77381  114.9133       
52.64559  41.70945       21.33602  96.04613 26.21946 60.79647 16.73106 
35.24966       31.10287 
1 1 1 17  6  3  o 90.14724 10.54021 86.33694       18.95726  107.4506       
26.96502  65.70306       26.65687  99.33465 13.71479 75.68903 17.64460 
23.64562       22.34787 
1 1 1 17  6  4  o 48.78106 15.08500 26.31070       16.48520  24.91952       
24.86590  27.40166       22.01988  50.09032 18.48666 50.67135 17.53937 
-0.5810280     25.48305 
1 1 1 17  6  5  o 38.46747 15.93147 7.724926       20.37435  21.03622       
23.55386  -31.83763      40.60636  46.95317 17.85085 39.95988 18.89950 
6.993290       25.99699 
1 1 1 17  6  6  o 145.7634 6.167207 220.2465       18.28052  203.2579       
25.65719  237.7626       26.05246  138.1657 9.184134 149.8955 8.582574 
-11.72984      12.57016 
1 1 1 17  6  7  o 55.09459 12.93000 35.46859       14.23748  25.36067       
20.16452  45.51720       20.10529  46.69557 16.73109 60.71766 16.04265 
-14.02209      23.17965 
1 1 1 17  6  8  o 42.66487 14.00032 21.85488       14.03194  4.222250       
22.10820  33.74954       18.15812  35.84179 15.74392 51.37450 15.82282 
-15.53271      22.32113 
1 1 1 17  7  0  o 214.5591 4.596081 470.4439       20.05330  466.9526       
27.82433  474.2175       28.92711  213.2525 6.416220 214.8368 6.621325 
-1.584335      9.220077 
1 1 1 17  7  1  o 145.2881 6.917164 217.2389       20.43664  0.000000       
0.000000  217.2389       20.43664  ?        ?        145.2881 6.917164 
0.000000       6.917164 
1 1 1 17  7  2  o 104.7974 11.22493 116.6315       23.54920  0.000000       
0.000000  116.6315       23.54920  ?        ?        104.7974 11.22493 
0.000000       11.22493 
1 1 1 17  7  3  o 240.0741 6.741606 593.9399       32.91244  616.3773       
47.94683  573.9470       45.25974  242.8334 9.709573 234.4677 9.492435 
8.365662       13.57874 
1 1 1 17  7  4  o 75.29315 11.64348 61.51731       17.25219  54.56264       
26.37217  66.72017       22.81017  68.10930 18.54252 76.95541 15.11529 
-8.846107      23.92273 
1 1 1 17  7  5  o 128.0096 9.157992 173.2271       23.68188  184.0267       
27.54558  142.6260       46.36766  131.2414 10.40652 106.9162 22.05854 
24.32521       24.39006 
1 1 1 17  7  6  o 51.26525 14.30251 30.57934       15.47524  29.95601       
22.27999  31.16039       21.51086  50.87627 17.64081 51.56032 17.34708 
-0.6840515     24.74105 
1 1 1 17  7  7  o 68.97405 11.18612 53.51845       15.15235  57.66463       
22.24795  49.93135       20.69368  68.23488 16.26388 63.54132 16.01932 
4.693558       22.82833 
1 1 1 17  7  8  o 41.31030 14.18948 20.23777       14.39844  34.26536       
24.70412  13.02118       17.71919  50.66326 18.46809 37.53098 15.11404 
13.13229       23.86429 
1 1 1 17  8  0  o 87.86533 8.765931 80.71219       15.45364  54.16969       
26.23255  94.81926       19.12440  68.96283 18.37451 94.91261 10.06206 
-25.94978      20.94917 
1 1 1 17  8  1  o 73.49702 11.90770 58.21498       17.18822  0.000000       
0.000000  58.21498       17.18822  ?        ?        73.49702 11.90770 
0.000000       11.90770 
1 1 1 17  8  2  o 50.96174 13.82435 28.72805       14.68983  37.42059       
27.00962  25.07675       17.50525  58.29285 19.43829 48.35690 15.62288 
9.935947       24.93835 
1 1 1 17  8  3  o 67.64624 13.04531 50.35160       17.29484  61.23519       
25.17215  40.62019       23.80249  73.07765 17.22109 59.68380 18.06431 
13.39385       24.95767 
1 1 1 17  8  4  o 51.77149 16.54986 29.93508       19.68379  57.99675       
46.58273  23.83548       21.71795  69.38689 25.34987 48.26306 17.35609 
21.12383       30.72214 
1 1 1 17  8  5  o 58.14742 18.30005 40.02945       24.14141  0.000000       
0.000000  40.02945       24.14141  ?        ?        58.14742 18.30005 
0.000000       18.30005 
1 1 1 17  8  6  o 33.18030 14.11950 3.457726       16.69034  -48.01766      
27.02550  35.19534       21.22076  27.67614 13.62314 54.10909 17.17190 
-26.43295      21.91949 
1 1 1 17  8  7  o 65.67998 15.39887 52.79385       20.20987  0.000000       
0.000000  52.79385       20.20987  ?        ?        65.67998 15.39887 
0.000000       15.39887 
1 1 1 17  8  8  o 38.43977 13.56368 16.92033       13.20397  20.52776       
19.31513  13.75554       18.09135  42.23003 16.13878 37.99249 15.28177 
4.237549       22.22595 
1 1 1 17  9  0  o 102.2612 9.017493 109.2619       18.56003  0.000000       
0.000000  109.2619       18.56003  ?        ?        102.2612 9.017493 
0.000000       9.017493 
1 1 1 17  9  1  o 132.8731 7.089793 182.3830       19.08753  0.000000       
0.000000  182.3830       19.08753  ?        ?        132.8731 7.089793 
0.000000       7.089793 
1 1 1 17  9  2  o 38.67450 14.14419 13.58200       14.50749  30.98927       
26.75996  6.336244       17.26482  54.52165 19.30171 36.07778 14.77402 
18.44387       24.30695 
1 1 1 17  9  3  o 242.0098 7.443085 605.8023       36.63004  0.000000       
0.000000  605.8023       36.63004  ?        ?        242.0098 7.443085 
0.000000       7.443085 
1 1 1 17  9  4  o 30.61638 13.76006 -6.125043      17.88892  -15.39031      
24.02075  5.412725       26.80516  32.86813 15.21000 41.82412 17.84791 
-8.955990      23.44978 
1 1 1 17  9  5  o 58.09428 13.38192 38.31855       15.48317  28.35918       
21.31284  49.44884       22.53091  50.32732 17.26484 64.54706 16.94857 
-14.21974      24.19357 
1 1 1 17  9  6  o 35.64709 13.93273 10.54266       14.63358  23.36120       
20.70804  -2.243671      20.68200  46.26661 16.90199 33.73381 15.00317 
12.53279       22.60027 
1 1 1 17  9  7  o 21.20729 10.55393 -39.93340      17.93103  0.000000       
0.000000  -39.93340      17.93103  ?        ?        21.20729 10.55393 
0.000000       10.55393 
1 1 1 17  9  8  o 84.70041 11.61924 83.02905       19.48573  0.000000       
0.000000  83.02905       19.48573  ?        ?        84.70041 11.61924 
0.000000       11.61924 
1 1 1 17  10 0  o 63.62636 12.62182 44.17103       15.75432  0.000000       
0.000000  44.17103       15.75432  ?        ?        63.62636 12.62182 
0.000000       12.62182 
1 1 1 17  10 1  o 52.64335 12.83322 30.53243       13.61368  48.23113       
23.75382  21.87568       16.61270  65.08263 17.54780 45.77147 15.24383 
19.31116       23.24435 
1 1 1 17  10 2  o 136.1042 6.369911 190.5485       17.63017  198.7557       
32.88189  187.2372       20.88605  136.5736 11.96017 134.3593 7.676135 
2.214310       14.21157 
1 1 1 17  10 3  o 71.88116 11.89706 56.16349       16.78198  83.72566       
24.04188  29.97230       23.43631  87.13200 14.04631 52.71773 18.10338 
34.41428       22.91356 
1 1 1 17  10 4  o 117.4502 8.279598 144.5376       19.64830  148.8121       
27.16196  139.8459       28.45704  117.6015 11.50524 113.3898 12.55194 
4.211708       17.02709 
1 1 1 17  10 5  o 50.92430 14.56411 29.81988       15.84150  43.86102       
22.80538  16.72718       22.02169  60.51064 17.52444 43.63790 17.08182 
16.87273       24.47233 
1 1 1 17  10 6  o 29.06740 13.27608 -7.580279      17.48442  -7.107544      
19.94669  -9.148298      36.32771  31.33069 14.25940 41.09460 18.90495 
-9.763918      23.67968 
1 1 1 17  10 7  o 37.79160 14.04737 14.91416       14.40822  9.478637       
23.11491  18.36806       18.42581  38.95766 16.59802 41.44227 15.78066 
-2.484608      22.90248 
1 1 1 17  10 8  o 26.78550 11.79583 -0.6614688E-01 12.48022  7.881052       
18.03886  -7.362707      17.28467  34.71420 14.72210 27.99949 12.93773 
6.714705       19.59911 
1 1 1 17  11 0  o 39.84279 14.73809 14.03751       15.82195  0.000000       
0.000000  14.03751       15.82195  ?        ?        39.84279 14.73809 
0.000000       14.73809 
1 1 1 17  11 1  o 44.90857 13.89893 21.70738       13.99153  8.738157       
25.56791  27.25135       16.71664  43.02841 17.83580 49.87143 15.14844 
-6.843014      23.40066 
1 1 1 17  11 2  o 106.4080 7.557387 117.6259       16.24664  99.76305       
29.12375  125.6962       19.57562  94.68781 15.67351 109.5884 8.859939 
-14.90054      18.00437 
1 1 1 17  11 3  o 138.3059 6.883587 197.5559       19.36007  230.0060       
28.86999  171.0383       26.09793  147.8441 9.655680 127.1628 10.17769 
20.68132       14.02917 
1 1 1 17  11 4  o 85.84701 10.83894 79.42781       18.50014  59.98707       
25.12001  102.4701       27.34806  71.39139 17.45009 95.70996 14.50599 
-24.31857      22.69205 
1 1 1 17  11 5  f 102.5780 8.122014 110.9990       16.80366  92.88395       
23.53444  129.8385       24.00033  91.21858 13.06002 109.4522 10.92917 
-18.23358      17.02971 
1 1 1 17  11 6  o 44.68143 15.96827 22.25141       18.35648  20.83546       
21.14118  26.58926       37.00359  44.58215 16.92086 51.62293 21.43242 
-7.040775      27.30685 
1 1 1 17  11 7  o 46.97403 14.57356 26.92129       15.37217  44.51468       
26.26927  17.75945       18.95678  57.11038 19.17019 41.08414 15.91322 
16.02623       24.91439 
1 1 1 17  11 8  o 63.42388 10.88836 46.55656       13.53739  61.62363       
20.30495  34.50047       18.16313  69.86086 14.75540 51.12701 15.83800 
18.73385       21.64634 
1 1 1 17  12 0  o 120.4771 6.426284 149.6154       15.68717  169.9642       
30.61762  142.3723       18.26697  126.3555 12.06239 117.1653 7.709904 
9.190269       14.31586 
1 1 1 17  12 1  o 246.0555 4.775043 619.5338       23.89250  569.1597       
44.85206  639.4915       28.23149  233.6845 9.438457 249.7043 5.559764 
-16.01976      10.95424 
1 1 1 17  12 2  f 103.5473 7.756088 111.6039       16.21312  119.2552       
29.94160  108.4297       19.28511  104.1954 14.52617 101.4897 9.453081 
2.705666       17.33120 
1 1 1 17  12 3  o 125.2709 7.293841 163.0073       18.50011  150.0677       
27.63978  173.5091       24.90034  118.2615 11.64420 128.2748 9.615775 
-10.01328      15.10134 
1 1 1 17  12 4  o 125.0582 10.70494 167.5033       26.96137  167.5033       
26.96137  0.000000       0.000000  125.0582 10.70494 ?        ?        
