data_r6dy9sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2019-01-23 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      6dy9 
_cell.length_a      46.2210 
_cell.length_b      46.2210 
_cell.length_c      43.4260 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   120.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97860 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.205 
_diffrn_reflns.pdbx_d_res_low    40.072 
_diffrn_reflns.limit_h_max       17 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       18 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       19 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            2711 
_diffrn_reflns.pdbx_number_obs   2390 
# 
_entry.id   6dy9 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               6dy9 
_symmetry.space_group_name_H-M   "P 61" 
_symmetry.Int_Tables_number      169 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"         
2 "X-Y,  X,  Z+1/6"   
3 "Y,  -X+Y,  Z+5/6"  
4 "-Y,  X-Y,  Z+1/3"  
5 "-X+Y,  -X,  Z+2/3" 
6 "-X,  -Y,  Z+1/2"   
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 0  0  6  x ?         ?             ?          ?         ?              ?             
1 1 1 0  0  12 o 75.17673  0.6585491     2266.100   39.70000  4.788010       2.967140      
1 1 1 0  0  18 o 14.75630  0.3718403     87.30000   4.400000  0.000000       0.9512479     
1 1 1 0  1  0  x ?         ?             ?          ?         ?              ?             
1 1 1 0  1  1  o 0.5158015 0.2317672     -0.1000000 0.2000000 0.000000       0.3730003     
1 1 1 0  1  2  x ?         ?             ?          ?         ?              ?             
1 1 1 0  1  3  o 0.7559974 0.2659311     0.2000000  0.2000000 ?              ?             
1 1 1 0  1  4  o 196.5412  2.190907      15531.10   345.3000  ?              ?             
1 1 1 0  1  5  o 26.38825  0.1323209     279.2000   2.800000  0.4594040E-01  0.6422034     
1 1 1 0  1  6  o 46.80244  0.1998361     878.3000   7.500000  -2.053993      0.9636937     
1 1 1 0  1  7  o 52.56947  0.2111239     1108.100   8.900000  -5.205315      1.073227      
1 1 1 0  1  8  o 86.93309  0.3198901     3030.400   22.30000  -1.048294      1.660148      
1 1 1 0  1  9  o 70.80174  0.2677199     2010.000   15.20000  3.732971       1.393182      
1 1 1 0  1  10 o 69.35885  0.2660976     1928.900   14.80000  2.254021       1.389809      
1 1 1 0  1  11 o 15.59395  0.1119574     97.50000   1.400000  -0.7588043     0.5925594     
1 1 1 0  1  12 o 26.90302  0.1390597     290.2000   3.000000  1.674160       0.7335429     
1 1 1 0  1  13 x ?         ?             ?          ?         ?              ?             
1 1 1 0  1  14 o 27.30749  0.1461333     299.0000   3.200000  0.3942375      0.7859141     
1 1 1 0  1  15 o 12.41435  0.1406323     61.80000   1.400000  2.772194       0.8672975     
1 1 1 0  1  16 o 17.68040  0.1410649     125.3000   2.000000  3.046082       1.155782      
1 1 1 0  1  17 o 5.508129  0.3183172     12.20000   1.400000  -0.6532049     2.179528      
1 1 1 0  1  18 o 4.244578  0.4474355     7.300000   1.500000  0.000000       1.038485      
1 1 1 0  1  19 x ?         ?             ?          ?         0.000000       0.7308879     
1 1 1 0  2  0  x ?         ?             ?          ?         ?              ?             
1 1 1 0  2  1  o 50.50594  0.2592555     1022.800   10.50000  -4.848610      1.367883      
1 1 1 0  2  2  x ?         ?             ?          ?         ?              ?             
1 1 1 0  2  3  x ?         ?             ?          ?         ?              ?             
1 1 1 0  2  4  o 126.3770  0.5683756     6404.900   57.60000  7.511200       3.344931      
1 1 1 0  2  5  o 210.4500  1.182157      17777.00   199.5000  -3.598450      6.268937      
1 1 1 0  2  6  o 31.22353  0.1637506     390.9000   4.100000  2.701721       0.7680250     
1 1 1 0  2  7  o 95.78323  0.4140175     3679.200   31.80000  0.9191132      1.959193      
1 1 1 0  2  8  o 61.87832  0.2740826     1535.300   13.60000  -2.702896      1.359610      
1 1 1 0  2  9  o 47.67915  0.2066235     911.5000   7.900000  1.646187       0.9957821     
1 1 1 0  2  10 o 81.94456  0.3287113     2692.500   21.60000  -0.7140961     1.584374      
1 1 1 0  2  11 o 37.79327  0.1814802     572.7000   5.500000  2.053658       0.8585742     
1 1 1 0  2  12 f 63.78969  0.2639152     1631.600   13.50000  5.553772       1.293520      
1 1 1 0  2  13 x ?         ?             ?          ?         ?              ?             