0.000000       10.70494 
1 1 1 17  12 5  o 28.35906 12.60549 -3.051930      14.57954  -6.386885      
20.65596  0.2589912      20.58140  32.44553 14.66478 34.88032 15.25919 
-2.434792      21.16362 
1 1 1 17  12 6  o 56.28391 15.34754 38.42772       18.05009  17.47051       
20.04283  128.3772       41.52328  42.11165 16.34831 97.71932 21.48126 
-55.60767      26.99466 
1 1 1 17  12 7  o 31.07639 12.84025 6.095111       13.19017  29.41609       
19.52505  -13.48247      17.88951  48.27403 16.52558 26.88441 12.66283 
21.38962       20.81927 
1 1 1 17  12 8  o 55.57125 13.63491 38.60444       15.29253  35.09115       
31.51265  39.68668       17.49002  49.55629 20.08578 55.16817 15.13426 
-5.611889      25.14925 
1 1 1 17  13 0  o 125.8176 6.487472 163.2274       16.54198  171.7050       
30.98315  159.8473       19.56367  126.8986 12.15525 124.1239 7.790243 
2.774673       14.43738 
1 1 1 17  13 1  o 98.37891 7.379988 100.4911       14.65659  97.10918       
26.37989  102.0013       17.62770  94.14636 14.22235 98.66769 8.880713 
-4.521324      16.76730 
1 1 1 17  13 2  o 146.5148 5.971743 220.7263       17.79238  241.7426       
32.60537  211.8143       21.23226  151.1574 10.67604 142.9465 7.328821 
8.210968       12.94950 
1 1 1 17  13 3  o 31.88825 13.60859 1.551822       15.58507  2.726803       
23.51892  0.6319153      20.81008  38.65486 16.61235 35.82433 15.51114 
2.830528       22.72808 
1 1 1 17  13 4  o 20.82114 10.21226 -27.56089      14.75635  -22.78735      
20.67053  -32.52192      21.07254  27.81531 13.24988 25.95191 12.61309 
1.863394       18.29342 
1 1 1 17  13 5  o 52.15563 13.60954 31.45398       14.58705  40.93616       
19.56359  19.58219       21.89035  58.53505 15.98496 44.67733 17.15557 
13.85772       23.44851 
1 1 1 17  13 6  o 56.56715 13.19333 37.58213       14.89785  40.53403       
20.92510  34.54777       21.21538  56.79208 16.88092 52.63396 17.21215 
4.158115       24.10858 
1 1 1 17  13 7  o 51.18755 12.89206 31.55584       13.41216  5.868668       
19.75541  53.51870       18.26721  35.12191 15.16004 66.25555 13.99669 
-31.13364      20.63333 
1 1 1 17  14 0  o 139.8880 5.926049 200.9347       16.85765  211.3054       
32.52533  197.1257       19.71187  141.1770 11.42740 138.1059 7.042214 
3.071182       13.42305 
1 1 1 17  14 1  o 123.1624 6.563598 156.6455       16.37955  145.8597       
28.57980  161.9211       19.98788  116.6399 12.23129 124.7929 7.917359 
-8.153015      14.57014 
1 1 1 17  14 2  o 88.54435 8.361527 82.21821       14.87736  44.78061       
26.51147  99.42673       17.97429  62.10233 19.11771 97.14241 9.208964 
-35.04008      21.22008 
1 1 1 17  14 3  o 73.12425 11.32001 58.11723       16.28901  47.61180       
24.59251  66.32860       21.74220  63.53138 18.13817 76.79378 14.45317 
-13.26240      23.19240 
1 1 1 17  14 4  o 108.1506 7.980172 122.9562       17.42664  110.5597       
25.67669  133.5429       23.72844  99.92241 12.94039 111.3776 10.60463 
-11.45518      16.73056 
1 1 1 17  14 5  f 28.17871 12.70154 -4.965229      15.37326  -4.456031      
19.40227  -5.824137      25.19897  31.92261 14.34007 35.72677 16.16808 
-3.804159      21.61121 
1 1 1 17  14 6  o 59.38529 14.07105 42.29498       16.73206  44.68378       
27.60766  40.90812       21.03565  57.73724 19.65113 56.71772 16.94065 
1.019520       25.94518 
1 1 1 17  14 7  o 85.50936 8.446733 79.82832       14.49571  70.04467       
21.16040  88.47932       19.89786  75.51246 14.30380 87.69252 11.42988 
-12.18006      18.30958 
1 1 1 17  15 0  o 59.28619 11.55164 38.26201       13.42609  21.89452       
26.21124  44.08400       15.63263  49.41090 18.82001 63.41880 12.56592 
-14.00790      22.62951 
1 1 1 17  15 1  o 141.8653 5.844133 206.8029       16.85962  208.3434       
31.14493  206.1643       20.05161  140.1448 11.01728 141.3311 6.976859 
-1.186310      13.04059 
1 1 1 17  15 2  o 81.45682 9.343076 70.30656       15.19644  114.5850       
29.63665  54.51212       17.70047  101.5945 14.77844 70.31783 12.85210 
31.27666       19.58517 
1 1 1 17  15 3  o 93.79053 8.742093 92.87862       16.48135  104.2166       
24.58645  83.62610       22.21051  97.50304 12.70170 87.08472 12.93494 
10.41832       18.12860 
1 1 1 17  15 4  o 52.15851 14.48453 31.44478       15.91019  21.33981       
23.99034  39.37871       21.25753  46.74641 17.95736 57.49070 16.99708 
-10.74429      24.72585 
1 1 1 17  15 5  o 107.4704 8.001787 122.5084       17.36219  93.50335       
21.76372  173.2793       28.79410  91.48288 11.98726 125.3616 11.42031 
-33.87875      16.55650 
1 1 1 17  15 6  o 126.1335 7.308317 168.8910       18.66526  201.7691       
32.37224  152.5174       22.84500  133.2307 12.07995 118.0590 9.598809 
15.17167       15.42927 
1 1 1 17  15 7  o 24.94439 11.76442 -12.00431      15.53340  -12.90354      
18.07639  -9.465717      30.37202  26.90019 12.68807 35.62617 16.69095 
-8.725981      20.96604 
1 1 1 17  16 0  o 183.7013 5.215213 345.9229       19.48210  336.8096       
37.61441  349.2640       22.77501  178.8567 10.38656 184.3195 6.076252 
-5.462814      12.03335 
1 1 1 17  16 1  o 151.8925 5.755587 237.0985       17.77777  206.8849       
33.82226  248.6325       20.89738  138.9415 12.09123 155.2778 6.618066 
-16.33627      13.78393 
1 1 1 17  16 2  o 31.34265 13.06290 3.532140       13.82201  8.445000       
27.41868  1.858283       16.00437  43.38826 18.26154 32.41111 13.81005 
10.97716       22.89544 
1 1 1 17  16 3  o 114.0214 7.515828 135.8782       17.32895  121.4971       
26.27113  146.9548       23.05610  105.3027 12.51335 117.5417 9.733475 
-12.23907      15.85322 
1 1 1 17  16 4  o 61.74808 12.50441 43.05558       15.16299  27.19785       
21.78971  57.94458       21.11368  49.22778 17.41833 70.41106 15.19185 
-21.18328      23.11257 
1 1 1 17  16 5  o 59.77105 12.85168 41.33193       15.15646  27.40535       
18.97530  65.87615       25.19075  48.12713 16.29216 72.70921 17.29004 
-24.58208      23.75668 
1 1 1 17  16 6  o 20.24962 9.840624 -19.29241      12.81770  -14.71199      
18.57801  -23.45353      17.70726  27.15914 12.82630 24.13504 11.69071 
3.024097       17.35473 
1 1 1 17  16 7  f 81.63026 14.70684 83.75410       23.51509  61.70056       
32.05144  109.4631       34.60599  62.07052 21.17346 86.59948 20.04698 
-24.52896      29.15813 
1 1 1 17  17 0  o 130.4125 6.155348 174.9721       16.32387  120.2623       
30.64867  196.6381       19.28717  104.3975 14.85584 138.0528 6.870238 
-33.65535      16.36753 
1 1 1 17  17 1  o 108.4630 7.074921 122.1346       15.51921  103.4813       
30.41706  128.6993       18.04460  95.72580 16.20376 111.0209 8.047286 
-15.29505      18.09201 
1 1 1 17  17 2  o 53.37896 12.95452 31.95903       13.91947  -10.30039      
27.23645  46.89834       16.19399  36.69328 16.68555 64.98419 12.70981 
-28.29091      20.97491 
1 1 1 17  17 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 17  17 4  o 61.41989 12.46940 42.78117       15.04235  46.56145       
22.53886  39.74501       20.19913  61.70082 17.27733 57.43074 16.45236 
4.270081       23.85762 
1 1 1 17  17 5  o 44.05039 15.05484 22.43899       16.20408  17.70384       
27.05751  25.08696       20.23380  44.58786 18.40407 46.45534 16.74739 
-1.867474      24.88343 
1 1 1 17  17 6  o 30.10774 13.86888 -7.286404      19.63875  -7.286404      
19.63875  0.000000       0.000000  30.10774 13.86888 ?        ?        
0.000000       13.86888 
1 1 1 17  17 7  f 32.28839 14.74804 -2.440411      21.58030  13.53947       
30.23387  -19.03799      30.81266  41.16248 18.23128 33.24002 15.92686 
7.922455       24.20835 
1 1 1 17  18 0  f 80.98873 9.095350 69.27343       14.72045  77.83054       
26.32503  65.38052       17.75590  82.87607 16.20093 77.76998 11.58068 
5.106087       19.91437 
1 1 1 17  18 1  o 86.43913 9.278955 79.11392       16.05507  34.62689       
29.71684  97.45192       19.07927  56.37610 20.29922 95.76258 9.942403 
-39.38648      22.60331 
1 1 1 17  18 2  o 65.02065 11.15984 46.22937       14.22431  76.42568       
26.50965  34.02058       16.85635  81.13605 16.62593 54.50279 14.81868 
26.63327       22.27139 
1 1 1 17  18 3  o 82.27048 9.580235 72.67136       15.72757  56.01538       
23.21622  86.79840       21.38120  68.52596 16.79175 88.64832 12.18273 
-20.12235      20.74565 
1 1 1 17  18 4  o 45.46276 14.01027 23.84878       14.23390  20.12920       
21.00433  27.00749       19.35608  44.33176 16.85640 48.21932 16.45417 
-3.887562      23.55585 
1 1 1 17  18 5  o 38.98421 14.34015 16.18351       14.94306  39.71969       
24.16078  1.603024       19.01643  55.15634 18.38423 33.37523 14.63243 
21.78111       23.49656 
1 1 1 17  18 6  o 32.92654 12.99642 9.755880       12.84294  -3.351687      
18.56404  21.78808       17.78623  30.46793 13.82406 42.58455 15.64795 
-12.11662      20.87973 
1 1 1 17  18 7  o 59.62443 17.93735 51.96583       23.52129  44.54337       
35.27555  57.90766       31.56169  51.86781 21.16502 58.78603 20.94588 
-6.918221      29.77731 
1 1 1 17  19 0  o 197.2032 5.045624 398.8671       20.23393  389.5091       
38.89663  402.3389       23.69185  192.2310 9.984698 197.7485 5.891616 
-5.517426      11.59333 
1 1 1 17  19 1  o 46.72161 13.45115 24.35862       13.47170  12.18214       
24.06723  29.91461       16.25721  42.96893 17.50208 51.40302 14.76998 
-8.434086      22.90142 
1 1 1 17  19 2  o 144.1741 5.753292 214.3896       16.86767  238.0901       
34.96440  207.2007       19.25670  148.3024 11.68856 141.3802 6.697950 
6.922241       13.47164 
1 1 1 17  19 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 17  19 4  o 24.20941 11.18686 -8.211576      12.92467  -34.40954      
18.96922  14.48893       17.65767  23.29374 11.45581 39.46318 15.33790 
-16.16944      19.14384 
1 1 1 17  19 5  o 46.28326 14.80611 26.11124       15.75224  27.92336       
26.28494  25.09569       19.67718  48.12675 18.71108 45.67830 16.50801 
2.448456       24.95234 
1 1 1 17  19 6  o 38.73969 14.04142 17.48197       14.25133  37.93146       
19.75223  -4.722210      20.58222  53.02036 16.53145 31.19547 14.30617 
21.82489       21.86219 
1 1 1 17  20 0  o 36.34580 15.00469 6.433313       17.98968  -7.229526      
27.41816  16.76129       23.83830  37.85503 17.02221 45.16965 17.74529 
-7.314621      24.58965 
1 1 1 17  20 1  o 62.81699 11.52766 43.39610       14.18283  39.45177       
28.06658  44.74871       16.43571  58.20662 19.81378 63.13506 13.22524 
-4.928436      23.82211 
1 1 1 17  20 2  f 80.50125 9.230905 69.28839       14.83806  71.52362       
29.32230  68.51900       17.20327  76.36134 18.96826 79.27453 10.96509 
-2.913185      21.90955 
1 1 1 17  20 3  o 57.56815 12.85466 37.98190       14.66806  35.19941       
22.91219  39.91420       19.09357  53.97936 17.89865 57.71088 15.80500 
-3.731518      23.87802 
1 1 1 17  20 4  o 43.65730 13.99875 22.19494       14.07490  6.275320       
21.68120  33.79070       18.50404  37.26314 15.98037 52.42316 15.94091 
-15.16002      22.57177 
1 1 1 17  20 5  o 31.47114 12.83587 7.128280       12.96659  -2.833048      
18.42451  16.90368       18.25176  30.76946 13.88386 40.01972 15.58275 
-9.250254      20.87064 
1 1 1 17  20 6  o 96.74362 10.15777 106.4657       19.68523  50.12635       
33.48839  136.2110       24.33310  55.28598 21.22145 108.3036 11.21081 
-53.01761      24.00068 
1 1 1 17  21 0  o 203.0142 6.334501 425.5571       26.15112  443.6665       
42.75980  414.7363       33.05326  204.4982 10.31566 199.4207 8.150660 
5.077545       13.14710 
1 1 1 17  21 1  o 55.25604 12.61630 34.34798       13.86466  25.91599       
28.50307  36.96147       15.86852  50.91883 19.57041 56.92199 13.84248 
-6.003155      23.97113 
1 1 1 17  21 2  o 99.40535 7.377318 103.7517       14.80645  90.58940       
27.39491  109.1834       17.59832  88.04627 15.88502 101.4158 8.614779 
-13.36955      18.07065 
1 1 1 17  21 3  o 106.1570 7.392251 118.8795       15.85835  113.9529       
23.92063  122.7428       21.18238  101.1426 11.85507 106.3827 9.905416 
-5.240143      15.44862 
1 1 1 17  21 4  o 41.68636 14.43646 19.92793       14.91883  -12.85055      
24.94609  38.17885       18.61447  32.68180 15.25112 55.27156 15.78051 
-22.58976      21.94587 
1 1 1 17  21 5  o 32.43372 13.05338 8.710788       13.20813  25.41540       
19.77736  -4.737963      17.74561  45.04208 16.50821 29.33575 13.38941 
15.70632       21.25552 
1 1 1 17  21 6  o 29.66853 13.12912 1.509584       15.64640  11.26479       
29.05076  -2.476433      18.56987  39.60247 17.68529 30.12427 13.72893 
9.478199       22.38868 
1 1 1 17  22 0  o 42.19829 13.93960 19.15109       13.90197  58.82669       
28.52473  6.791403       15.92075  69.53646 19.42437 34.79303 14.21060 
34.74343       24.06756 
1 1 1 17  22 1  o 121.3224 6.393908 152.9345       15.71892  183.6839       
33.34967  144.1522       17.82284  128.9716 12.88845 117.3014 7.511208 
11.67020       14.91745 
1 1 1 17  22 2  o 87.90409 8.502295 82.34679       15.00852  85.56178       
30.38075  81.30886       17.26201  83.15318 18.44910 86.60802 9.984093 
-3.454842      20.97740 
1 1 1 17  22 3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 17  22 4  o 60.06486 13.11977 43.03585       15.57646  62.27522       
29.33318  35.48018       18.38233  66.26221 20.05305 52.85187 15.84765 
13.41034       25.55920 
1 1 1 17  22 5  o 27.99443 11.97809 2.994899       12.13119  9.493520       
18.41349  -1.989041      16.12546  35.44762 14.94473 28.89571 13.01815 
6.551907       19.81962 
1 1 1 17  22 6  o 90.98526 9.083975 93.39320       16.58265  3.664025       
33.18041  123.2666       19.14509  38.26639 17.76725 104.6028 9.090821 
-66.33639      19.95791 
1 1 1 17  23 0  o 172.6154 6.349776 308.4227       22.28894  368.7593       
37.59269  275.7136       27.67879  186.1162 9.968925 161.9146 8.435583 
24.20161       13.05904 
1 1 1 17  23 1  o 122.7091 7.785188 158.4162       19.32601  197.3544       
31.30912  134.4478       24.56419  134.3990 11.56848 111.1527 11.01245 
23.24626       15.97197 
1 1 1 17  23 2  o 74.44013 9.556233 60.22109       14.13187  41.16623       
27.68142  66.93794       16.43495  57.05770 19.67011 77.96132 10.64482 
-20.90362      22.36572 
1 1 1 17  23 3  o 179.4687 11.40673 359.4741       41.41336  359.4741       
41.41336  0.000000       0.000000  179.4687 11.40673 ?        ?        