1 1 1 0  2  14 o 25.23311  0.1433205     255.3000   2.900000  3.423649       0.7447308     
1 1 1 0  2  15 o 14.15074  0.1410009     80.30000   1.600000  3.472923       0.7051346     
1 1 1 0  2  16 o 15.09170  0.1404726     91.30000   1.700000  2.425751       0.7131605     
1 1 1 0  2  17 o 8.836133  0.1975818     31.30000   1.400000  -0.7144260E-01 1.221863      
1 1 1 0  2  18 o 4.002868  0.4436114     6.500000   1.400000  1.185770       2.352337      
1 1 1 0  2  19 x ?         ?             ?          ?         -2.693996      2.855613      
1 1 1 0  3  0  o 66.71718  0.4205957     1785.000   22.50000  0.000000       0.000000      
1 1 1 0  3  1  o 95.39548  0.4052425     3649.100   31.00000  -2.983307      2.109007      
1 1 1 0  3  2  o 167.2108  0.7741302     11214.20   103.8000  6.829956       4.232944      
1 1 1 0  3  3  o 115.9192  0.4776489     5388.400   44.40000  -5.565460      2.476480      
1 1 1 0  3  4  o 14.57718  0.1112118     85.20000   1.300000  2.417912       0.6385168     
1 1 1 0  3  5  o 148.0355  0.6629639     8790.200   78.70000  -6.961899      3.883530      
1 1 1 0  3  6  f 28.92646  0.1595099     335.5000   3.700000  -4.202927      0.8161511     
1 1 1 0  3  7  o 51.32824  0.2429544     1056.400   10.00000  4.226471       1.256050      
1 1 1 0  3  8  o 67.63936  0.3078918     1834.500   16.70000  2.841736       1.560586      
1 1 1 0  3  9  o 0.3946658 0.1992535     -1.000000  0.3000000 -33.58635      0.6182088     
1 1 1 0  3  10 o 53.78228  0.2480994     1159.800   10.70000  -1.626350      1.335256      
1 1 1 0  3  11 o 33.43389  0.1753041     448.2000   4.700000  3.482811       0.9591685     
1 1 1 0  3  12 o 81.53566  0.3425954     2665.800   22.40000  4.284927       1.676274      
1 1 1 0  3  13 f 31.63586  0.1931512     401.3000   4.900000  1.924110       1.011853      
1 1 1 0  3  14 o 9.167522  0.1768367     33.70000   1.300000  0.6510754      0.9126042     
1 1 1 0  3  15 o 9.070183  0.1787345     33.00000   1.300000  1.406894       0.8190525     
1 1 1 0  3  16 o 13.81424  0.1534628     76.50000   1.700000  2.619741       0.7089164     
1 1 1 0  3  17 o 3.745837  0.4412526     5.700000   1.300000  1.818302       1.955969      
1 1 1 0  3  18 o 5.005791  0.3764360     10.10000   1.500000  -0.8066130     2.062413      
1 1 1 0  3  19 x ?         ?             ?          ?         0.4317217      1.985788      
1 1 1 0  4  0  o 133.3249  0.7782633     7129.100   83.20000  0.000000       0.000000      
1 1 1 0  4  1  o 157.3262  0.6412518     9926.600   80.90000  -1.153824      3.335841      
1 1 1 0  4  2  o 176.5266  0.7149099     12498.40   101.2000  -0.9197388     3.749597      
1 1 1 0  4  3  o 100.0721  0.4211965     4015.800   33.80000  7.917328       2.209259      
1 1 1 0  4  4  f 92.27570  0.4000234     3414.500   29.60000  -0.8797607     2.029526      
1 1 1 0  4  5  o 51.84534  0.2453418     1077.800   10.20000  -2.755920      1.263147      
1 1 1 0  4  6  o 102.7651  0.4574849     4235.300   37.70000  4.847931       2.518905      
1 1 1 0  4  7  o 53.41425  0.2474742     1144.000   10.60000  -2.889046      1.461609      
1 1 1 0  4  8  o 88.18947  0.3733088     3118.600   26.40000  0.6350098      1.994173      
1 1 1 0  4  9  o 96.70939  0.4061842     3750.300   31.50000  3.148499       2.171531      
1 1 1 0  4  10 o 49.24579  0.2532281     972.4000   10.00000  0.8846054      1.236744      
1 1 1 0  4  11 o 87.41861  0.3922924     3064.400   27.50000  2.840591       2.006560      
1 1 1 0  4  12 o 26.55293  0.1737682     282.7000   3.700000  5.034767       0.8992781     
1 1 1 0  4  13 o 11.14443  0.1902270     49.80000   1.700000  0.7383957      1.036666      
1 1 1 0  4  14 o 33.19238  0.1916076     441.8000   5.100000  4.522293       0.9458545     
1 1 1 0  4  15 o 15.59922  0.1598851     97.80000   2.000000  0.2439175      0.7738768     
1 1 1 0  4  16 o 10.21157  0.1953928     41.80000   1.600000  1.832476       0.9470742     
1 1 1 0  4  17 f 2.432550  0.7189505     2.400000   1.500000  -1.380698      2.242905      
1 1 1 0  4  18 o 3.861119  0.5658476     6.100000   1.700000  -1.983932      2.499629      
1 1 1 0  4  19 x ?         ?             ?          ?         2.679871       1.850864      
1 1 1 0  5  0  o 48.78201  0.3272468     954.3000   12.80000  -0.000000      0.000000      
1 1 1 0  5  1  o 81.47902  0.3550776     2662.100   23.20000  7.585022       2.115767      
1 1 1 0  5  2  o 32.01630  0.1674860     411.0000   4.300000  -0.9510803E-01 0.8608193     
1 1 1 0  5  3  o 39.66676  0.2012029     630.9000   6.400000  2.811932       1.051678      
1 1 1 0  5  4  o 69.62560  0.3044816     1943.900   17.00000  -0.4114456     1.582560      
1 1 1 0  5  5  o 63.49837  0.2906566     1616.800   14.80000  3.329620       1.491150      
1 1 1 0  5  6  o 134.6937  0.5647597     7276.300   61.00000  -0.2410126     2.885262      
1 1 1 0  5  7  o 117.6789  0.5012375     5553.400   47.30000  1.201889       2.539952      
1 1 1 0  5  8  o 87.04716  0.3681795     3038.300   25.70000  6.951218       1.804829      
1 1 1 0  5  9  o 67.39409  0.3127130     1821.200   16.90000  -0.3352356E-01 1.643098      
1 1 1 0  5  10 f 57.26967  0.2656539     1315.100   12.20000  3.021126       1.464674      
1 1 1 0  5  11 o 72.87056  0.3525301     2129.300   20.60000  6.511787       1.738480      
1 1 1 0  5  12 o 44.46546  0.2467976     792.8000   8.800000  2.755203       1.221406      
1 1 1 0  5  13 o 9.302498  0.2144873     34.70000   1.600000  1.083133       1.138911      
1 1 1 0  5  14 o 6.432809  0.2907848     16.60000   1.500000  -0.1747036     1.446167      
1 1 1 0  5  15 o 28.50669  0.1881060     325.6000   4.300000  1.826836       0.9535698     
1 1 1 0  5  16 o 9.045829  0.2343590     32.80000   1.700000  -1.053627      0.9692963     
1 1 1 0  5  17 o 12.32514  0.2023574     60.90000   2.000000  2.498911       0.9758474     
1 1 1 0  5  18 o 4.441729  0.4851759     8.000000   1.700000  -0.6675425     2.423501      
1 1 1 0  6  0  o 57.51471  0.3816435     1326.600   17.60000  -0.000000      0.000000      
1 1 1 0  6  1  o 35.17486  0.1772633     496.1000   5.000000  1.317883       0.9479663     
1 1 1 0  6  2  o 66.20533  0.2957248     1757.600   15.70000  -2.901009      1.564900      
1 1 1 0  6  3  o 77.49002  0.3363424     2407.900   20.90000  3.306313       1.732091      
1 1 1 0  6  4  o 155.9618  0.6308700     9756.900   78.90000  0.3905029      3.288715      
1 1 1 0  6  5  o 37.17429  0.1912112     554.1000   5.700000  -2.631447      0.9556147     
1 1 1 0  6  6  o 60.72321  0.2813500     1478.500   13.70000  -0.2740631     1.444908      
1 1 1 0  6  7  o 51.08054  0.2465739     1046.200   10.10000  -0.1613617     1.256348      
1 1 1 0  6  8  o 80.14073  0.3594511     2575.300   23.10000  0.2482147      1.847117      