0.000000       11.40673 
1 1 1 17  23 4  o 54.57393 12.57053 35.66048       13.66294  15.48923       
19.68042  54.42759       18.98308  39.54213 15.92692 66.26706 14.49072 
-26.72493      21.53248 
1 1 1 17  23 5  o 24.22390 11.10868 -4.922795      12.40868  1.567554       
19.96835  -9.005798      15.83792  32.59791 14.60220 25.89569 12.10693 
6.702217       18.96845 
1 1 1 17  24 0  o 33.50062 13.06283 8.775579       12.83998  -4.001944      
27.57272  12.31371       14.50919  38.24683 17.14387 37.02511 14.02613 
1.221725       22.15050 
1 1 1 17  24 1  o 100.4413 9.289609 108.3034       18.75920  124.4028       
32.06416  99.92503       23.13107  102.9285 15.82590 94.61098 12.31458 
8.317543       20.05263 
1 1 1 17  24 2  o 112.4595 6.868587 133.0440       15.63248  120.4534       
33.04628  136.6737       17.74329  99.10754 17.00957 113.4853 7.734636 
-14.37779      18.68556 
1 1 1 17  24 3  o 109.9397 7.793902 129.4494       17.31159  107.4927       
32.30270  138.2965       20.50480  90.79915 18.12947 112.6979 9.022888 
-21.89870      20.25068 
1 1 1 17  24 4  o 70.89017 9.941091 56.85871       13.93681  53.54399       
22.07372  59.05598       17.97191  62.90739 16.89674 69.77736 13.14797 
-6.869965      21.40956 
1 1 1 17  24 5  o 60.81046 12.27917 45.36678       14.66140  21.88576       
31.60981  51.80296       16.54922  43.15562 18.89419 64.34947 13.09233 
-21.19386      22.98694 
1 1 1 17  25 0  o 61.17950 11.22781 41.63956       13.45382  34.94805       
29.30363  43.42678       15.14429  54.54588 20.07886 61.94080 12.45498 
-7.394917      23.62810 
1 1 1 17  25 1  f 88.82784 8.331426 84.28819       14.87359  119.6929       
29.07474  71.73869       17.31006  101.4997 14.49838 80.56951 10.84026 
20.93016       18.10288 
1 1 1 17  25 2  o 36.39078 13.57433 13.33999       13.47748  8.270664       
28.26843  14.83127       15.33223  41.13409 17.94202 38.23000 14.43383 
2.904091       23.02719 
1 1 1 17  25 3  o 78.37676 8.886518 67.52932       13.91316  109.2708       
31.12887  57.10910       15.55313  91.47411 17.36977 70.48849 11.22705 
20.98562       20.68225 
1 1 1 17  25 4  o 52.80647 12.35005 34.07917       13.02535  4.047323       
20.98144  52.91116       16.61469  34.15257 15.15405 65.72781 12.89120 
-31.57523      19.89543 
1 1 1 17  25 5  o 42.66983 14.20984 24.17570       14.43554  14.96173       
30.34790  26.87009       16.41103  39.99847 17.95349 44.26387 15.15056 
-4.265396      23.49185 
1 1 1 17  26 0  o 150.1834 5.449183 233.3427       16.64198  279.4797       
34.63719  219.4955       18.97574  160.1997 10.69380 145.1716 6.427845 
15.02802       12.47696 
1 1 1 17  26 1  o 134.5371 5.946342 188.4794       16.26835  264.3062       
36.11560  169.1770       18.22170  153.9691 11.62041 126.6492 7.103813 
27.31985       13.61976 
1 1 1 17  26 2  o 97.66158 11.61333 108.6065       22.61168  136.3519       
31.53650  79.25214       32.43805  105.9365 15.06346 74.54005 20.67571 
31.39648       25.58110 
1 1 1 17  26 3  o 28.81259 12.19446 4.026409       12.33625  -59.13390      
26.71083  21.15125       13.90844  24.79163 12.42010 41.57292 13.94898 
-16.78130      18.67707 
1 1 1 17  26 4  o 28.21826 12.08506 3.731830       12.36947  -0.1968519     
20.48287  5.987001       15.51877  31.93188 14.50084 31.53306 13.52138 
0.3988113      19.82680 
1 1 1 17  27 0  o 54.54919 12.90973 34.67149       14.09764  45.07721       
28.40924  31.27197       16.23799  58.62782 19.93447 51.06776 14.78673 
7.560059       24.81996 
1 1 1 17  27 1  o 51.29354 13.04814 31.27124       13.64245  70.97442       
29.61850  20.57960       15.36996  72.09760 19.65997 42.20323 14.65097 
29.89437       24.51867 
1 1 1 17  27 2  o 54.53400 17.15617 39.94243       21.22002  63.38750       
29.13409  13.45083       30.96918  65.86996 19.99620 42.57376 18.66900 
23.29620       27.35653 
1 1 1 17  27 3  o 39.85434 12.98075 19.50230       12.07096  25.46388       
28.20703  18.16577       13.35569  44.77597 18.66120 38.74913 13.64477 
6.026836       23.11752 
1 1 1 17  27 4  o 49.79888 14.01733 33.02666       14.79558  -44.32509      
32.10375  53.88675       16.67166  28.88198 14.33092 65.23392 13.02373 
-36.35194      19.36473 
1 1 1 17  28 0  o 110.8210 7.282843 130.1888       16.32110  132.9924       
33.02296  129.2827       18.77438  104.4103 16.06849 109.6413 8.486641 
-5.231056      18.17194 
1 1 1 17  28 1  o 36.94031 14.04097 14.06417       14.57061  -10.12737      
29.50766  21.86481       16.75591  35.62321 16.61142 42.89525 15.26405 
-7.272038      22.55949 
1 1 1 17  28 2  o 36.38442 14.29620 13.64424       15.47443  20.68370       
28.69177  10.75666       18.37617  43.60715 18.53348 36.01883 15.04113 
7.588326       23.86892 
1 1 1 17  28 3  o 64.01692 12.02266 49.94040       15.07643  89.20547       
27.64763  33.32331       17.98589  79.00859 17.65287 48.91654 15.83927 
30.09205       23.71721 
1 1 1 17  28 4  o 35.87119 16.86990 1.062322       31.53327  1.062322       
31.53327  0.000000       0.000000  35.87119 16.86990 ?        ?        
0.000000       16.86990 
1 1 1 17  29 0  o 31.80035 12.75988 7.865022       12.57941  31.35355       
28.58319  2.222787       14.00904  49.85550 19.47609 29.60578 12.77265 
20.24972       23.29074 
1 1 1 17  29 1  o 62.48428 16.97221 52.66739       22.12433  33.74834       
29.62622  76.52100       33.26624  49.58961 19.68655 70.14934 21.38331 
-20.55972      29.06555 
1 1 1 17  29 2  o 81.80969 9.005999 75.05652       14.73448  120.3431       
29.03258  59.34517       17.10046  96.14751 15.36639 69.77938 12.51077 
26.36813       19.81528 
1 1 1 17  29 3  o 20.36275 9.836489 -14.78703      12.32222  0.000000       
0.000000  -14.78703      12.32222  ?        ?        20.36275 9.836489 
0.000000       9.836489 
1 1 1 17  30 0  o 27.61390 12.37661 -2.090388      14.36684  28.82582       
28.30818  -12.81621      16.67378  47.68672 19.13885 25.80698 12.17654 
21.87975       22.68400 
1 1 1 17  30 1  o 24.50289 11.30482 -6.026457      13.12265  7.096628       
28.53338  -9.546742      14.77829  38.48602 17.32988 24.80040 11.62661 
13.68561       20.86871 
1 1 1 17  30 2  o 25.97243 11.36706 1.360653       11.43187  -13.30923      
27.91901  4.315677       12.53047  32.04062 15.30014 28.47079 12.17754 
3.569830       19.55472 
1 1 1 17  30 3  o 43.50052 15.38369 27.39745       16.99433  0.000000       
0.000000  27.39745       16.99433  ?        ?        43.50052 15.38369 
0.000000       15.38369 
1 1 1 17  31 0  o 46.40496 13.96167 27.36134       14.24967  31.32939       
28.55863  26.04597       16.44274  47.64442 19.18751 44.88498 15.16615 
2.759438       24.45757 
1 1 1 17  31 1  o 76.48286 9.127724 66.26038       13.91595  104.0731       
28.04689  53.91151       16.02800  87.25762 16.40859 66.22070 12.35690 
21.03692       20.54106 
1 1 1 17  31 2  o 32.64887 12.49882 12.04496       11.59744  -67.86175      
30.30501  25.75539       12.55302  24.93847 12.58884 44.18377 13.06107 
-19.24530      18.14030 
1 1 1 17  32 0  o 39.87954 12.77539 19.84793       11.72445  46.90246       
29.84455  14.91057       12.74948  53.17854 20.12332 35.79133 13.23182 
17.38721       24.08379 
1 1 1 17  32 1  o 79.82495 7.854333 70.90127       12.58460  24.75916       
30.53070  80.34566       13.81259  42.44178 18.57560 84.77157 8.111635 
-42.32979      20.26947 
1 1 1 17  32 2  o 68.27271 9.727586 55.22351       13.12336  0.000000       
0.000000  55.22351       13.12336  ?        ?        68.27271 9.727586 
0.000000       9.727586 
1 1 1 17  33 0  o 107.7068 6.296881 124.7765       13.73172  76.87265       
33.66108  134.3400       15.04008  63.94179 21.69917 111.4022 6.669705 
-47.46043      22.70107 
1 1 1 17  33 1  o 28.03152 11.66513 6.290627       10.99839  -9.246526      
29.23760  8.851624       11.87027  32.26253 15.47328 30.18292 12.29253 
2.079613       19.76180 
1 1 1 17  34 0  o 20.18641 9.588741 -9.132675      10.67368  -29.68438      
26.42326  -5.125211      11.66802  27.33800 13.45936 22.74235 10.55115 
4.595642       17.10208 
1 1 1 17  34 1  f 31.57764 12.68893 11.31056       12.45962  0.000000       
0.000000  11.31056       12.45962  ?        ?        31.57764 12.68893 
0.000000       12.68893 
1 1 1 17  35 0  o 36.84358 12.61385 18.22542       11.37560  37.00946       
31.19641  15.34475       12.21677  43.62455 18.93993 34.41279 12.90665 
9.211758       22.91947 
1 1 1 17  36 0  o 38.85950 12.93816 21.48923       11.96763  0.000000       
0.000000  21.48923       11.96763  ?        ?        38.85950 12.93816 
0.000000       12.93816 
1 1 1 18  0  0  o 175.8299 7.049113 318.0485       25.11250  318.0485       
25.11250  318.0485       25.11250  175.8299 7.049113 175.8299 7.049113 
0.000000       0.000000 
1 1 1 18  0  1  o 217.6240 9.472713 490.9844       41.74038  490.9844       
41.74038  490.9844       41.74038  217.6240 9.472713 217.6240 9.472713 
0.000000       0.000000 
1 1 1 18  0  2  o 138.7984 18.94244 217.9821       50.64513  217.9821       
50.64513  217.9821       50.64513  138.7984 18.94244 138.7984 18.94244 
0.000000       0.000000 
1 1 1 18  0  3  o 85.98096 14.92501 84.67997       23.73900  84.67997       
23.73900  84.67997       23.73900  85.98096 14.92501 85.98096 14.92501 
0.000000       0.000000 
1 1 1 18  0  4  o 99.36916 11.57863 107.9046       22.56746  107.9046       
22.56746  107.9046       22.56746  99.36916 11.57863 99.36916 11.57863 
0.000000       0.000000 
1 1 1 18  0  5  f 44.35978 20.17340 32.55590       19.70689  32.55590       
19.70689  32.55590       19.70689  44.35978 20.17340 44.35978 20.17340 
0.000000       0.000000 
1 1 1 18  0  6  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 18  0  7  o 30.73966 17.89824 16.82157       18.47198  16.82157       
18.47198  16.82157       18.47198  30.73966 17.89824 30.73966 17.89824 
0.000000       0.000000 
1 1 1 18  1  0  o 29.05724 12.25497 1.653376       12.38904  -1.740287      
17.60567  4.982340       17.43704  32.44221 14.15488 35.51432 14.72586 
-3.072113      20.42575 
1 1 1 18  1  1  o 51.79353 15.52038 29.80274       17.63511  0.000000       
0.000000  29.80274       17.63511  ?        ?        51.79353 15.52038 
0.000000       15.52038 
1 1 1 18  1  2  o 131.4357 9.074123 181.3244       24.10469  188.9031       
27.28636  154.3932       51.43705  133.6677 10.11332 112.0163 23.33838 
21.65140       25.43539 
1 1 1 18  1  3  o 97.74351 12.66364 104.6951       24.57917  104.6951       
24.57917  0.000000       0.000000  97.74351 12.66364 ?        ?        
0.000000       12.66364 
1 1 1 18  1  4  o 60.23199 12.24213 40.74768       14.48351  40.43218       
20.97788  41.03506       20.02115  58.20808 16.79320 58.81328 16.21639 
-0.6051941     23.34487 
1 1 1 18  1  5  o 108.8999 10.31617 129.4243       22.57292  0.000000       
0.000000  129.4243       22.57292  ?        ?        108.8999 10.31617 
0.000000       10.31617 
1 1 1 18  1  6  o 33.31237 13.09558 9.629056       12.99045  10.77821       
18.53864  8.520485       18.20834  37.09863 15.26423 35.77700 14.95895 
1.321632       21.37211 
1 1 1 18  1  7  o 95.82669 7.459506 98.99099       14.42156  78.39567       
20.39408  119.5907       20.39627  80.95648 12.81467 103.2962 9.828377 
-22.33976      16.14970 
1 1 1 18  2  0  o 96.05827 8.173484 96.20670       15.81414  80.32466       
27.62224  103.9507       19.28801  84.47832 16.67109 99.39973 9.664450 
-14.92140      19.26984 
1 1 1 18  2  1  o 186.3418 6.276685 357.2469       23.78440  0.000000       
0.000000  357.2469       23.78440  ?        ?        186.3418 6.276685 
0.000000       6.276685 
1 1 1 18  2  2  f 161.6423 16.67973 292.9267       54.03914  0.000000       
0.000000  292.9267       54.03914  ?        ?        161.6423 16.67973 
0.000000       16.67973 
1 1 1 18  2  3  f 112.9449 11.32472 137.5025       25.65995  0.000000       
0.000000  137.5025       25.65995  ?        ?        112.9449 11.32472 
0.000000       11.32472 
1 1 1 18  2  4  o 80.58561 9.523254 69.77423       15.30442  69.31423       
22.03693  70.20280       21.27083  77.75464 14.46963 78.64900 13.80311 
-0.8943634     19.99740 
1 1 1 18  2  5  o 34.68600 13.51621 10.21698       13.73981  32.90786       
19.88806  -10.50173      19.00413  52.03828 16.63555 29.30783 13.55061 
22.73045       21.45601 
1 1 1 18  2  6  o 140.3449 8.191370 211.6322       23.27630  0.000000       
0.000000  211.6322       23.27630  ?        ?        140.3449 8.191370 
0.000000       8.191370 
1 1 1 18  2  7  o 71.67789 13.34964 62.51720       18.74237  0.000000       
0.000000  62.51720       18.74237  ?        ?        71.67789 13.34964 
0.000000       13.34964 
1 1 1 18  3  0  o 60.17883 12.94572 39.87008       15.37235  13.94493       
27.57010  51.56602       18.51805  46.40731 18.79508 68.34231 13.79995 
-21.93500      23.31724 
1 1 1 18  3  1  o 129.4498 8.046784 174.3568       21.07755  0.000000       
0.000000  174.3568       21.07755  ?        ?        129.4498 8.046784 
0.000000       8.046784 
1 1 1 18  3  2  o 60.76931 13.83791 41.41512       16.71745  72.22745       
25.03826  16.63049       22.45604  79.71681 16.00164 44.55901 17.30283 
35.15780       23.56779 
1 1 1 18  3  3  o 102.8444 8.505525 111.3753       17.62860  125.3426       
25.82130  99.18159       24.12615  107.3768 12.03230 94.97568 12.81931 
12.40112       17.58155 
1 1 1 18  3  4  o 106.1000 7.566272 118.2425       16.21784  126.7914       
22.74185  109.3962       23.13417  108.3597 10.45021 99.91885 11.60151 
8.440826       15.61416 
1 1 1 18  3  5  o 135.5931 8.702398 196.5383       23.86868  0.000000       
0.000000  196.5383       23.86868  ?        ?        135.5931 8.702398 
0.000000       8.702398 
1 1 1 18  3  6  o 38.59237 13.42551 16.77930       12.90954  -19.28809      
18.17177  53.53011       18.34312  25.59201 12.25408 66.61926 13.98558 
-41.02724      18.59459 
1 1 1 18  3  7  f 90.83693 8.528995 90.60990       15.57027  113.6826       
26.70599  78.72825       19.16450  96.21210 14.06526 81.93672 11.84570 
14.27538       18.38892 
1 1 1 18  4  0  o 135.8515 8.142107 191.7953       22.38955  0.000000       
0.000000  191.7953       22.38955  ?        ?        135.8515 8.142107 
0.000000       8.142107 
1 1 1 18  4  1  o 82.97827 9.435656 72.75914       15.63852  77.91147       
28.19663  70.47013       18.79400  82.55217 17.34761 80.81516 11.78261 
1.737015       20.97068 
1 1 1 18  4  2  o 201.2627 7.712770 420.3659       31.56640  0.000000       
0.000000  420.3659       31.56640  ?        ?        201.2627 7.712770 
0.000000       7.712770 
1 1 1 18  4  3  o 112.8162 20.80382 154.8689       45.96879  0.000000       
0.000000  154.8689       45.96879  ?        ?        112.8162 20.80382 
0.000000       20.80382 
1 1 1 18  4  4  o 27.78880 12.31842 -2.675496      13.83147  4.914543       
19.99295  -9.642809      19.15524  36.44901 15.48060 30.07740 13.79634 
6.371611       20.73615 
1 1 1 18  4  5  o 46.56933 13.67661 25.39243       13.80391  45.86343       
19.61680  5.313711       19.42794  61.40005 15.66140 35.65733 15.20496 
25.74273       21.82820 
1 1 1 18  4  6  o 83.89831 8.490426 76.42006       14.28610  67.17123       
20.42062  85.28590       19.99334  74.81689 13.93476 86.36373 11.68417 
-11.54684      18.18509 
1 1 1 18  4  7  o 148.2649 10.70415 250.2726       32.05624  250.2726       
32.05624  0.000000       0.000000  148.2649 10.70415 ?        ?        
0.000000       10.70415 
1 1 1 18  5  0  o 120.9130 8.383077 152.3019       20.48509  121.0601       
28.88630  183.9098       29.05503  105.5568 13.78650 131.8594 10.93440 
-26.30262      17.59628 
1 1 1 18  5  1  o 66.42853 12.47434 48.35511       16.23211  55.36377       
28.11289  44.85006       19.88088  68.73711 19.31285 62.90519 15.61456 
5.831921       24.83548 
1 1 1 18  5  2  o 93.88632 9.593323 93.38896       18.05838  117.0920       
26.42002  72.60540       24.73953  103.7171 12.79798 79.96161 15.77486 
23.75547       20.31341 
1 1 1 18  5  3  o 53.00123 17.07207 32.19041       20.91536  48.32877       
23.72971  -23.99701      44.27740  63.76041 17.68333 43.35056 20.25952 
20.40985       26.89142 
1 1 1 18  5  4  o 47.29510 14.16780 25.65694       14.69705  27.28998       
21.12740  24.12570       20.45828  49.14293 17.17059 47.00958 16.85158 
2.133347       24.05836 
1 1 1 18  5  5  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 18  5  6  o 66.65148 10.65635 50.29809       13.95686  41.13680       
20.32800  58.46791       19.19652  56.28555 16.61580 69.50764 14.06410 
-13.22210      21.76888 
1 1 1 18  5  7  o 25.67346 11.83470 -6.313497      14.33582  -16.89456      
24.29618  -0.6621486     17.75617  30.22022 14.38706 30.61868 13.73879 
-0.3984642     19.89326 
1 1 1 18  6  0  o 160.8840 5.201455 265.2306       17.01724  229.2988       
23.45459  305.1695       24.72788  148.6854 7.784326 172.0092 7.069421 
-23.32381      10.51534 
1 1 1 18  6  1  o 109.8996 8.036631 125.9324       17.83607  88.07655       
29.79189  147.0814       22.26776  87.82764 17.29623 118.3202 9.330497 
-30.49257      19.65243 
1 1 1 18  6  2  o 108.0429 8.132466 122.1436       17.73671  122.3416       
26.62819  121.9857       23.77979  106.1012 12.58704 106.6866 11.12453 
-0.5854111     16.79848 
1 1 1 18  6  3  o 69.07664 15.04146 54.83566       20.52987  50.36990       
23.58774  68.78767       41.69242  65.08082 17.46073 72.61601 24.14752 
-7.535194      29.79899 
1 1 1 18  6  4  o 37.32351 13.72274 13.53384       13.68173  20.27981       
18.84923  6.021944       19.89051  44.05173 16.12060 36.79660 15.52403 
7.255127       22.38011 
1 1 1 18  6  5  o 108.9972 10.98589 131.5059       24.01812  0.000000       
0.000000  131.5059       24.01812  ?        ?        108.9972 10.98589 
0.000000       10.98589 
1 1 1 18  6  6  o 41.28331 13.58004 20.15941       13.19916  8.571771       
18.29587  32.73579       19.06046  35.62987 14.95256 50.51403 16.30025 
-14.88416      22.11961 
1 1 1 18  7  0  o 266.5470 5.271549 728.2712       28.57350  672.8256       
49.00832  756.8249       35.16964  253.9098 9.491590 271.2148 6.376803 
-17.30507      11.43477 
1 1 1 18  7  1  f 20.17423 9.998995 -34.96728      15.46187  -31.94144      
26.08898  -36.60551      19.19648  30.62084 14.66750 23.61637 11.59626 
7.004478       18.69783 
1 1 1 18  7  2  f 30.00996 13.21744 -2.515073      15.67443  -3.277068      
23.73697  -1.925901      20.87229  36.50183 16.16120 34.80549 15.29291 
1.696339       22.24989 
1 1 1 18  7  3  o 69.97316 12.52269 54.46854       17.16464  47.46466       
24.27136  61.47603       24.27759  62.90517 18.03880 72.19424 16.84477 
-9.289063      24.68085 
1 1 1 18  7  4  o 87.48395 8.904256 81.84899       15.62000  75.54675       
20.84266  89.92351       23.59196  81.85668 12.95230 89.12028 13.43507 
-7.263596      18.66181 
1 1 1 18  7  5  o 55.80339 12.61456 36.23366       13.97844  43.17693       
20.07212  29.69516       19.47826  58.91768 16.23367 49.40210 16.50773 
9.515575       23.15247 
1 1 1 18  7  6  o 94.22253 8.303599 96.29196       15.74745  92.97582       
25.24156  98.40511       20.14955  87.10709 14.77807 93.29450 10.82181 
-6.187416      18.31674 
1 1 1 18  8  0  o 96.15324 9.767309 97.58498       18.83298  0.000000       
0.000000  97.58498       18.83298  ?        ?        96.15324 9.767309 
0.000000       9.767309 
1 1 1 18  8  1  o 181.0833 5.988983 337.3510       22.05377  367.9398       
39.81393  323.8110       26.48881  186.5815 10.53646 176.8839 7.364153 
9.697617       12.85488 
1 1 1 18  8  2  o 63.44551 14.02408 45.42804       17.61239  29.75897       
24.56828  61.99388       25.26155  52.37875 18.49963 72.79886 17.31629 
-20.42011      25.33950 
1 1 1 18  8  3  o 26.88766 12.30387 -8.189775      15.11068  -15.78796      
22.07125  -1.486276      20.73111  30.83944 14.37597 34.51985 15.20238 
-3.680408      20.92321 
1 1 1 18  8  4  o 31.22438 13.63451 -0.4404100E-01 16.36438  -9.952788      
18.33471  38.76756       36.28652  29.09479 13.40162 56.98196 22.03174 
-27.88717      25.78761 
1 1 1 18  8  5  o 93.65125 8.325418 94.17854       15.68983  80.88498       
21.67036  108.8249       22.74626  83.53224 13.19558 98.38978 11.59103 
-14.85754      17.56347 
1 1 1 18  8  6  o 63.71552 12.21795 47.81102       15.25451  20.69275       
26.51798  61.22310       18.64909  44.10376 18.21320 71.41454 13.33194 
-27.31078      22.57125 
1 1 1 18  9  0  o 119.1597 7.219529 147.1820       17.41148  126.3147       
31.97596  155.9767       20.75886  106.9542 15.12367 122.2742 8.399611 
-15.31999      17.29968 
1 1 1 18  9  1  o 26.98495 12.21522 -6.648457      14.39459  3.942877       
28.47741  -10.28330      16.68276  42.46952 18.26659 27.97756 12.84864 
14.49195       22.33285 
1 1 1 18  9  2  o 36.61803 16.13671 -1.949767      23.39451  0.000000       
0.000000  -1.949767      23.39451  ?        ?        36.61803 16.13671 
0.000000       16.13671 
1 1 1 18  9  3  o 81.02571 14.08204 74.41409       22.36063  0.000000       
0.000000  74.41409       22.36063  ?        ?        81.02571 14.08204 
0.000000       14.08204 
1 1 1 18  9  4  o 52.76996 17.01424 33.53596       20.77003  31.69788       
25.44850  37.20304       35.94506  51.91665 18.77178 56.00902 21.85157 
-4.092373      28.80748 
1 1 1 18  9  5  o 69.38448 10.61648 53.88808       14.50299  54.13081       
20.60004  53.64953       20.42176  66.26461 15.55415 66.01537 15.48066 
0.2492371      21.94498 
1 1 1 18  9  6  o 60.44728 12.73081 43.79414       15.15457  61.25490       
26.12732  34.94145       18.60377  66.17816 18.62696 51.74776 16.02875 
14.43040       24.57406 
1 1 1 18  10 0  o 107.3238 7.432545 119.6829       16.12142  120.5898       
30.97136  119.3459       18.88096  104.4385 15.01477 106.7237 8.777658 
-2.285217      17.39226 
1 1 1 18  10 1  f 99.16652 7.701817 102.6312       15.40952  63.26135       
27.08975  121.4637       18.73604  73.40720 18.23031 107.5872 8.636581 
-34.17999      20.17262 
1 1 1 18  10 2  o 34.75722 14.60363 4.375593       17.48556  33.46452       
26.91786  -16.85944      22.99869  54.72088 19.36004 31.46993 14.67156 
23.25095       24.29127 
1 1 1 18  10 3  o 22.16487 10.70843 -21.12115      14.61564  -36.78203      
21.45729  -7.565835      19.96280  25.32746 12.39999 31.53823 14.31957 
-6.210777      18.94228 
1 1 1 18  10 4  f 47.52488 13.74700 26.32392       14.04107  -0.5444694     
18.73482  60.75626       21.20860  32.78967 14.44556 71.62481 15.03997 
-38.83514      20.85365 
1 1 1 18  10 5  o 41.12854 15.02145 18.79743       16.35501  41.27468       
31.24780  10.31664       19.19402  55.20277 20.65389 37.35047 15.46552 
17.85231       25.80243 
1 1 1 18  10 6  o 55.67752 15.75595 40.50437       18.64178  0.000000       
0.000000  40.50437       18.64178  ?        ?        55.67752 15.75595 
0.000000       15.75595 
1 1 1 18  11 0  o 117.4784 7.134840 143.1313       16.96416  101.1744       
31.58390  160.1434       20.11140  94.30566 17.09902 123.9745 8.020316 
-29.66888      18.88655 
1 1 1 18  11 1  o 32.23906 13.02189 5.931571       13.19592  -17.68957      
23.80094  16.41501       15.85607  32.05798 14.93887 41.07488 14.82267 
-9.016899      21.04474 
1 1 1 18  11 2  f 43.05390 13.98932 20.18459       14.02273  22.58130       
27.18461  19.31566       16.36852  49.01268 19.03611 43.08030 15.11012 
5.932388       24.30409 
1 1 1 18  11 3  o 48.99443 14.43473 27.68124       15.35502  6.076047       
22.31300  47.11708       21.16316  38.47862 16.34865 62.79661 16.39582 
-24.31799      23.15386 
1 1 1 18  11 4  o 54.69961 12.93577 34.74125       14.16295  39.94883       
20.18874  29.69486       19.87386  56.98506 16.48415 49.80766 16.67436 
7.177399       23.44700 
1 1 1 18  11 5  o 36.97736 14.31491 13.30957       15.33367  11.86949       
25.28857  14.14686       19.28279  40.73493 17.35820 39.20674 15.77457 
1.528187       23.45515 
1 1 1 18  11 6  o 69.38103 10.14585 54.69939       13.89161  42.71578       
20.37131  65.11571       18.99250  56.23288 16.64267 73.28679 13.23085 
-17.05391      21.26109 
1 1 1 18  12 0  o 102.3454 7.651933 109.1543       15.81021  100.8593       
27.75787  113.1375       19.23526  95.29152 14.80505 103.6471 9.222550 
-8.355568      17.44262 
1 1 1 18  12 1  o 82.15023 9.302159 71.65347       15.26587  102.4705       
29.74335  60.63202       17.78748  95.00816 15.96089 74.36746 12.18403 
20.64069       20.07985 
1 1 1 18  12 2  o 154.3004 5.783917 245.6280       18.14849  236.8709       
34.91631  248.8696       21.24356  147.8749 11.70705 154.9135 6.743519 
-7.038605      13.51037 
1 1 1 18  12 3  o 37.34380 14.54264 11.80415       15.89809  4.298608       
21.22965  21.38754       23.98896  36.90361 15.81927 46.41480 17.92265 
-9.511196      23.90545 
1 1 1 18  12 4  o 73.60828 10.14275 59.66509       14.77895  68.69352       
20.65288  50.19014       21.15742  76.79947 13.72810 63.77718 16.26315 
13.02229       21.28264 
1 1 1 18  12 5  o 75.14011 14.40067 68.58972       21.20329  86.17061       
27.90317  44.56590       32.61777  81.52072 17.36377 55.82367 21.05834 
25.69705       27.29384 
1 1 1 18  12 6  o 25.48057 11.59588 -4.066269      13.18738  -11.95065      
19.85462  2.157773       17.64063  28.40118 13.36597 31.66106 13.97927 
-3.259878      19.34087 
1 1 1 18  13 0  o 173.3150 5.470222 308.5927       19.27936  262.7720       
34.54541  329.3197       23.23424  157.2355 10.87084 178.7047 6.393536 
-21.46919      12.61160 
1 1 1 18  13 1  o 111.0898 7.026266 128.3881       15.79091  108.9025       
30.93398  135.2551       18.36377  97.71617 16.13034 113.6589 7.996173 
-15.94275      18.00352 
1 1 1 18  13 2  o 175.8678 5.448404 318.7752       19.48530  335.8219       
37.52402  312.4815       22.80030  177.0654 10.46787 173.6507 6.456732 
3.414795       12.29901 
1 1 1 18  13 3  o 48.87654 14.77766 27.87664       15.93526  16.44451       
21.45470  41.94343       23.79888  42.66481 16.81128 58.26881 18.14243 
-15.60400      24.73392 
1 1 1 18  13 4  o 41.71020 14.05596 19.84522       14.12320  34.41203       
19.64539  4.263818       20.31804  52.63338 16.49911 35.53841 15.35704 
17.09498       22.54016 
1 1 1 18  13 5  o 91.91556 11.40127 96.61905       20.85297  120.3387       
27.35170  63.69401       32.22503  100.2819 13.77645 65.01621 21.21088 
35.26569       25.29213 
1 1 1 18  13 6  f 62.45144 11.08018 45.71805       13.55620  44.72932       
19.51944  46.63926       18.84125  57.55793 16.06476 59.41717 15.44934 
-1.859238      22.28808 
1 1 1 18  14 0  o 118.3289 6.734381 145.1486       16.13765  148.0220       
31.84809  144.1561       18.71860  116.1004 13.75717 117.5095 7.878990 
-1.409081      15.85365 
1 1 1 18  14 1  o 126.7901 7.902664 168.2542       20.27422  191.4556       
33.55995  154.9203       25.44157  132.4673 12.61057 120.3359 10.50198 
12.13145       16.41091 
1 1 1 18  14 2  o 161.3258 6.183565 269.5288       20.28589  253.4680       
36.35032  276.7932       24.44684  152.4462 11.81810 162.8566 7.381861 
-10.41042      13.93411 
1 1 1 18  14 3  o 46.30329 14.71278 24.84146       15.57439  15.68226       
21.07676  35.85792       23.11512  41.91423 16.61576 54.14788 17.97885 
-12.23365      24.48107 
1 1 1 18  14 4  o 53.67887 13.27203 34.22691       14.40574  22.04317       
20.77032  45.52058       19.99726  44.41514 16.79230 60.29996 16.03165 
-15.88482      23.21627 
1 1 1 18  14 5  o 43.61956 15.09692 23.39421       16.31393  12.41831       
19.94606  45.57455       28.35443  37.99950 15.75248 55.95432 19.86205 
-17.95481      25.35038 
1 1 1 18  14 6  o 62.33979 12.85839 47.85751       15.75938  53.15392       
31.22207  46.04681       18.25555  56.76447 20.75132 59.05840 15.13218 