1 1 1 0  6  9  o 49.97236  0.2345736     1001.300   9.400000  -3.667824      1.167660      
1 1 1 0  6  10 o 25.58680  0.1608344     262.5000   3.300000  -0.7839088     0.8366915     
1 1 1 0  6  11 o 49.03232  0.2416141     964.0000   9.500000  0.2063446      1.332355      
1 1 1 0  6  12 o 29.21778  0.1877961     342.3000   4.400000  2.771282       0.9945226     
1 1 1 0  6  13 o 17.89428  0.1811925     128.4000   2.600000  0.4629478      0.9401795     
1 1 1 0  6  14 o 21.20332  0.1882033     180.4000   3.200000  -1.293579      0.9065199     
1 1 1 0  6  15 o 4.697053  0.4021185     8.900000   1.500000  -0.3037663     2.392086      
1 1 1 0  6  16 o 10.74698  0.2204693     46.30000   1.900000  0.7305565      1.134137      
1 1 1 0  6  17 o 2.820512  0.7417388     3.300000   1.700000  -1.458641      2.554660      
1 1 1 0  6  18 x ?         ?             ?          ?         0.1023395      2.285015      
1 1 1 0  7  0  o 65.23586  0.4186770     1706.700   21.90000  0.000000       0.000000      
1 1 1 0  7  1  o 87.63609  0.3799351     3079.800   26.70000  -1.991608      1.974766      
1 1 1 0  7  2  o 72.09112  0.3200155     2084.000   18.50000  -2.954758      1.654547      
1 1 1 0  7  3  o 29.79679  0.2385539     356.0000   5.700000  2.765812       0.9928514     
1 1 1 0  7  4  o 176.7845  0.7103401     12535.50   100.7000  -0.5942078     3.729417      
1 1 1 0  7  5  o 114.1665  0.4751510     5226.700   43.50000  1.513031       2.497943      
1 1 1 0  7  6  o 124.2687  0.5268397     6192.700   52.50000  3.135529       2.686401      
1 1 1 0  7  7  o 108.7260  0.6755587     4741.000   58.90000  0.000000       2.015378      
1 1 1 0  7  8  o 149.1051  0.6255906     8916.300   74.80000  1.751358       3.174401      
1 1 1 0  7  9  o 136.4106  0.5741068     7462.600   62.80000  0.7766724      2.922908      
1 1 1 0  7  10 f 41.15715  0.2181566     679.2000   7.200000  -1.275856      1.059686      
1 1 1 0  7  11 o 20.60288  0.1634244     170.2000   2.700000  -0.3215408E-01 1.013425      
1 1 1 0  7  12 o 13.54816  0.1656812     73.60000   1.800000  0.7393551      0.9798879     
1 1 1 0  7  13 o 7.270509  0.2058247     21.20000   1.200000  1.770520       1.404991      
1 1 1 0  7  14 o 10.45834  0.2384780     43.80000   2.000000  1.055880       1.179483      
1 1 1 0  7  15 o 4.051178  0.5698310     6.700000   1.800000  0.3844748      2.413183      
1 1 1 0  7  16 o 8.100047  0.2771188     26.30000   1.800000  -1.907113      1.573175      
1 1 1 0  7  17 o 6.227069  0.3823464     15.60000   1.900000  -3.457140      2.488664      
1 1 1 0  7  18 x ?         ?             ?          ?         1.385066       1.364551      
1 1 1 0  8  0  o 30.68847  0.2641749     377.7000   6.500000  0.000000       0.000000      
1 1 1 0  8  1  o 79.32063  0.3553067     2522.900   22.60000  1.450935       1.871733      
1 1 1 0  8  2  o 119.3663  0.5014649     5713.800   48.00000  0.1022339      2.630969      
1 1 1 0  8  3  o 74.63355  0.3291647     2233.500   19.70000  0.7416992      1.698307      
1 1 1 0  8  4  o 150.4425  0.6142269     9076.600   74.10000  0.1523132      3.231663      
1 1 1 0  8  5  o 76.48032  0.3407828     2345.400   20.90000  1.744675       1.806295      
1 1 1 0  8  6  o 88.58552  0.3941635     3146.700   28.00000  -0.7823334     1.986432      
1 1 1 0  8  7  o 86.65131  0.3856921     3010.800   26.80000  0.9529114E-01  1.971657      
1 1 1 0  8  8  o 126.2319  0.5403799     6390.300   54.70000  1.283997       2.753568      
1 1 1 0  8  9  o 146.2901  0.6171699     8583.500   72.40000  -1.446182      3.145153      
1 1 1 0  8  10 o 34.69276  0.2012937     482.6000   5.600000  -1.499733      0.9872061     
1 1 1 0  8  11 o 25.04936  0.1792202     251.6000   3.600000  -0.1945992     0.8947690     
1 1 1 0  8  12 o 17.69094  0.1621280     125.5000   2.300000  1.450352       1.050305      
1 1 1 0  8  13 o 9.282718  0.2015103     34.70000   1.500000  0.6884193E-01  1.097586      
1 1 1 0  8  14 o 5.395123  0.3016939     11.70000   1.300000  0.7777262      1.859941      
1 1 1 0  8  15 o 3.435220  0.7130734     4.900000   1.900000  -0.5515766     2.652713      
1 1 1 0  8  16 o 8.342941  0.3138927     27.90000   2.100000  0.4223347      1.581327      
1 1 1 0  8  17 x ?         ?             ?          ?         0.4691925      2.822082      
1 1 1 0  9  0  o 28.05251  0.3691109     315.7000   8.300000  -0.000000      0.000000      
1 1 1 0  9  1  o 50.90178  0.2768385     1038.900   11.30000  0.3675079E-01  1.474838      
1 1 1 0  9  2  o 49.11664  0.2462772     967.3000   9.700000  0.5608215      1.292957      
1 1 1 0  9  3  o 73.51069  0.3392818     2166.800   20.00000  4.502998       2.013542      
1 1 1 0  9  4  o 51.31910  0.2527175     1056.000   10.40000  3.278847       1.319961      
1 1 1 0  9  5  o 15.12291  0.1814130     91.70000   2.200000  3.244381       0.9524019     
1 1 1 0  9  6  o 48.54962  0.2388791     945.1000   9.300000  0.3996658      1.267997      
1 1 1 0  9  7  o 5.875038  0.3841856     13.90000   1.800000  1.498678       2.323634      
1 1 1 0  9  8  o 84.65685  0.3859404     2873.900   26.20000  0.3060913      1.973105      
1 1 1 0  9  9  o 92.91141  0.4898971     3462.200   36.50000  -3.186295      2.370251      
1 1 1 0  9  10 f 59.78129  0.3170731     1433.200   15.20000  -1.030182      1.575903      
1 1 1 0  9  11 o 13.41816  0.1858737     72.20000   2.000000  2.017212       0.9286997     
1 1 1 0  9  12 o 17.35749  0.1796115     120.9000   2.500000  -0.4260864     0.8683943     
1 1 1 0  9  13 o 22.16919  0.1743785     197.0000   3.100000  1.841789       1.063192      
1 1 1 0  9  14 o 3.302933  0.5878817     4.500000   1.500000  2.486957       2.327882      
1 1 1 0  9  15 o 12.91812  0.2123756     66.90000   2.200000  -2.172661      1.288886      
1 1 1 0  9  16 o 2.418778  0.8782569     1.900000   2.200000  2.729191       2.800790      
1 1 1 0  9  17 x ?         ?             ?          ?         -2.338104      2.686067      
1 1 1 0  10 0  o 35.75804  0.3104353     512.8000   8.900000  -0.000000      0.000000      
1 1 1 0  10 1  o 11.78624  0.2327707     55.70000   2.200000  0.2846737      1.326729      
1 1 1 0  10 2  o 99.04188  0.4268369     3933.500   33.90000  3.809418       2.265817      
1 1 1 0  10 3  f 47.66567  0.2485415     911.0000   9.500000  -1.106865      1.271288      
1 1 1 0  10 4  o 19.96358  0.1873975     159.8000   3.000000  -1.417927      1.101891      
1 1 1 0  10 5  o 76.17881  0.3437686     2327.000   21.00000  -1.769829      1.816055      
1 1 1 0  10 6  o 35.21736  0.2053772     497.3000   5.800000  -0.5163765     1.100208      
1 1 1 0  10 7  o 34.21874  0.2077265     469.5000   5.700000  -1.535591      1.086195      
1 1 1 0  10 8  o 85.76231  0.3984145     2949.700   27.40000  -0.3934631     2.049208      
1 1 1 0  10 9  x ?         ?             ?          ?         ?              ?             
1 1 1 0  10 10 o 17.59874  0.1913213     124.2000   2.700000  -0.3374996     0.9702798     
1 1 1 0  10 11 o 3.903856  0.5936985     6.300000   1.800000  0.2902756      2.172408      
1 1 1 0  10 12 o 10.38326  0.2402024     43.20000   2.000000  0.8288422      1.172837      
1 1 1 0  10 13 o 5.222080  0.4337693     11.00000   1.800000  -0.1757655     2.497144      
1 1 1 0  10 14 o 3.794829  0.5768091     5.900000   1.700000  1.535549       2.775229      
1 1 1 0  10 15 o 6.938897  0.3055200     19.30000   1.700000  2.461335       1.862538      
1 1 1 0  10 16 x ?         ?             ?          ?         -1.013109      2.106696      
1 1 1 0  11 0  o 16.51589  0.3249579     109.5000   4.300000  -0.000000      0.000000      
1 1 1 0  11 1  o 62.09737  0.3012306     1546.200   15.00000  1.837456       1.550855      
1 1 1 0  11 2  x ?         ?             ?          ?         ?              ?             
1 1 1 0  11 3  o 79.61031  1.049510      2543.500   67.00000  0.000000       2.408233      
1 1 1 0  11 4  o 29.39675  0.1993791     346.5000   4.700000  -0.7519150E-01 1.037950      
1 1 1 0  11 5  o 19.48935  0.1919574     152.3000   3.000000  -0.9325905     1.125390      
1 1 1 0  11 6  o 16.38132  0.2131524     107.6000   2.800000  -0.3477936     1.068898      
1 1 1 0  11 7  o 28.70073  0.2085592     330.3000   4.800000  -0.9658318     1.069038      
1 1 1 0  11 8  o 19.13983  0.2150091     146.9000   3.300000  -2.408163      1.106260      
1 1 1 0  11 9  o 8.662139  0.3023258     30.10000   2.100000  -1.845912      1.546516      
1 1 1 0  11 10 f 5.296654  0.5003498     11.50000   2.100000  1.074224       2.394621      
1 1 1 0  11 11 o 3.512176  0.6991986     5.100000   1.900000  -0.3251362E-01 2.698496      
1 1 1 0  11 12 o 10.61925  0.2583509     45.20000   2.200000  -0.1541519E-01 1.306287      
1 1 1 0  11 13 o 1.696751  0.7305601     -0.2000000 1.800000  -0.9391882     2.191537      
1 1 1 0  11 14 o 3.287501  0.7387289     4.500000   1.900000  4.715377       2.290692      
1 1 1 0  11 15 x ?         ?             ?          ?         -0.9856906     2.577196      
1 1 1 0  12 0  o 77.01369  0.5052540     2378.700   31.20000  0.000000       0.000000      
1 1 1 0  12 1  o 22.91789  0.2067712     210.6000   3.800000  -2.223396      1.083548      
1 1 1 0  12 2  o 50.17546  0.2634484     1009.500   10.60000  0.7928467      1.381226      
1 1 1 0  12 3  o 15.82372  0.2206635     100.4000   2.800000  0.7624378      1.122950      
1 1 1 0  12 4  o 63.51421  0.3161084     1617.700   16.10000  0.8166275      1.644719      
1 1 1 0  12 5  o 25.36080  0.2065225     257.9000   4.200000  -1.267208      1.061553      
1 1 1 0  12 6  o 17.69798  0.2113872     125.6000   3.000000  -1.694349      1.179735      
1 1 1 0  12 7  o 30.15613  0.2191701     364.7000   5.300000  -2.171242      1.125514      
1 1 1 0  12 8  o 10.35081  0.2891464     43.00000   2.400000  -1.552008      1.567258      
1 1 1 0  12 9  o 17.30919  0.2233397     119.9000   3.100000  -0.6126785     1.110203      
1 1 1 0  12 10 o 7.931482  0.3458991     25.20000   2.200000  -1.730220      1.921346      
1 1 1 0  12 11 o 10.73626  0.2787657     46.20000   2.400000  -0.3503799E-02 1.582310      
1 1 1 0  12 12 o 7.176744  0.3836650     20.70000   2.200000  3.717801       2.221945      
1 1 1 0  12 13 o 6.461752  0.4073604     16.80000   2.100000  2.573398       2.074210      
1 1 1 0  12 14 x ?         ?             ?          ?         -0.6439114E-01 2.206407      
1 1 1 0  13 0  o 16.05576  0.3265163     103.5000   4.200000  -0.000000      0.000000      
1 1 1 0  13 1  o 13.04110  0.2581847     68.20000   2.700000  -0.7951374     1.346468      
1 1 1 0  13 2  o 38.27274  0.2411145     587.4000   7.400000  0.7304420      1.264500      
1 1 1 0  13 3  o 26.72912  0.2239431     286.5000   4.800000  0.7318840      1.089740      
1 1 1 0  13 4  o 29.06174  0.2188415     338.7000   5.100000  -0.2982483     1.096782      
1 1 1 0  13 5  o 16.24930  0.2302331     105.9000   3.000000  0.8207989      1.121355      
1 1 1 0  13 6  o 20.51847  0.2066403     168.9000   3.400000  -0.4853516     1.054317      
1 1 1 0  13 7  o 27.08717  0.2301906     292.7000   5.000000  -0.4566231     1.124249      
1 1 1 0  13 8  o 3.164745  0.8763314     4.100000   2.300000  -3.453540      3.032843      
1 1 1 0  13 9  o 11.09127  0.2923298     49.30000   2.600000  -0.2306747     1.431002      
1 1 1 0  13 10 o 2.449927  0.8798141     2.000000   2.200000  -0.4945517     2.745698      
1 1 1 0  13 11 o 3.156618  0.8771350     4.100000   2.300000  -1.785042      2.980815      
1 1 1 0  13 12 o 6.592669  0.4567899     17.50000   2.400000  0.1696815      2.083470      
1 1 1 0  13 13 x ?         ?             ?          ?         2.765257       2.528672      
1 1 1 0  14 0  o 1.637682  1.055135      0.000000   3.200000  0.000000       0.000000      
1 1 1 0  14 1  o 8.185168  0.3656493     26.90000   2.400000  4.791638       2.040778      
1 1 1 0  14 2  o 3.941776  0.7868382     6.500000   2.400000  1.123799       3.107366      