-2.293930      25.68268 
1 1 1 18  15 0  o 83.88232 9.108057 74.57201       15.28665  118.3079       
30.84495  60.33228       17.60014  102.6173 15.24457 74.20313 12.07942 
28.41413       19.45018 
1 1 1 18  15 1  o 84.73742 8.903950 76.25902       15.11352  23.71447       
28.64145  96.53586       17.79226  49.92595 19.49806 95.26045 9.303507 
-45.33451      21.60392 
1 1 1 18  15 2  o 58.81737 12.08227 38.93469       13.96774  31.70841       
28.45053  41.22958       16.03296  52.99420 19.73130 59.93888 13.48070 
-6.944679      23.89673 
1 1 1 18  15 3  f 79.62833 9.420728 68.80608       14.95903  70.56506       
21.76468  67.23119       20.59433  77.67320 14.30651 76.10252 13.81639 
1.570686       19.88892 
1 1 1 18  15 4  o 106.6396 8.389158 122.6275       18.04543  134.6493       
31.60344  116.8119       21.98108  105.4424 15.17621 102.2565 10.73074 
3.185959       18.58672 
1 1 1 18  15 5  o 47.28445 13.32142 27.61596       13.35678  26.86647       
20.06721  28.21212       17.89717  45.74065 16.64927 46.73375 15.82254 
-0.9931030     22.96847 
1 1 1 18  16 0  o 102.4642 7.511606 109.7041       15.54244  149.5145       
31.76956  97.17783       17.82067  116.3589 13.68810 95.72713 9.270720 
20.63181       16.53210 
1 1 1 18  16 1  o 108.7422 7.136471 123.5403       15.69339  139.4837       
29.85942  117.4555       18.44661  112.0070 13.37393 105.3420 8.688728 
6.665024       15.94854 
1 1 1 18  16 2  o 139.6596 6.526465 202.9240       18.53533  203.1334       
34.66693  202.8401       21.93370  135.0203 12.77795 138.7593 7.804872 
-3.739014      14.97304 
1 1 1 18  16 3  o 51.63639 13.32600 31.38318       14.08718  53.90213       
20.24504  10.24514       19.61449  66.79585 15.24110 37.99057 15.67422 
28.80528       21.86258 
1 1 1 18  16 4  o 95.08393 9.960563 100.3365       18.97351  89.63205       
27.67607  109.8287       26.06182  83.74647 16.83507 96.12857 13.72157 
-12.38210      21.71868 
1 1 1 18  16 5  o 30.17756 12.61319 5.726995       12.93886  1.726010       
19.79260  8.712831       17.09828  32.84478 14.63766 34.35409 14.43798 
-1.509315      20.56007 
1 1 1 18  17 0  o 41.28084 14.06196 17.97351       14.13676  25.51807       
27.31750  15.21404       16.52100  50.44975 19.21368 40.30154 15.02987 
10.14821       24.39391 
1 1 1 18  17 1  o 67.85061 10.45242 50.25921       13.95884  49.30288       
26.01323  50.64594       16.54218  63.25418 18.82629 67.14507 12.57730 
-3.890892      22.64106 
1 1 1 18  17 2  o 67.61403 10.61809 50.46743       14.11832  36.28963       
28.06923  55.26905       16.33504  54.59843 19.71879 70.16499 11.87195 
-15.56656      23.01682 
1 1 1 18  17 3  o 25.56465 11.64070 -5.540414      13.31334  20.99610       
20.81043  -23.92563      17.32182  43.96313 16.76355 23.85061 11.55532 
20.11252       20.36031 
1 1 1 18  17 4  o 64.52798 16.57462 54.46185       21.86378  0.000000       
0.000000  54.46185       21.86378  ?        ?        64.52798 16.57462 
0.000000       16.57462 
1 1 1 18  17 5  o 32.24764 12.89616 9.427585       12.80260  -0.3989231E-01 
18.18961  18.72217       18.02276  30.94398 13.89367 39.93954 15.50328 
-8.995562      20.81792 
1 1 1 18  18 0  o 92.52409 7.928757 90.11485       14.77391  92.06690       
30.14041  89.49752       16.94981  88.23475 17.41630 91.66451 9.218093 
-3.429756      19.70535 
1 1 1 18  18 1  o 58.27603 12.07242 38.29222       13.83611  70.29675       
25.51423  24.95953       16.46780  76.52122 16.85207 46.75907 15.15769 
29.76215       22.66601 
1 1 1 18  18 2  o 115.7358 6.668058 140.4064       15.62703  155.3799       
30.41607  135.0364       18.21492  117.0975 12.99234 112.7589 7.995582 
4.338593       15.25550 
1 1 1 18  18 3  o 88.87603 9.651131 86.86032       17.16239  100.9724       
31.10615  80.68438       20.57794  88.53137 17.89362 83.60229 12.48680 
4.929077       21.81975 
1 1 1 18  18 4  o 144.9272 10.36250 236.3634       30.33833  0.000000       
0.000000  236.3634       30.33833  ?        ?        144.9272 10.36250 
0.000000       10.36250 
1 1 1 18  18 5  o 43.05161 14.61331 24.02196       15.26653  12.38318       
29.53074  28.26706       17.83467  40.03551 17.85820 45.75496 15.78780 
-5.719456      23.83631 
1 1 1 18  19 0  o 170.0842 5.396394 298.2938       18.66462  255.6691       
36.11292  313.8300       21.80237  153.2253 11.67786 174.0908 6.158522 
-20.86554      13.20226 
1 1 1 18  19 1  f 109.8085 7.021556 126.4821       15.59702  119.0304       
30.90935  129.0276       18.06569  100.8049 15.58092 110.3549 8.107038 
-9.550049      17.56386 
1 1 1 18  19 2  o 101.0031 7.372062 108.0444       15.03714  121.6958       
32.14219  104.2194       17.01385  100.0789 16.35894 98.50075 8.579665 
1.578140       18.47229 
1 1 1 18  19 3  o 33.84371 13.88224 8.427679       15.27516  16.21950       
28.07642  5.151612       18.20534  43.20300 18.34703 34.01488 14.61695 
9.188118       23.45781 
1 1 1 18  19 4  f 81.22839 8.540780 72.71800       13.89642  49.45497       
19.92900  94.73337       19.38721  61.12402 15.88705 90.92357 10.68950 
-29.79955      19.14847 
1 1 1 18  19 5  o 41.30033 14.64149 22.11308       15.40315  -36.51110      
29.96421  43.16827       17.95743  29.18378 14.36128 56.37145 15.28179 
-27.18767      20.97092 
1 1 1 18  20 0  o 75.52524 9.203597 61.32418       13.84285  31.26005       
26.05442  73.14874       16.33991  52.23354 18.97743 82.19970 9.979930 
-29.96616      21.44159 
1 1 1 18  20 1  o 92.38555 8.015171 90.77463       14.90881  146.9926       
31.89932  75.06255       16.86400  112.9252 14.20555 82.81221 10.23178 
30.11298       17.50677 
1 1 1 18  20 2  o 51.61291 14.47587 32.34133       15.80894  -6.694714      
27.99352  50.62074       19.15604  36.31660 16.66558 64.48245 14.90690 
-28.16586      22.35972 
1 1 1 18  20 3  o 127.4444 8.714073 177.1590       22.44815  0.000000       
0.000000  177.1590       22.44815  ?        ?        127.4444 8.714073 
0.000000       8.714073 
1 1 1 18  20 4  o 84.42686 8.430988 78.75022       14.28117  41.21138       
20.69590  112.8732       19.73182  54.19736 16.92556 99.80769 9.850407 
-45.61034      19.58328 
1 1 1 18  21 0  o 107.4498 6.906389 121.0132       15.01071  119.0564       
28.55517  121.7604       17.64542  101.9461 14.15613 107.1550 8.159133 
-5.208885      16.33914 
1 1 1 18  21 1  o 75.37644 9.340967 61.86188       14.01116  50.00425       
30.35188  65.07298       15.79478  60.95063 20.60535 76.75618 10.38599 
-15.80555      23.07486 
1 1 1 18  21 2  o 20.45137 10.12291 -31.68358      15.65535  -27.12162      
27.77648  -33.80744      18.95240  31.05801 14.94381 23.10335 11.37923 
7.954664       18.78308 
1 1 1 18  21 3  o 41.76354 13.57108 21.30588       13.19669  28.55260       
20.66429  16.31484       17.14925  46.71702 16.91184 38.77621 15.10305 
7.940807       22.67405 
1 1 1 18  21 4  o 58.37983 13.43823 43.19625       15.62297  9.439009       
30.38056  55.33259       18.21613  39.22866 17.75281 65.72830 14.05427 
-26.49964      22.64254 
1 1 1 18  22 0  o 110.9619 6.750885 129.1363       15.16061  124.3017       
31.42441  130.6030       17.30811  102.5384 15.55913 111.0811 7.710020 
-8.542770      17.36465 
1 1 1 18  22 1  o 71.15668 9.737507 55.80948       13.72041  97.35239       
27.58913  42.15913       15.81472  89.43536 15.74475 59.70419 13.35960 
29.73117       20.64887 
1 1 1 18  22 2  o 19.45544 9.647967 -30.24316      14.46796  -19.50814      
24.40194  -36.06259      17.96650  30.17193 14.37901 21.70288 10.76055 
8.469057       17.95955 
1 1 1 18  22 3  o 68.04258 10.68823 53.61657       14.30148  38.25494       
21.61576  65.57640       19.07279  52.09763 17.39001 73.05714 13.32922 
-20.95952      21.91074 
1 1 1 18  22 4  o 48.30966 14.62055 31.49672       15.59264  -47.31967      
31.66004  56.73640       17.91617  28.42140 14.12432 66.49617 13.70513 
-38.07477      19.68063 
1 1 1 18  23 0  o 83.87514 8.587429 75.74215       14.44045  121.1572       
31.33436  63.49584       16.27134  100.3214 15.88884 75.45811 10.92154 
24.86334       19.28044 
1 1 1 18  23 1  o 84.49148 9.922359 79.09303       16.72371  94.39111       
31.09260  72.86568       19.83764  84.43752 18.60949 79.02041 12.78166 
5.417114       22.57618 
1 1 1 18  23 2  f 64.92983 10.40991 48.15371       13.28054  40.73238       
28.51767  50.20891       15.00719  52.94452 19.74633 65.41563 11.71154 
-12.47112      22.95817 
1 1 1 18  23 3  o 84.40831 8.666615 79.38491       14.66486  76.79639       
22.41471  81.32213       19.39087  77.01338 14.85078 82.42860 11.91396 
-5.415222      19.03912 
1 1 1 18  23 4  o 42.55437 13.47005 23.85540       13.06409  7.379218       
20.63895  34.87005       16.87503  34.12308 15.09075 49.80746 15.23918 
-15.68438      21.44675 
1 1 1 18  24 0  o 56.58100 12.53393 37.44684       14.04163  18.05439       
29.18137  43.28982       16.01793  44.99234 18.88289 60.42645 13.38787 
-15.43411      23.14732 
1 1 1 18  24 1  o 54.71075 13.62630 36.61811       15.10302  20.77136       
29.07911  42.47187       17.67375  44.85476 18.83873 58.11591 14.88824 
-13.26115      24.01161 
1 1 1 18  24 2  o 70.20550 9.085102 55.16631       12.66614  60.91712       
29.02036  53.81301       14.07779  62.64719 20.10240 68.35583 10.46037 
-5.708637      22.66111 
1 1 1 18  24 3  o 37.48978 14.38169 16.82583       15.37451  -1.579913      
31.05660  22.80090       17.69492  36.12479 16.90971 41.56140 15.54385 
-5.436615      22.96845 
1 1 1 18  25 0  o 50.27878 16.56762 32.28503       19.64244  42.57635       
26.28102  19.26081       29.56532  55.71544 19.16845 44.90842 18.93540 
10.80702       26.94399 
1 1 1 18  25 1  o 53.94804 12.49466 35.16584       13.43778  55.87259       
30.23294  30.06792       15.00102  60.22303 20.56393 48.77689 14.23806 
11.44615       25.01195 
1 1 1 18  25 2  o 33.95800 12.97460 12.40370       12.48197  -22.50084      
27.98189  21.07434       13.94638  30.70097 14.82868 40.82767 13.96667 
-10.12670      20.37051 
1 1 1 18  25 3  o 112.5295 8.031446 140.7440       18.25785  41.05278       
35.86381  175.6199       21.21244  47.94100 20.55607 125.2882 8.374088 
-77.34722      22.19633 
1 1 1 18  26 0  o 33.92310 14.93459 3.116512       19.99187  15.09510       
28.18901  -9.005512      28.35729  42.18997 18.16022 34.94214 16.29068 
7.247826       24.39630 
1 1 1 18  26 1  o 57.98870 11.40545 39.91861       12.97030  -6.485165      
28.59405  51.93980       14.55367  34.83797 16.28109 66.53300 11.15143 
-31.69503      19.73394 
1 1 1 18  26 2  o 86.99630 8.118485 84.03102       14.19645  79.16744       
35.96594  84.92863       15.45105  64.67795 22.41409 86.76070 8.882812 
-22.08276      24.11008 
1 1 1 18  26 3  o 66.25753 10.82730 53.12994       14.08439  43.74118       
22.03123  59.61920       18.31606  52.20770 17.55569 66.91110 13.91471 
-14.70340      22.40137 
1 1 1 18  27 0  o 46.26534 13.39792 26.71540       13.33022  11.72950       
28.00199  31.10663       15.15796  40.18768 17.68421 49.35420 14.28535 
-9.166519      22.73329 
1 1 1 18  27 1  o 51.33761 12.28897 32.67478       12.65867  40.01125       
29.62125  31.03556       14.00163  50.01032 19.73819 49.03463 13.57769 
0.9756966      23.95724 
1 1 1 18  27 2  o 31.19350 14.64655 -5.816536      23.60854  0.000000       
0.000000  -5.816536      23.60854  ?        ?        31.19350 14.64655 
0.000000       14.64655 
1 1 1 18  28 0  o 35.27531 14.80134 10.70649       17.92292  21.13697       
25.41389  0.3853692      25.28031  42.22502 17.66533 34.80683 15.92283 
7.418190       23.78235 
1 1 1 18  28 1  o 79.12492 9.841610 72.61114       15.49332  60.16230       
28.48263  77.84252       18.46392  59.28295 19.96116 80.04557 11.68774 
-20.76262      23.13117 
1 1 1 18  28 2  o 83.05033 8.860822 79.23540       14.73362  0.000000       
0.000000  79.23540       14.73362  ?        ?        83.05033 8.860822 
0.000000       8.860822 
1 1 1 18  29 0  o 31.32297 12.52557 9.386533       12.07652  -11.30004      
28.15225  14.05167       13.36907  32.58474 15.50558 35.05983 13.42010 
-2.475090      20.50663 
1 1 1 18  29 1  o 36.21956 14.73547 15.59243       17.03435  0.000000       
0.000000  15.59243       17.03435  ?        ?        36.21956 14.73547 
0.000000       14.73547 