1 1 1 0  14 3  o 37.11382  0.2352033     553.2000   7.000000  0.6004105      1.235509      
1 1 1 0  14 4  o 3.154222  0.8773720     -0.2000000 2.300000  -1.523767      3.057328      
1 1 1 0  14 5  o 7.590296  0.4122821     23.10000   2.500000  2.003388       2.088156      
1 1 1 0  14 6  o 15.34794  0.2437543     94.40000   3.000000  -0.9756660     1.248168      
1 1 1 0  14 7  o 9.674062  0.3351549     37.50000   2.600000  1.861200       1.575776      
1 1 1 0  14 8  o 11.01185  0.3057626     48.60000   2.700000  1.423336       1.572723      
1 1 1 0  14 9  o 2.342901  0.9032952     1.400000   2.400000  -1.595055      2.913661      
1 1 1 0  14 10 o 8.935456  0.3628588     32.00000   2.600000  -0.3120623     2.391193      
1 1 1 0  14 11 o 3.305076  0.9130327     4.500000   2.500000  -0.8412886E-01 3.186724      
1 1 1 0  14 12 x ?         ?             ?          ?         5.185317       2.721003      
1 1 1 0  15 0  o 11.00935  0.4548497     48.80000   4.000000  -0.000000      0.000000      
1 1 1 0  15 1  f 11.03687  0.3050697     48.80000   2.700000  0.1580944      1.458000      
1 1 1 0  15 2  o 6.059634  0.5195107     14.80000   2.500000  -0.4489880     2.785525      
1 1 1 0  15 3  o 3.540771  0.8833815     5.200000   2.500000  -0.5437369     3.209388      
1 1 1 0  15 4  o 4.694189  0.6842630     9.000000   2.500000  -1.354014      3.164688      
1 1 1 0  15 5  o 13.89634  0.2692167     77.40000   3.000000  1.404013       1.421784      
1 1 1 0  15 6  o 11.12434  0.3026708     49.60000   2.700000  0.6188202E-01  1.518162      
1 1 1 0  15 7  o 6.376310  0.5329363     16.40000   2.700000  4.532550       3.029555      
1 1 1 0  15 8  o 10.15115  0.3562573     41.30000   2.900000  2.724502       1.974740      
1 1 1 0  15 9  o 7.693252  0.4559002     23.80000   2.800000  -0.2254591     2.299500      
1 1 1 0  15 10 x ?         ?             ?          ?         0.2741113      3.341294      
1 1 1 0  15 11 x ?         ?             ?          ?         -0.8315897     3.290310      
1 1 1 0  16 0  o 1.407155  0.9686059     -2.700000  3.600000  -0.000000      0.000000      
1 1 1 0  16 1  o 5.530576  0.6194373     12.40000   2.700000  0.1983390      3.239496      
1 1 1 0  16 2  o 4.978382  0.6681397     10.10000   2.600000  1.421352       3.281542      
1 1 1 0  16 3  o 7.902397  0.4436501     25.10000   2.800000  2.674220       2.329312      
1 1 1 0  16 4  o 6.155633  0.5528769     15.30000   2.700000  2.340081       2.934269      
1 1 1 0  16 5  o 3.197088  0.9691228     4.100000   2.700000  -3.815773      3.162695      
1 1 1 0  16 6  o 3.511420  0.9401632     5.100000   2.700000  -0.5459752     3.251257      
1 1 1 0  16 7  o 2.698582  0.9891326     2.300000   2.800000  -0.2992787     3.170558      
1 1 1 0  16 8  x ?         ?             ?          ?         -0.7119246     2.972262      
1 1 1 0  16 9  x ?         ?             ?          ?         -1.741277      2.952380      
1 1 1 0  17 0  o 4.734140  1.187679      10.50000   3.900000  0.000000       0.000000      
1 1 1 0  17 1  o 3.859644  0.9180475     6.200000   2.800000  -0.2394009E-01 3.441189      
1 1 1 0  17 2  o 3.830076  0.9490572     6.100000   2.900000  1.606839       3.475196      
1 1 1 0  17 3  o 2.937694  1.013796      3.100000   2.900000  -2.824365      3.241616      
1 1 1 0  17 4  o 2.530461  0.9880715     1.500000   2.900000  0.3215103      3.232796      
1 1 1 0  17 5  x ?         ?             ?          ?         -2.668728      3.173875      
1 1 1 0  17 6  x ?         ?             ?          ?         -1.482565      3.476515      
1 1 1 0  18 0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 0  18 1  x ?         ?             ?          ?         -1.196486      3.059707      
1 1 1 0  18 2  x ?         ?             ?          ?         -7.450274      3.044652      
1 1 1 1  1  0  x ?         ?             ?          ?         ?              ?             
1 1 1 1  1  1  x ?         ?             ?          ?         ?              ?             
1 1 1 1  1  2  o 120.2364  0.5901432     5797.600   56.90000  3.178024       3.201491      
1 1 1 1  1  3  o 118.3782  0.6194221     5619.900   58.80000  -8.229660      2.892235      
1 1 1 1  1  4  o 12.65382  0.9855061E-01 64.20000   1.000000  -0.8074417     0.5050058     
1 1 1 1  1  5  o 122.7842  0.5372721     6046.000   52.90000  -2.185455      2.420958      
1 1 1 1  1  6  o 50.85475  0.2403121     1037.000   9.800000  3.723061       1.134084      
1 1 1 1  1  7  o 108.8578  0.4364621     4752.300   38.10000  -2.479324      2.048337      
1 1 1 1  1  8  o 24.82494  0.1406536     247.1000   2.800000  4.621136       0.5713385     
1 1 1 1  1  9  o 44.42717  0.1936785     791.4000   6.900000  0.5215607      0.8631124     
1 1 1 1  1  10 o 38.62877  0.1840115     598.3000   5.700000  0.6900787E-02  0.8828693     
1 1 1 1  1  11 o 33.73101  0.1663659     456.2000   4.500000  -0.4039078     0.8209839     
1 1 1 1  1  12 o 20.35954  0.1347522     166.2000   2.200000  3.183460       0.6785836     
1 1 1 1  1  13 x ?         ?             ?          ?         ?              ?             