1 1 1 18  30 0  o 25.86582 11.43725 0.9786795      11.85073  -57.30512      
29.33929  12.34165       12.95453  25.54148 12.82661 33.29916 13.08159 
-7.757689      18.32075 
1 1 1 18  30 1  o 28.29563 12.24435 4.876843       12.95263  0.000000       
0.000000  4.876843       12.95263  ?        ?        28.29563 12.24435 
0.000000       12.24435 
1 1 1 18  31 0  o 32.18821 13.47349 10.23365       14.79498  0.000000       
0.000000  10.23365       14.79498  ?        ?        32.18821 13.47349 
0.000000       13.47349 
1 1 1 18  32 0  o 25.91972 11.86274 -1.285342      14.05400  0.000000       
0.000000  -1.285342      14.05400  ?        ?        25.91972 11.86274 
0.000000       11.86274 
1 1 1 19  0  0  o 53.06554 24.14300 45.36608       28.22686  45.36608       
28.22686  45.36608       28.22686  53.06554 24.14300 53.06554 24.14300 
0.000000       0.000000 
1 1 1 19  0  1  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 19  0  2  o 23.03638 15.33350 -3.485728      19.34530  -3.485728      
19.34530  -3.485728      19.34530  23.03638 15.33350 23.03638 15.33350 
0.000000       0.000000 
1 1 1 19  0  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 19  0  4  o 82.42353 12.62201 78.26321       19.68197  78.26321       
19.68197  78.26321       19.68197  82.42353 12.62201 82.42353 12.62201 
0.000000       0.000000 
1 1 1 19  0  5  o 37.96113 19.19462 26.52510       18.40640  26.52510       
18.40640  26.52510       18.40640  37.96113 19.19462 37.96113 19.19462 
0.000000       0.000000 
1 1 1 19  1  0  o 49.71279 14.33275 27.82393       15.28564  22.99154       
18.47171  38.32190       27.22569  46.54174 16.06683 57.76761 19.51543 
-11.22587      25.27835 
1 1 1 19  1  1  o 35.33386 14.01630 8.986444       15.00695  30.46805       
21.15172  -12.78735      21.29508  51.70910 17.19975 31.10826 14.36936 
20.60084       22.41227 
1 1 1 19  1  2  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 19  1  3  o 91.08064 7.683295 88.13648       14.09780  99.01325       
20.18432  77.77632       19.69914  94.77221 10.65816 83.02831 12.01674 
11.74390       16.06232 
1 1 1 19  1  4  o 41.83126 13.41275 20.68274       12.92127  30.38695       
18.24652  10.92106       18.30047  49.13931 15.95727 36.94552 15.17940 
12.19379       22.02382 
1 1 1 19  1  5  o 42.57734 13.26057 22.28043       12.71320  13.80919       
17.95910  30.78966       17.99933  37.51612 15.17803 48.37220 15.85569 
-10.85608      21.94938 
1 1 1 19  2  0  o 49.11640 14.45606 27.11220       15.40731  30.96726       
18.78207  19.18077       26.94037  52.25264 16.09223 47.63947 18.81702 
4.613167       24.75964 
1 1 1 19  2  1  o 43.03318 15.19679 19.29698       16.57823  22.76148       
26.35852  17.02954       21.32400  48.60582 18.78185 43.60054 16.88047 
5.005276       25.25288 
1 1 1 19  2  2  o 68.17040 10.77479 51.12735       14.44034  30.24555       
20.63776  71.15715       20.21235  50.87375 16.99200 79.44231 12.95841 
-28.56855      21.36933 
1 1 1 19  2  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 19  2  4  o 97.58421 10.63171 106.7284       20.75627  106.7284       
20.75627  0.000000       0.000000  97.58421 10.63171 ?        ?        
0.000000       10.63171 
1 1 1 19  2  5  o 43.49294 13.25299 23.34600       12.78022  50.49173       
18.80128  0.2902379E-01  17.42500  62.75686 14.94638 30.69723 13.70349 
32.05963       20.27757 
1 1 1 19  3  0  o 32.03620 13.02209 5.584115       13.28854  9.048474       
19.10730  2.338796       18.49339  38.39999 15.61261 34.65546 14.80765 
3.744526       21.51790 
1 1 1 19  3  1  o 85.31404 10.47702 78.60050       17.79447  60.34014       
28.94664  89.69279       22.56077  69.95853 19.57642 90.06371 12.66855 
-20.10518      23.31799 
1 1 1 19  3  2  o 40.12045 14.17422 16.89799       14.42371  43.44358       
21.46191  -4.967804      19.47846  59.86764 16.89323 31.88685 14.34213 
27.98079       22.16028 
1 1 1 19  3  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 19  3  4  o 56.87149 12.62901 38.34237       14.22511  40.87481       
19.79100  35.63573       20.46037  56.29288 16.33167 52.38642 16.88655 
3.906456       23.49211 
1 1 1 19  3  5  o 76.54470 9.339809 65.56586       14.23650  66.27456       
20.17364  64.86278       20.09351  72.99197 14.10162 72.08693 14.21233 
0.9050369      20.02114 
1 1 1 19  4  0  o 29.09898 12.39326 1.290797       12.87857  -7.935240      
18.51925  9.930919       17.92155  30.44667 13.81170 38.07094 15.24633 
-7.624264      20.57216 
1 1 1 19  4  1  o 58.89627 15.33266 40.40391       18.54288  49.02732       
28.58993  34.14251       24.36180  63.17235 19.91932 54.28821 18.45991 
8.884136       27.15782 
1 1 1 19  4  2  o 79.43868 9.571153 68.15710       15.15007  60.03667       
21.47933  76.19655       21.37196  71.43481 15.25031 81.98779 13.27231 
-10.55298      20.21698 
1 1 1 19  4  3  o 70.04295 9.904567 53.99378       13.71411  54.66256       
19.75300  53.37143       19.05519  67.53222 14.79293 66.95721 14.42081 
0.5750122      20.65891 
1 1 1 19  4  4  o 46.62112 13.43379 26.31746       13.43173  18.89881       
18.70236  34.21989       19.30254  41.43485 15.86983 51.55894 16.37897 
-10.12409      22.80619 
1 1 1 19  4  5  o 33.48360 13.14847 10.80850       13.08212  21.01029       
19.62625  2.651666       17.54931  41.87141 16.19915 31.79980 13.99634 
10.07162       21.40818 
1 1 1 19  5  0  o 64.19448 12.91547 45.98477       16.27610  68.85369       
29.93645  36.38802       19.39276  75.49397 19.39637 56.13642 16.13201 
19.35756       25.22818 
1 1 1 19  5  1  o 77.54050 12.05954 66.42488       18.39770  52.35330       
28.57203  76.39146       24.04599  65.04800 19.81481 81.58553 15.04806 
-16.53753      24.88113 
1 1 1 19  5  2  o 78.33767 9.728154 66.48440       15.16356  56.46660       
21.52014  76.36260       21.36969  68.87499 15.71245 82.02203 13.26479 
-13.14704      20.56298 
1 1 1 19  5  3  x ?        ?        ?              ?         ?              ? 
?              ?         ?        ?        ?        ?        ?              ? 
1 1 1 19  5  4  o 82.59938 8.786515 74.63116       14.53199  64.21009       
20.82919  84.51415       20.28433  72.25257 14.67721 85.50561 11.99589 
-13.25304      18.95578 
1 1 1 19  5  5  o 69.17916 11.65748 56.47249       15.81648  65.03826       
25.91102  51.38531       19.96825  67.40801 18.39138 62.35239 15.74506 
5.055626       24.21053 
1 1 1 19  6  0  o 119.5477 7.801064 149.4570       18.86076  167.8075       
32.26657  139.9331       23.24550  123.7738 13.01447 114.6055 10.07669 
9.168365       16.45953 
1 1 1 19  6  1  o 118.1390 6.997741 145.6497       16.73644  163.8053       
31.60140  138.5721       19.73077  121.6754 12.97179 114.5102 8.534499 
7.165169       15.52756 
1 1 1 19  6  2  o 88.86334 9.800756 85.48605       17.41600  70.12779       
20.87885  120.6150       31.57680  78.24877 13.61585 101.2510 15.85666 
-23.00227      20.90036 
1 1 1 19  6  3  o 59.48088 11.89877 40.60392       13.88968  30.05189       
20.11135  50.22717       19.20587  49.53437 16.77275 64.37330 14.95681 
-14.83893      22.47291 
1 1 1 19  6  4  f 38.25787 13.53649 16.58710       13.15975  6.460948       
18.92097  26.07523       18.31520  34.88078 14.94278 45.77262 15.98738 
-10.89185      21.88339 
1 1 1 19  6  5  o 34.81750 13.71723 12.14941       14.28222  -14.67954      
24.47556  26.00165       17.58695  30.70705 14.56692 44.70533 15.66340 
-13.99828      21.39012 
1 1 1 19  7  0  o 48.11010 15.79990 25.69728       17.86973  55.22329       
29.40540  8.408469       22.50128  67.22222 20.01820 40.11980 16.68946 
27.10242       26.06274 
1 1 1 19  7  1  o 42.03805 14.86192 18.51149       15.85990  -15.03536      
24.76878  41.82443       20.64796  33.06184 15.35078 59.29344 16.51324 
-26.23159      22.54625 
1 1 1 19  7  2  o 62.30550 13.84041 45.20123       17.07991  32.79636       
20.64546  72.10432       30.40393  52.22723 16.97454 74.77982 19.71378 
-22.55258      26.01477 
1 1 1 19  7  3  f 117.9755 9.298732 151.1190       22.12747  0.000000       
0.000000  151.1190       22.12747  ?        ?        117.9755 9.298732 
0.000000       9.298732 
1 1 1 19  7  4  o 82.08474 8.599622 73.69724       14.14155  92.40585       
21.38029  59.14680       18.85520  89.13110 12.10946 69.78485 13.77575 
19.34624       18.34149 
1 1 1 19  7  5  o 79.82335 10.04738 72.65552       15.94791  44.58942       
27.17045  87.40702       19.69808  53.99992 19.41358 86.24039 11.52011 
-32.24047      22.57432 
1 1 1 19  8  0  o 163.3431 6.128720 275.6092       20.35739  311.8461       
37.50858  260.4778       24.23784  170.6100 10.86780 158.1617 7.536003 
12.44827       13.22499 
1 1 1 19  8  1  o 80.03314 9.221030 68.64536       14.73278  94.67266       
28.93788  59.53858       17.11727  89.71729 16.46819 73.24487 11.90079 
16.47243       20.31822 
1 1 1 19  8  2  o 57.80411 19.76636 42.49516       27.93366  0.000000       
0.000000  42.49516       27.93366  ?        ?        57.80411 19.76636 
0.000000       19.76636 
1 1 1 19  8  3  o 42.59204 13.76768 21.23925       13.59328  28.82545       
19.93594  14.64783       18.58291  48.43220 16.69308 39.42223 15.61006 
9.009968       22.85460 
1 1 1 19  8  4  o 35.10478 13.50355 12.36166       13.57722  47.45885       
21.18800  -12.09066      17.68536  59.69864 16.76390 26.90762 12.64780 
32.79103       20.99988 
1 1 1 19  8  5  o 18.44945 9.107287 -23.43788      12.37146  -51.68920      
18.57997  -0.9362926     16.58182  19.59620 9.887864 29.40615 13.22898 
-9.809954      16.51592 
1 1 1 19  9  0  f 35.92830 14.08806 9.936114       14.99870  32.67794       
27.43830  0.2448293      17.91163  54.04807 19.49962 33.03262 14.34638 
21.01545       24.20855 
1 1 1 19  9  1  o 56.28004 12.56732 35.97105       14.01936  33.92642       
27.48903  36.68981       16.29826  53.97143 19.51061 56.17664 14.24623 
-2.205212      24.15821 
1 1 1 19  9  2  o 54.18526 12.95174 34.08771       14.07724  25.57058       
20.62118  41.52096       19.26445  47.23497 16.92000 58.42585 15.82375 
-11.19088      23.16630 
1 1 1 19  9  3  o 51.69268 13.16655 31.88987       13.87864  17.29265       
19.89321  45.73206       19.37189  41.25842 16.20997 60.46948 15.63739 
-19.21106      22.52312 
1 1 1 19  9  4  o 64.54791 12.63240 49.86254       15.98765  37.78926       
27.25107  56.19907       19.74225  51.70678 19.29926 66.68356 14.93052 
-14.97679      24.40045 
1 1 1 19  10 0  o 132.8548 8.512226 186.0450       22.87605  0.000000       
0.000000  186.0450       22.87605  ?        ?        132.8548 8.512226 
0.000000       8.512226 
1 1 1 19  10 1  o 115.4856 9.457818 142.8776       22.01633  0.000000       
0.000000  142.8776       22.01633  ?        ?        115.4856 9.457818 
0.000000       9.457818 
1 1 1 19  10 2  o 43.94660 14.73816 22.18345       15.52665  23.86546       
29.00012  21.50755       18.38346  48.16014 19.35635 44.02661 15.94919 
4.133537       25.08077 
1 1 1 19  10 3  o 33.63367 14.29541 5.661921       17.07178  -16.61592      
20.15955  62.13982       32.09840  27.97705 13.25690 65.22202 21.16386 
-37.24497      24.97307 
1 1 1 19  10 4  o 85.25247 9.510701 81.23182       16.20709  72.83542       
27.80643  85.55183       19.94530  71.56936 18.84590 85.56196 11.77527 
-13.99260      22.22217 
1 1 1 19  11 0  o 110.7143 7.035705 128.0238       15.75805  106.2971       
30.28609  136.0890       18.45250  95.66806 16.14222 113.7120 8.031551 
-18.04394      18.02990 
1 1 1 19  11 1  o 29.77808 12.93524 0.2718692      14.56654  -29.02350      
23.08513  19.65212       18.77641  28.07912 13.53893 43.44453 16.05827 
-15.36541      21.00407 
1 1 1 19  11 2  o 90.75848 8.006829 87.96787       14.62597  74.63551       
20.35726  102.1926       21.02753  80.61925 12.84865 95.94790 10.97449 
-15.32865      16.89756 
1 1 1 19  11 3  o 22.59098 11.28892 -49.22589      21.43265  -116.8612      
30.45732  17.11947       30.16549  ?        ?        44.16415 18.89223 
0.000000       18.89223 
1 1 1 19  11 4  o 55.81421 15.82905 41.41408       18.79397  0.000000       
0.000000  41.41408       18.79397  ?        ?        55.81421 15.82905 
0.000000       15.82905 
1 1 1 19  12 0  o 79.63117 12.05259 70.28277       18.90675  102.3400       