1 1 1 1  1  14 o 36.20493  0.1825531     525.6000   5.300000  3.592728       0.9989514     
1 1 1 1  1  15 o 4.040946  0.3426910     6.600000   1.100000  2.733356       1.954716      
1 1 1 1  1  16 o 19.53044  0.1468578     152.9000   2.300000  1.701250       0.8175386     
1 1 1 1  1  17 o 15.21420  0.1475382     92.80000   1.800000  2.888666       0.8830385     
1 1 1 1  1  18 o 6.938722  0.2695832     19.30000   1.500000  2.796919       2.049220      
1 1 1 1  1  19 x ?         ?             ?          ?         -3.278948      2.276173      
1 1 1 1  2  0  o 31.05694  0.2329192     386.8000   5.800000  0.000000       0.000000      
1 1 1 1  2  1  x ?         ?             ?          ?         ?              ?             
1 1 1 1  2  2  o 126.7665  0.5804017     6444.400   59.00000  -13.16922      2.771411      
1 1 1 1  2  3  o 38.87007  0.1957022     605.8000   6.100000  -2.153183      1.172645      
1 1 1 1  2  4  o 31.42265  0.1944619     395.9000   4.900000  -6.176937      0.8566127     
1 1 1 1  2  5  o 96.41994  0.4151636     3728.100   32.10000  -3.664215      2.264879      
1 1 1 1  2  6  o 112.4129  0.5158435     5068.200   46.50000  8.932999       2.747488      
1 1 1 1  2  7  o 157.6855  0.7054304     9974.900   89.20000  2.639938       3.344237      
1 1 1 1  2  8  o 22.55071  0.1548385     203.9000   2.800000  -2.902889      0.7006156     
1 1 1 1  2  9  o 11.28922  0.1325557     51.10000   1.200000  1.345339       0.6741950     
1 1 1 1  2  10 o 59.67744  0.2737425     1428.000   13.10000  0.4122238      1.330652      
1 1 1 1  2  11 o 46.39852  0.2230771     863.2000   8.300000  2.232445       1.091209      
1 1 1 1  2  12 o 37.01633  0.1920271     549.4000   5.700000  -0.1155930     0.9416590     
1 1 1 1  2  13 o 51.64426  0.3018346     1069.500   12.50000  3.192513       1.783289      
1 1 1 1  2  14 o 12.79069  0.1559937     65.60000   1.600000  0.7809143      0.7829445     
1 1 1 1  2  15 o 4.278615  0.3528999     7.400000   1.200000  0.9614835      1.731832      
1 1 1 1  2  16 o 24.57547  0.1573044     242.1000   3.100000  2.368793       0.7359482     
1 1 1 1  2  17 o 4.069038  0.4037425     6.700000   1.300000  2.583654       2.048347      
1 1 1 1  2  18 o 3.770487  0.5091255     5.800000   1.500000  -0.2662101     2.353715      
1 1 1 1  2  19 x ?         ?             ?          ?         -0.4498241     2.266195      
1 1 1 1  3  0  f 127.1783  0.7482151     6486.800   76.30000  0.000000       0.000000      
1 1 1 1  3  1  o 183.7331  0.8545144     13540.90   125.9000  -3.417419      3.849804      
1 1 1 1  3  2  o 109.0585  0.4596714     4769.400   40.20000  -2.736191      2.235413      
1 1 1 1  3  3  o 106.1192  0.4442003     4515.800   37.80000  -1.726379      2.331849      
1 1 1 1  3  4  o 121.4722  0.4979042     5917.400   48.50000  0.9954071      2.594633      
1 1 1 1  3  5  o 98.91203  0.4261364     3923.500   33.80000  3.894882       2.445982      
1 1 1 1  3  6  o 16.80995  0.1261141     113.3000   1.700000  1.993242       0.7031102     
1 1 1 1  3  7  o 15.24617  0.1145113     93.20000   1.400000  0.4365215      0.7261329     
1 1 1 1  3  8  o 30.54121  0.1878247     374.0000   4.600000  -1.432949      1.019139      
1 1 1 1  3  9  o 58.00747  0.2859228     1349.200   13.30000  2.325241       1.411676      
1 1 1 1  3  10 o 18.86530  0.1652560     142.7000   2.500000  -4.300468      0.8065886     
1 1 1 1  3  11 o 62.99072  0.3009180     1591.000   15.20000  2.431198       1.538908      
1 1 1 1  3  12 o 35.98789  0.2079103     519.3000   6.000000  0.8178711      1.000449      
1 1 1 1  3  13 o 12.34421  0.2020448     61.10000   2.000000  0.8839073      0.9026433     
1 1 1 1  3  14 o 11.45312  0.1850999     52.60000   1.700000  0.5874424      0.8366504     
1 1 1 1  3  15 o 19.27618  0.1617336     149.1000   2.500000  0.4424820      0.7438664     
1 1 1 1  3  16 o 7.591876  0.2463901     23.10000   1.500000  1.690707       1.232858      
1 1 1 1  3  17 o 2.000038  0.7450464     1.200000   1.600000  2.477950       2.108946      
1 1 1 1  3  18 o 4.660740  0.4888945     8.800000   1.800000  1.153146       2.228045      
1 1 1 1  3  19 x ?         ?             ?          ?         1.932429       1.279673      
1 1 1 1  4  0  o 18.08697  0.1655039     131.2000   2.400000  -0.000000      0.000000      
1 1 1 1  4  1  f 31.54548  0.1778920     399.0000   4.500000  3.816818       0.7622277     
1 1 1 1  4  2  o 86.18214  0.3689810     2978.300   25.50000  0.9949799      1.793269      
1 1 1 1  4  3  o 157.8025  0.6408968     9987.900   81.10000  1.543884       3.149101      
1 1 1 1  4  4  o 48.38708  0.2293727     938.8000   8.900000  -0.3655701     1.205627      
1 1 1 1  4  5  o 58.24454  0.2612075     1360.300   12.20000  2.757629       1.369566      
1 1 1 1  4  6  o 86.01271  0.3653583     2966.700   25.20000  8.956833       1.919910      
1 1 1 1  4  7  o 45.31335  0.2284194     823.3000   8.300000  1.368454       1.321913      
1 1 1 1  4  8  o 101.4812  0.4399249     4129.600   35.80000  -0.7797089     2.415571      
1 1 1 1  4  9  o 49.58898  0.2665642     986.0000   10.60000  -1.068176      1.467755      
1 1 1 1  4  10 o 45.90113  0.2526624     844.8000   9.300000  0.4510040      1.264026      
1 1 1 1  4  11 o 32.34941  0.2043104     419.6000   5.300000  2.996708       1.013109      
1 1 1 1  4  12 o 39.39524  0.2310788     622.3000   7.300000  1.390949       1.134156      
1 1 1 1  4  13 o 8.235998  0.2422617     27.20000   1.600000  0.3880062      1.204970      
1 1 1 1  4  14 o 11.32139  0.1872536     51.40000   1.700000  0.5138130      1.047160      
1 1 1 1  4  15 o 6.018907  0.3327923     14.50000   1.600000  -1.261410      2.198490      
1 1 1 1  4  16 o 5.392324  0.3487616     11.70000   1.500000  0.1235323      1.651972      
1 1 1 1  4  17 o 4.300668  0.4716852     7.500000   1.600000  0.3284526      2.423546      
1 1 1 1  4  18 o 6.405395  0.3714994     16.50000   1.900000  0.7564087      1.735891      
1 1 1 1  4  19 x ?         ?             ?          ?         2.925049       2.527072      
1 1 1 1  5  0  o 155.6264  0.8999327     9715.600   112.3000  0.000000       0.000000      
1 1 1 1  5  1  o 131.4577  0.5435627     6930.900   57.30000  2.440231       2.448852      
1 1 1 1  5  2  o 28.97387  0.1592488     336.6000   3.700000  -2.044899      0.7966257     
1 1 1 1  5  3  o 71.64647  0.3167799     2058.400   18.20000  3.273026       1.525642      
1 1 1 1  5  4  o 66.33335  0.2951540     1764.400   15.70000  3.949150       1.573599      
1 1 1 1  5  5  o 92.66226  0.3916257     3443.200   29.10000  -3.631241      2.086688      
1 1 1 1  5  6  o 87.82444  0.3720206     3092.900   26.20000  0.6175995      1.958000      
1 1 1 1  5  7  o 133.4183  0.5617462     7138.400   60.10000  -1.157227      2.841555      
1 1 1 1  5  8  o 64.90607  0.2978019     1689.200   15.50000  3.172302       1.520563      
1 1 1 1  5  9  o 15.01539  0.1494916     90.40000   1.800000  -1.798279      0.8901075     
1 1 1 1  5  10 o 65.14330  0.3043746     1701.600   15.90000  -0.6173859     1.833641      
1 1 1 1  5  11 o 35.97399  0.2149236     518.9000   6.200000  1.406147       1.062126      
1 1 1 1  5  12 o 28.46553  0.1971398     324.9000   4.500000  1.147549       0.9840931     
1 1 1 1  5  13 o 19.56547  0.1848370     153.5000   2.900000  3.878353       0.9182473     
1 1 1 1  5  14 o 14.90475  0.1757016     89.10000   2.100000  1.125345       0.9228695     
1 1 1 1  5  15 o 6.777515  0.2943951     18.40000   1.600000  1.128653       1.609809      
1 1 1 1  5  16 o 9.476714  0.2368622     36.00000   1.800000  0.9281168      1.325356      
1 1 1 1  5  17 o 6.522598  0.3453685     17.10000   1.800000  -2.064266      1.884829      
1 1 1 1  5  18 x ?         ?             ?          ?         1.492279       1.079670      
1 1 1 1  6  0  o 43.98878  0.3090394     776.0000   10.90000  -0.000000      0.000000      
1 1 1 1  6  1  o 31.96546  0.1716535     409.7000   4.400000  -1.252361      0.8568948     
1 1 1 1  6  2  o 83.66787  0.3651644     2807.200   24.50000  2.397156       1.777438      
1 1 1 1  6  3  o 122.0741  0.5077079     5976.600   49.70000  0.4360657      2.508951      
1 1 1 1  6  4  o 115.7732  0.4804054     5375.200   44.60000  3.169266       2.352829      
1 1 1 1  6  5  o 71.92954  0.3155333     2074.600   18.20000  -0.9802704     1.634994      
1 1 1 1  6  6  o 46.60508  0.2247642     870.9000   8.400000  0.1010513      1.175686      
1 1 1 1  6  7  o 156.6940  0.6311053     9846.700   79.30000  -0.5976257     3.320926      
1 1 1 1  6  8  o 62.81665  0.2918258     1582.200   14.70000  -0.5266953     1.480928      
1 1 1 1  6  9  o 50.94096  0.2521455     1040.500   10.30000  0.1559372      1.264438      
1 1 1 1  6  10 o 64.06811  0.2939112     1645.900   15.10000  -1.863838      1.431169      
1 1 1 1  6  11 o 33.94056  0.2131033     461.9000   5.800000  1.532768       1.254749      
1 1 1 1  6  12 o 22.89036  0.1961241     210.1000   3.600000  -0.7838173     0.9862816     
1 1 1 1  6  13 o 4.018366  0.5413463     6.600000   1.700000  -2.017697      2.625384      
1 1 1 1  6  14 o ?         ?             84.20000   2.400000  0.6361980      1.009453      
1 1 1 1  6  15 o 11.06797  0.2366097     49.10000   2.100000  0.3016758      1.152763      
1 1 1 1  6  16 o 3.922359  0.5905913     6.300000   1.800000  1.376964       2.753155      
1 1 1 1  6  17 o 2.540305  0.8195220     2.500000   1.900000  -2.439079      2.532890      
1 1 1 1  6  18 x ?         ?             ?          ?         -0.9022713E-02 1.569086      
1 1 1 1  7  0  o 10.81516  0.2887277     47.00000   2.500000  -0.000000      0.000000      
1 1 1 1  7  1  o 177.0568  0.7120651     12574.90   101.1000  0.6740112      3.465820      
1 1 1 1  7  2  o 57.63617  0.2682920     1332.000   12.40000  -1.123848      1.321113      
1 1 1 1  7  3  o 63.79144  0.2932310     1631.700   15.00000  2.935715       1.425714      
1 1 1 1  7  4  o 57.03623  0.2733004     1304.400   12.50000  -2.352531      1.355497      
1 1 1 1  7  5  o 33.10029  0.1883733     439.3000   5.000000  0.1245880      1.022903      
1 1 1 1  7  6  o 69.46249  0.3123777     1934.700   17.40000  -0.1578674     1.659172      
1 1 1 1  7  7  o 90.74505  0.3930286     3302.000   28.60000  -2.144867      2.055639      
1 1 1 1  7  8  o 80.74148  0.3660435     2614.100   23.70000  -1.620789      1.851087      
1 1 1 1  7  9  o 70.76675  0.3312910     2008.100   18.80000  2.820526       1.677576      
1 1 1 1  7  10 f 96.61967  0.4349561     3743.700   33.70000  -0.7176819     2.219255      
1 1 1 1  7  11 o 40.66875  0.2207765     663.2000   7.200000  -1.145798      1.080924      
1 1 1 1  7  12 o 5.226070  0.3358456     11.00000   1.400000  0.3348880      2.379566      
1 1 1 1  7  13 o 23.04317  0.1785882     213.0000   3.300000  1.669109       0.9794433     