29.91340  48.95693       24.39808  93.48141 16.33015 63.31497 18.06285 
30.16644       24.35036 
1 1 1 19  12 1  o 104.7126 7.926909 116.1550       16.75419  113.7283       
30.74559  117.1800       19.98158  97.98232 15.98163 104.2594 9.529993 
-6.277122      18.60734 
1 1 1 19  12 2  o 33.26265 13.31529 8.535973       13.66315  0.7163945      
19.67377  15.82115       18.98961  33.57433 14.79656 40.42199 15.85143 
-6.847660      21.68424 
1 1 1 19  12 3  o 73.80363 14.48681 66.85348       20.96587  91.91610       
28.92735  39.11918       30.43014  83.60686 17.57240 52.91365 20.24856 
30.69321       26.81033 
1 1 1 19  12 4  o 49.09275 13.21533 30.13032       13.48518  46.23097       
20.17509  17.12807       18.13022  58.29441 16.35431 39.14333 15.44437 
19.15108       22.49426 
1 1 1 19  13 0  o 128.6351 7.910443 174.2930       20.59213  186.9687       
33.86617  166.8575       25.93784  129.5332 13.03380 124.3335 10.35284 
5.199684       16.64516 
1 1 1 19  13 1  o 104.0837 8.192832 115.3047       17.20057  168.8594       
31.93713  93.42339       20.41425  122.1526 13.05942 91.89388 11.15289 
30.25873       17.17369 
1 1 1 19  13 2  o 58.38467 13.93381 40.98468       16.31323  46.82652       
28.89950  38.25273       19.76293  58.41389 20.10048 54.97289 16.42032 
3.441002       25.95489 
1 1 1 19  13 3  o 34.82218 13.78362 11.27611       14.48392  12.20066       
26.29671  10.87349       17.35339  40.45106 17.47546 36.01340 14.78717 
4.437656       22.89218 
1 1 1 19  13 4  o 32.95312 13.11865 10.29116       13.18966  21.81975       
19.67311  0.8780720      17.77670  41.88456 16.21450 30.95697 13.82869 
10.92760       21.31062 
1 1 1 19  14 0  o 36.99924 13.36503 13.71570       12.89548  16.02369       
24.10612  12.79045       15.26298  43.66537 17.61317 37.54531 14.34686 
6.120052       22.71687 
1 1 1 19  14 1  o 82.42924 8.143842 72.66488       13.47242  94.24667       
30.35848  67.37227       15.03388  86.83806 17.78986 78.60043 9.605651 
8.237633       20.21751 
1 1 1 19  14 2  o 64.22643 15.09335 51.00736       19.37932  80.46046       
28.72170  26.39258       26.25685  77.94720 18.41313 47.40242 18.62332 
30.54478       26.18915 
1 1 1 19  14 3  o 64.06951 11.23050 47.74276       14.09854  52.10271       
20.90148  44.10307       19.09715  62.80175 16.24425 58.02468 15.77153 
4.777065       22.64104 
1 1 1 19  14 4  o 33.85449 13.90124 10.31850       15.33706  26.35978       
18.37365  -26.54262      27.85225  44.34549 15.96219 29.88800 14.52027 
14.45749       21.57845 
1 1 1 19  15 0  o 58.56007 11.65090 38.66368       13.38621  45.09192       
25.71295  36.27371       15.67839  59.75486 18.89574 55.67923 13.89228 
4.075638       23.45302 
1 1 1 19  15 1  o 84.79726 8.386916 77.29292       14.27265  113.8990       
31.14398  67.56100       16.05819  96.52672 16.45648 78.14066 10.36126 
18.38606       19.44663 
1 1 1 19  15 2  o 62.39342 15.08785 48.65567       18.93328  77.23227       
29.25686  28.06485       24.83472  74.98886 19.12560 47.62597 18.27647 
27.36289       26.45407 
1 1 1 19  15 3  o 36.90878 13.52728 15.45421       13.27972  -12.21935      
19.70872  38.46529       17.97192  28.22393 13.29294 53.98940 15.53410 
-25.76548      20.44531 
1 1 1 19  15 4  o 40.48468 16.05597 20.32464       19.68835  10.28779       
27.17417  31.41513       28.56492  38.25942 17.09365 46.27748 18.98326 
-8.018055      25.54520 
1 1 1 19  16 0  o 112.8120 8.091248 135.2317       18.43861  198.9990       
33.81215  108.2427       21.99721  133.0527 12.64893 98.98958 11.12004 
34.06317       16.84193 
1 1 1 19  16 1  o 108.1248 6.904665 123.5030       15.10242  152.9521       
33.26044  115.8543       16.95057  113.3394 14.78299 103.9953 8.078699 
9.344109       16.84643 
1 1 1 19  16 2  f 61.51885 14.51701 47.13060       17.86805  82.75552       
26.69941  18.23295       24.04673  79.61026 17.00865 42.31697 17.39481 
37.29329       24.32845 
1 1 1 19  16 3  o 49.26515 12.78695 30.08555       12.92197  48.84114       
20.40071  17.51889       16.69897  59.90093 16.30902 38.92950 14.97549 
20.97142       22.14158 
1 1 1 19  17 0  o 47.20431 13.24591 26.11579       13.23322  -0.8424796     
28.63419  33.43727       14.92239  38.80176 17.42618 53.15845 13.71366 
-14.35669      22.17513 
1 1 1 19  17 1  o 48.40958 14.69175 28.75203       15.72883  64.08672       
29.76537  15.06283       18.52677  67.47515 20.15101 39.40475 15.59175 
28.07040       25.47873 
1 1 1 19  17 2  o 69.77728 11.59295 56.81962       15.87250  76.84046       
28.39969  47.72493       19.14108  73.90844 18.83971 60.78548 15.45172 
13.12296       24.36576 
1 1 1 19  17 3  o 27.13119 11.88995 1.247127       12.54458  -26.68646      
18.04509  27.37239       17.45123  23.13642 11.33665 45.21796 15.61632 
-22.08154      19.29739 
1 1 1 19  18 0  o 97.26487 7.283898 100.3136       14.30232  136.7440       
31.87926  91.13313       16.00326  107.1106 15.05142 91.90615 8.665015 
15.20447       17.36743 
1 1 1 19  18 1  o 90.82883 18.02518 108.6303       32.11818  108.6303       
32.11818  0.000000       0.000000  90.82883 18.02518 ?        ?        
0.000000       18.02518 
1 1 1 19  18 2  o 26.79531 11.63871 1.414871       11.79107  8.581779       
25.10021  -0.6145143     13.35653  38.02191 16.73676 27.16880 12.07135 
10.85311       20.63581 
1 1 1 19  18 3  o 69.55300 14.07461 62.15553       19.22349  -6.007680      
30.21066  108.5325       24.91932  34.99221 16.47372 92.97103 13.58129 
-57.97882      21.35029 
1 1 1 19  19 0  o 79.71803 9.883708 70.26950       15.67878  91.15218       
30.65451  62.87123       18.24594  83.28791 18.57244 73.54117 12.65723 
9.746742       22.47534 
1 1 1 19  19 1  f 48.93943 13.15305 29.25491       13.37102  -10.89163      
28.75971  40.32564       15.10249  34.67603 16.24455 57.62655 13.17466 
-22.95052      20.91548 
1 1 1 19  19 2  o 98.16254 7.184985 104.0381       14.24279  157.3780       
32.80507  91.64806       15.81068  111.2117 14.87865 90.92531 8.655403 
20.28641       17.21308 
1 1 1 19  19 3  o 31.07070 13.72636 3.679888       17.03162  -6.919182      
28.88655  9.327909       21.08676  33.84979 15.98840 35.36203 15.45830 
-1.512238      22.23934 
1 1 1 19  20 0  o 44.75169 14.16196 24.29933       14.44139  36.87444       
27.30495  19.41562       17.01612  52.34518 19.36151 41.35677 15.28693 
10.98841       24.66897 
1 1 1 19  20 1  o 107.6664 6.912565 123.9464       15.05461  191.4385       
33.31219  106.6243       16.87631  126.3335 13.15999 98.60405 8.499532 
27.72940       15.66612 
1 1 1 19  20 2  o 47.30220 12.71017 28.09701       12.48740  46.81120       
28.45696  23.63400       13.89687  53.78101 19.78827 42.84021 13.92672 
10.94080       24.19771 
1 1 1 19  21 0  o 57.18517 12.77455 39.30652       14.48057  75.53172       
26.52883  23.93297       17.28223  75.08479 17.66900 44.06832 15.52108 
31.01647       23.51802 
1 1 1 19  21 1  o 28.33939 11.85069 4.762502       11.42968  14.16346       
24.91139  2.255829       12.86355  39.71541 17.08342 28.06038 12.17231 
11.65503       20.97638 
1 1 1 19  21 2  o 70.11623 10.84436 58.22686       14.96325  0.000000       
0.000000  58.22686       14.96325  ?        ?        70.11623 10.84436 
0.000000       10.84436 
1 1 1 19  22 0  o 37.80981 13.05402 16.74689       12.19387  1.722473       
24.08613  21.92473       14.13979  35.36705 15.92412 42.16320 14.06459 
-6.796158      21.24594 
1 1 1 19  22 1  f 93.96159 8.528307 98.06414       16.11787  149.9152       
30.84046  78.58023       18.90515  108.7162 14.29674 81.03960 11.81966 
27.67662       18.54996 
1 1 1 19  22 2  o 59.90496 11.77307 44.24896       13.83038  0.000000       
0.000000  44.24896       13.83038  ?        ?        59.90496 11.77307 
0.000000       11.77307 
1 1 1 19  23 0  o 30.59236 12.40553 7.631967       12.02724  21.85167       
25.08287  3.386435       13.70560  42.87038 17.70946 29.28619 12.63417 
13.58419       21.75425 
1 1 1 19  23 1  o 67.22424 11.01754 53.83604       14.53936  0.000000       
0.000000  53.83604       14.53936  ?        ?        67.22424 11.01754 
0.000000       11.01754 
1 1 1 19  24 0  o 63.77146 10.00618 47.02219       12.54908  52.66170       
29.63609  45.79010       13.85223  56.21288 20.26786 61.81586 11.44104 
-5.602982      23.27409 
1 1 1 19  24 1  o 36.69362 13.50270 16.74978       13.25049  0.000000       
0.000000  16.74978       13.25049  ?        ?        36.69362 13.50270 
0.000000       13.50270 
1 1 1 19  25 0  o 23.77162 10.86814 -3.711194      11.75387  7.287288       
30.09797  -5.690364      12.76769  37.72969 17.30173 23.93779 11.08150 
13.79190       20.54627 
1 1 1 19  25 1  o 95.76842 7.998053 102.7685       15.43353  0.000000       
0.000000  102.7685       15.43353  ?        ?        95.76842 7.998053 
0.000000       7.998053 
1 1 1 19  26 0  o 57.85365 18.94894 56.07474       25.70909  0.000000       
0.000000  56.07474       25.70909  ?        ?        57.85365 18.94894 
0.000000       18.94894 
1 1 1 19  27 0  o 46.53757 13.66558 29.75453       13.78242  0.000000       
0.000000  29.75453       13.78242  ?        ?        46.53757 13.66558 
0.000000       13.66558 
1 1 1 20  0  0  o 143.1048 7.754705 213.8660       22.41542  213.8660       
22.41542  213.8660       22.41542  143.1048 7.754705 143.1048 7.754705 
0.000000       0.000000 
1 1 1 20  0  1  o 32.76612 18.31618 17.82511       18.25832  17.82511       
18.25832  17.82511       18.25832  32.76612 18.31618 32.76612 18.31618 
0.000000       0.000000 
1 1 1 20  0  2  o 24.24116 15.70720 2.928194       18.33344  2.928194       
18.33344  2.928194       18.33344  24.24116 15.70720 24.24116 15.70720 
0.000000       0.000000 
1 1 1 20  0  3  o 35.59835 18.89440 23.52648       18.42830  23.52648       
18.42830  23.52648       18.42830  35.59835 18.89440 35.59835 18.89440 
0.000000       0.000000 
1 1 1 20  1  0  o 59.55834 14.64077 42.09815       17.60692  0.000000       
0.000000  42.09815       17.60692  ?        ?        59.55834 14.64077 
0.000000       14.64077 
1 1 1 20  1  1  o 26.48678 12.48923 -14.43062      17.48968  0.000000       
0.000000  -14.43062      17.48968  ?        ?        26.48678 12.48923 
0.000000       12.48923 
1 1 1 20  1  2  o 62.64306 10.67539 44.80010       13.11145  31.44206       
18.35674  58.71250       18.73378  49.45380 16.00053 69.60796 13.72253 
-20.15416      21.07901 
1 1 1 20  1  3  o 60.79296 10.93153 43.21437       13.01721  46.96321       
18.33884  39.40751       18.48019  60.01943 15.05231 54.18002 15.79969 
5.839417       21.82206 
1 1 1 20  2  0  o 157.0218 5.214883 254.8235       16.65160  229.2186       
23.03697  282.8381       24.09659  147.3317 7.715972 164.2150 7.215913 
-16.88327      10.56436 
1 1 1 20  2  1  o 40.82133 13.55437 19.12531       13.13802  4.347652       
18.57019  33.93412       18.58975  34.26529 14.74446 52.19685 15.99878 
-17.93156      21.75684 
1 1 1 20  2  2  f 30.48982 12.54823 6.186923       12.53229  3.146385       
17.96741  9.067687       17.48896  32.74598 14.29315 35.24850 14.69258 
-2.502525      20.49795 
1 1 1 20  2  3  f 36.75207 13.27228 15.63129       12.71592  28.34959       
17.98567  2.920479       17.98038  46.23641 15.86016 32.04226 14.13216 
14.19415       21.24294 
1 1 1 20  3  0  o 85.36526 7.650300 77.28918       13.13950  50.38101       
18.37245  105.4614       18.79902  65.48232 14.20574 98.78787 9.474146 
-33.30555      17.07520 
1 1 1 20  3  1  o 39.92482 13.46751 18.11726       12.96554  26.57150       
18.20979  9.424422       18.46497  46.87843 15.95970 36.59447 15.16207 
10.28396       22.01364 
1 1 1 20  3  2  o 45.82103 13.60666 25.73315       13.59988  52.22898       
19.46064  0.4411139      19.01342  64.32167 15.13121 32.29840 14.37391 
32.02327       20.87014 
1 1 1 20  3  3  o 57.15837 12.03576 39.40175       13.54744  61.89578       
18.87995  15.52707       19.45073  70.54584 13.65420 38.57944 15.72645 
31.96640       20.82686 
1 1 1 20  4  0  o 132.2211 6.850472 183.3824       18.35611  177.2476       
32.56736  186.2388       22.22226  125.1773 12.98278 132.3083 8.301482 
-7.131042      15.40997 
1 1 1 20  4  1  o 108.5595 13.71159 138.0103       29.59456  138.0103       
29.59456  0.000000       0.000000  108.5595 13.71159 ?        ?        
0.000000       13.71159 
1 1 1 20  4  2  o 80.39407 12.66327 76.39686       20.01748  0.000000       
0.000000  76.39686       20.01748  ?        ?        80.39407 12.66327 
0.000000       12.66327 
1 1 1 20  4  3  o 39.27736 15.46329 17.60374       18.13750  0.000000       
0.000000  17.60374       18.13750  ?        ?        39.27736 15.46329 
0.000000       15.46329 
1 1 1 20  5  0  o 42.28378 13.51628 20.41029       13.12920  77.20804       
27.07690  2.951540       15.01205  78.89827 17.34865 31.30610 13.35801 
47.59217       21.89548 
1 1 1 20  5  1  o 59.20732 13.38043 41.75824       15.73090  76.16418       
27.36689  24.78040       19.22427  76.54045 17.90178 45.60661 16.33684 
30.93384       24.23564 
1 1 1 20  5  2  o 28.38901 12.26718 2.092208       12.96362  5.845337       
18.49389  -1.533351      18.17687  34.13052 14.70020 30.85774 13.86928 
3.272779       20.21021 
1 1 1 20  5  3  o 84.02657 8.483685 78.15221       14.29766  79.97757       
21.21003  76.63191       19.35670  80.44624 13.43948 79.82424 12.32128 
0.6219940      18.23276 
1 1 1 20  6  0  o 35.32315 14.15386 9.674273       15.45472  35.42418       
26.80948  -3.141581      18.91361  53.40380 19.27370 31.73372 14.21347 
21.67008       23.94782 
1 1 1 20  6  1  o 115.7154 7.280966 142.3197       17.04557  173.8027       
30.95055  128.6134       20.42169  122.9175 12.55875 108.4730 9.349359 
14.44449       15.65672 
1 1 1 20  6  2  o 80.11030 12.68766 76.25557       19.98044  0.000000       
0.000000  76.25557       19.98044  ?        ?        80.11030 12.68766 
0.000000       12.68766 
1 1 1 20  6  3  o 36.96021 13.83045 15.77633       14.01257  3.592980       
23.73945  22.29093       17.35927  35.17623 15.82638 41.85755 15.44661 
-6.681316      22.11497 
1 1 1 20  7  0  o 64.40518 12.52046 47.72702       15.80745  52.90218       
27.77318  45.24723       19.22521  63.14742 19.58855 60.91743 15.48585 
2.229988       24.97044 
1 1 1 20  7  1  o 84.37066 7.932174 76.62437       13.44950  68.81920       
27.00640  79.19864       15.50964  71.71463 18.42129 85.05708 9.108467 
-13.34245      20.55014 
1 1 1 20  7  2  o 28.48570 12.20758 2.955819       12.63636  7.231467       
19.12698  -0.3557494     16.83303  34.93892 14.99731 30.21498 13.47988 
4.723940       20.16498 
1 1 1 20  7  3  o 33.05369 13.66342 9.212088       14.94534  -10.05705      
24.59229  20.49634       18.81934  31.56608 14.86149 40.77752 15.83838 
-9.211435      21.71907 
1 1 1 20  8  0  o 32.39727 13.67193 4.724746       15.43467  21.91990       
26.48759  -4.115796      18.99236  46.23812 18.52882 31.29855 14.11182 
14.93957       23.29079 
1 1 1 20  8  1  o 47.35222 13.00993 26.92873       12.91312  40.50829       
24.65480  21.79539       15.15859  54.70114 18.57073 42.77544 14.56136 
11.92570       23.59884 
1 1 1 20  8  2  o 61.84207 15.05127 49.16831       18.74928  0.000000       
0.000000  49.16831       18.74928  ?        ?        61.84207 15.05127 
0.000000       15.05127 
1 1 1 20  8  3  o 20.52619 9.983753 -18.52431      13.27013  -21.51605      
19.21357  -15.79550      18.34982  25.12837 12.17331 25.82674 12.35260 
-0.6983662     17.34290 
1 1 1 20  9  0  o 44.00445 14.33383 22.72895       14.71848  56.16458       
24.62564  4.146375       18.35844  65.85155 17.91390 34.11636 14.66992 
31.73520       23.15415 
1 1 1 20  9  1  o 47.08621 16.56345 27.90923       19.67560  58.18442       
28.02720  -1.509860      27.62808  63.93880 19.65223 36.89041 16.78673 
27.04839       25.84578 
1 1 1 20  9  2  o 23.13986 10.91844 -10.82943      13.40806  2.133296       
23.10979  -17.40713      16.46209  34.82257 15.64602 24.11272 11.57677 
10.70985       19.46329 
1 1 1 20  10 0  o 70.61157 11.90364 57.07355       16.48468  101.8347       
30.01638  37.74287       19.72565  90.12926 17.00065 54.66604 16.42210 
35.46322       23.63699 
1 1 1 20  10 1  o 59.43143 13.26432 42.74279       15.62429  45.96917       
28.21036  41.31519       18.76529  56.46596 19.83484 56.60879 15.73419 
-0.1428299     25.31769 
1 1 1 20  10 2  o 43.30892 14.72773 23.89517       15.50680  58.86079       
27.42890  7.469823       18.79945  62.24769 19.49266 34.48711 14.83756 
27.76058       24.49728 
1 1 1 20  11 0  o 35.52635 13.46965 12.41785       13.38781  5.662687       
27.39364  14.53759       15.34523  39.52175 17.43659 37.85449 14.40437 
1.667259       22.61683 
1 1 1 20  11 1  o 37.71531 15.55601 12.52751       19.31264  44.32626       
27.95652  -16.49978      26.71045  55.23019 19.70966 32.14078 15.23847 
23.08942       24.91349 
1 1 1 20  11 2  o 32.21431 13.08572 8.954360       13.40733  0.4212794      
20.02326  15.88951       18.05135  32.19844 14.50624 38.21741 15.30270 
-6.018970      21.08562 
1 1 1 20  12 0  o 24.62500 11.26449 -5.689601      12.65014  -4.442911      
24.85181  -6.125591      14.69660  34.70384 15.84168 26.49574 12.12804 
8.208107       19.95114 
1 1 1 20  12 1  f 25.55267 12.21183 -17.01461      17.86038  0.000000       
0.000000  -17.01461      17.86038  ?        ?        25.55267 12.21183 
0.000000       12.21183 
1 1 1 20  12 2  o 52.33399 15.98828 37.74967       18.58278  0.000000       
0.000000  37.74967       18.58278  ?        ?        52.33399 15.98828 
0.000000       15.98828 
1 1 1 20  13 0  o 59.87244 11.28676 41.37883       13.23792  64.25520       
29.01027  35.36263       14.87714  67.09138 19.86141 53.86839 13.58375 
13.22299       24.06229 
1 1 1 20  13 1  o 88.75756 9.173707 87.70675       16.31886  94.25024       
31.34770  85.27427       19.11287  80.96380 19.31066 85.73288 11.23321 
-4.769081      22.34025 
1 1 1 20  13 2  o 47.95663 15.07622 31.07186       16.38990  33.20070       
20.07936  26.82172       28.37140  48.27672 16.74654 44.51300 18.64712 
3.763725       25.06315 
1 1 1 20  14 0  o 88.63541 11.66459 90.71913       20.51396  77.32323       
30.42008  101.8919       27.78139  73.37168 19.88968 89.87103 15.77691 
-16.49934      25.38720 
1 1 1 20  14 1  o 46.40137 12.86327 26.74105       12.55938  65.54249       
28.79094  17.62210       13.95739  65.29849 19.89045 38.49570 13.90461 
26.80279       24.26867 
1 1 1 20  14 2  o 42.02325 15.15536 23.43823       16.57203  32.10704       
20.75140  8.175950       27.53450  47.05577 16.96080 37.48321 16.93748 
9.572563       23.96971 
1 1 1 20  15 0  o 88.25101 11.58209 90.35882       20.28349  139.9066       
31.71351  56.05962       26.38605  105.6995 15.19086 62.29830 19.05491 
43.40125       24.36908 
1 1 1 20  15 1  o 45.04652 12.87590 25.42456       12.38534  58.20914       
28.08769  17.51130       13.79936  60.72740 19.80205 38.17760 13.82014 
22.54980       24.14782 
1 1 1 20  16 0  o 60.77607 12.80302 44.93903       15.32373  63.28022       
27.26139  36.46715       18.52781  65.57365 19.20910 52.24055 15.96543 
13.33309       24.97768 
1 1 1 20  16 1  o 42.00319 13.25388 22.40519       12.65581  27.13842       
28.04555  21.19488       14.18188  44.66202 18.61020 40.78073 14.07808 
3.881294       23.33521 
1 1 1 20  17 0  o 27.22696 11.78383 2.085813       12.00058  29.82624       
25.73366  -5.623465      13.56600  46.60093 18.39585 25.08937 11.54594 
21.51156       21.71903 
1 1 1 20  17 1  o 30.98421 12.97625 7.310943       13.73318  2.732953       
28.08558  8.749482       15.74370  36.06040 16.60146 32.84793 13.83220 
3.212475       21.60875 
1 1 1 20  18 0  o 26.41910 11.56093 1.139084       11.82148  -0.5240446     
28.25267  1.492052       13.01562  35.80628 16.54355 27.61507 12.10634 
8.191210       20.50006 
1 1 1 20  18 1  o 50.89716 15.04082 35.93923       16.64927  0.000000       
0.000000  35.93923       16.64927  ?        ?        50.89716 15.04082 
0.000000       15.04082 
1 1 1 20  19 0  o 24.94727 11.29248 -2.478569      12.30088  13.51067       
29.95655  -5.721317      13.49070  39.87885 17.87292 24.70965 11.42194 
15.16921       21.21089 
1 1 1 20  20 0  o 36.37052 13.42933 16.12058       13.12489  0.000000       
0.000000  16.12058       13.12489  ?        ?        36.37052 13.42933 
0.000000       13.42933 
1 1 1 20  21 0  o 31.87764 13.01030 9.876328       13.33250  0.000000       
0.000000  9.876328       13.33250  ?        ?        31.87764 13.01030 
0.000000       13.01030 
1 1 1 21  0  0  o 21.17986 13.91732 0.1753006      15.13273  0.1753006      
15.13273  0.1753006      15.13273  21.17986 13.91732 21.17986 13.91732 
0.000000       0.000000 
1 1 1 21  0  1  o 43.69320 19.64601 33.49411       18.67213  33.49411       
18.67213  33.49411       18.67213  43.69320 19.64601 43.69320 19.64601 
0.000000       0.000000 
1 1 1 21  1  0  o 23.41393 10.94583 -8.745794      12.94159  -12.06822      
23.81273  -7.353125      15.41719  31.10675 14.63879 26.28154 12.17023 
4.825212       19.03704 
1 1 1 21  1  1  o 66.64515 10.44331 51.75584       13.68836  41.07904       
19.14661  62.91816       19.57710  54.29481 16.14966 70.01265 14.23549 
-15.71784      21.52814 
1 1 1 21  2  0  o 81.77320 8.988755 74.28234       14.70058  80.05597       
27.63694  72.00420       17.36024  75.76531 18.17175 78.78968 11.14621 
-3.024368      21.31784 
1 1 1 21  2  1  o 39.44907 13.50844 19.43408       13.04640  29.49063       
18.80690  10.10548       18.11344  46.20148 16.19699 34.90675 14.77525 
11.29473       21.92374 
1 1 1 21  3  0  o 27.78669 11.91307 2.813657       12.04317  -13.87791      
25.03307  7.840289       13.73738  31.35380 14.83223 31.94845 13.14185 
-0.5946484     19.81674 
1 1 1 21  3  1  o 81.48220 8.684898 74.24908       14.16883  66.86428       
20.30959  81.25131       19.77654  71.99796 14.37506 81.83797 12.26101 
-9.840004      18.89378 
1 1 1 21  4  0  o 58.87456 12.59505 42.13697       14.62322  67.17484       
27.70358  32.46648       17.21716  67.42743 19.25158 49.59166 15.42956 
17.83577       24.67174 
1 1 1 21  4  1  o 25.05701 11.35368 -2.706350      12.47098  -1.237652      
18.04367  -4.049612      17.25596  30.01235 13.62180 28.46138 13.06961 
1.550968       18.87772 
1 1 1 21  5  0  o 58.82742 11.37589 40.92308       13.11647  -15.41730      
26.59505  59.03202       15.07778  31.79288 15.11178 71.43847 10.70897 
-39.64558      18.52155 
1 1 1 21  5  1  o 54.29383 13.70539 38.13557       15.13354  49.04752       
26.54214  32.87941       18.42125  55.25446 19.24895 48.39676 16.04902 
6.857693       25.06178 
1 1 1 21  6  0  o 92.07342 7.658175 92.21700       14.20865  93.15235       
29.50754  91.93465       16.21193  81.22375 18.30335 90.93080 8.880796 
-9.707054      20.34407 
1 1 1 21  6  1  o 34.44386 13.69663 12.48665       14.36253  20.05625       
25.50598  8.971974       17.37994  41.11616 17.47452 33.79504 14.39531 
7.321117       22.64031 
1 1 1 21  7  0  o 42.88088 12.99529 22.94047       12.31254  -0.4001463     
25.45377  30.07010       14.06791  34.84999 15.95533 48.57590 13.66660 
-13.72591      21.00830 
1 1 1 21  8  0  o 50.27736 19.78343 39.14701       29.67300  39.14701       
29.67300  0.000000       0.000000  50.27736 19.78343 ?        ?        
0.000000       19.78343 
1 1 1 21  9  0  o 45.29178 14.70754 27.09033       15.50043  -4.000590      
27.07485  42.24911       18.90521  34.32730 15.97524 55.38124 15.93170 
-21.05394      22.56163 
1 1 1 21  10 0  o 95.30061 7.263148 98.74679       13.96978  106.9928       
30.40747  96.54070       15.72785  86.67203 17.84689 93.23820 8.384816 
-6.566170      19.71843 
1 1 1 21  11 0  o 46.30834 13.03864 27.47732       12.79969  75.68487       
28.82747  15.63971       14.28502  69.14501 19.60226 36.49639 13.89541 
32.64862       24.02772 
1 1 1 21  12 0  o 86.31342 8.938530 84.28931       15.46163  125.4655       
30.64957  70.23363       17.90718  95.36683 16.39532 75.80401 12.01762 
19.56282       20.32805 
1 1 1 21  13 0  o 47.51519 15.72652 32.26897       17.69147  0.000000       
0.000000  32.26897       17.69147  ?        ?        47.51519 15.72652 
0.000000       15.72652 
# 

#END OF REFLECTIONS