1 1 1 1  7  14 o 6.905944  0.3430928     19.10000   1.900000  0.5159178      1.879080      
1 1 1 1  7  15 o 19.66987  0.2092153     155.1000   3.300000  0.9699268      1.036147      
1 1 1 1  7  16 o 5.722551  0.4391845     13.20000   2.000000  0.9141874      2.378972      
1 1 1 1  7  17 o 2.582214  0.8631520     2.500000   2.100000  0.3718762      2.936780      
1 1 1 1  8  0  o 46.91089  0.3296684     882.5000   12.40000  0.000000       0.000000      
1 1 1 1  8  1  o 76.56984  0.3403844     2350.900   20.90000  1.746376       1.663674      
1 1 1 1  8  2  o 96.94595  0.4154837     3768.700   32.30000  0.4191742      2.045753      
1 1 1 1  8  3  o 56.90947  0.2673354     1298.600   12.20000  -1.784866      1.303251      
1 1 1 1  8  4  o 48.09041  0.2411602     927.3000   9.300000  4.061401       1.204179      
1 1 1 1  8  5  o 72.17637  0.3835651     2088.900   22.20000  -0.4781418     1.753400      
1 1 1 1  8  6  o 96.48293  0.4446201     3732.900   34.40000  -2.995514      2.198628      
1 1 1 1  8  7  o 65.93294  0.3007293     1743.100   15.90000  -0.2768631     1.575109      
1 1 1 1  8  8  o 72.15894  0.3387249     2087.900   19.60000  0.1188354      1.722207      
1 1 1 1  8  9  o 84.60034  0.3861982     2870.100   26.20000  1.247391       1.943054      
1 1 1 1  8  10 o 49.52442  0.2643936     983.5000   10.50000  -0.7270355     1.351580      
1 1 1 1  8  11 o 28.76113  0.1907778     331.7000   4.400000  -0.6174355     0.9749314     
1 1 1 1  8  12 o 9.797215  0.2163851     38.50000   1.700000  -0.6081524     1.009169      
1 1 1 1  8  13 o 16.12615  0.1855930     104.2000   2.400000  0.3650150      1.056785      
1 1 1 1  8  14 o 15.09146  0.1900543     91.30000   2.300000  0.4660950      1.140799      
1 1 1 1  8  15 o 5.806662  0.4766790     13.60000   2.200000  1.138532       2.615440      
1 1 1 1  8  16 o 8.402695  0.3413425     28.30000   2.300000  1.381883       1.811309      
1 1 1 1  8  17 x ?         ?             ?          ?         1.972581       2.816106      
1 1 1 1  9  0  o 117.6855  0.7524131     5554.700   71.00000  0.000000       0.000000      
1 1 1 1  9  1  o 61.87872  0.2902032     1535.300   14.40000  1.671440       1.507567      
1 1 1 1  9  2  o 75.10141  0.3403979     2261.600   20.50000  -1.707458      1.666666      
1 1 1 1  9  3  o 85.32030  0.3814777     2919.000   26.10000  0.2205658      1.902454      
1 1 1 1  9  4  f 80.78803  0.3596582     2617.100   23.30000  0.1158142E-01  1.760686      
1 1 1 1  9  5  o 42.15405  0.2366637     712.5000   8.000000  2.965088       1.079567      
1 1 1 1  9  6  o 54.42717  0.2634894     1187.800   11.50000  0.4508133      1.299802      
1 1 1 1  9  7  o 28.88331  0.1856533     334.5000   4.300000  0.7824326      0.9870140     
1 1 1 1  9  8  o 105.9864  0.4541698     4504.900   38.60000  0.9760284      2.365347      
1 1 1 1  9  9  o 106.4681  1.082265      4553.600   92.40000  0.000000       3.009861      
1 1 1 1  9  10 o 12.91637  0.2124043     66.90000   2.200000  -0.1576538     1.118305      
1 1 1 1  9  11 o 8.747952  0.2708496     30.70000   1.900000  2.151966       1.294841      
1 1 1 1  9  12 o 4.784344  0.4483345     9.200000   1.700000  -0.3745008     2.144668      
1 1 1 1  9  13 o 10.70086  0.2097660     45.90000   1.800000  -0.9476910     0.9556990     
1 1 1 1  9  14 o 14.65515  0.2042218     86.10000   2.400000  0.3206253E-02  1.191394      
1 1 1 1  9  15 o 3.297017  0.6281090     4.500000   1.600000  3.641580       2.911339      
1 1 1 1  9  16 x ?         ?             ?          ?         4.166516       2.684456      
1 1 1 1  10 0  o 32.89206  0.2957765     433.9000   7.800000  -0.000000      0.000000      
1 1 1 1  10 1  o 50.72002  0.2655372     1031.500   10.80000  1.139763       1.389771      
1 1 1 1  10 2  o 133.3266  0.5611972     7128.900   60.00000  0.3943329      2.742782      
1 1 1 1  10 3  o 67.42122  0.3181361     1822.700   17.20000  0.6526566      1.539796      
1 1 1 1  10 4  o 93.24897  0.4252694     3486.900   31.80000  -0.4455566     2.289023      
1 1 1 1  10 5  o 18.89820  0.1847646     143.2000   2.800000  -4.626486      0.9287822     
1 1 1 1  10 6  o 17.11854  0.1894034     117.5000   2.600000  1.402788       0.9652694     
1 1 1 1  10 7  o 74.66511  0.3473975     2235.600   20.80000  1.281036       1.740709      
1 1 1 1  10 8  x ?         ?             ?          ?         ?              ?             
1 1 1 1  10 9  o 25.01349  0.2044046     250.9000   4.100000  0.1166916      1.031952      
1 1 1 1  10 10 o 21.65031  0.1900776     188.0000   3.300000  -1.422825      0.9635815     
1 1 1 1  10 11 o 12.42455  0.2308492     61.80000   2.300000  -1.817356      1.177006      
1 1 1 1  10 12 o 5.386816  0.4437975     11.70000   1.900000  -0.6660480     2.297314      
1 1 1 1  10 13 o 8.161866  0.3055776     26.70000   2.000000  0.7896338      1.617312      
1 1 1 1  10 14 o 1.882991  0.7498821     0.7000000  1.700000  0.1552467      2.437673      
1 1 1 1  10 15 o 7.542016  0.3306920     22.80000   2.000000  2.458093       2.492527      
1 1 1 1  10 16 x ?         ?             ?          ?         -0.1370678     3.248994      
1 1 1 1  11 0  o 43.74642  0.3449727     767.5000   12.10000  0.000000       0.000000      
1 1 1 1  11 1  o 38.91771  0.2243013     607.3000   7.000000  -0.8104057     1.153387      
1 1 1 1  11 2  o 33.95903  0.2129873     462.4000   5.800000  2.600552       1.122573      
1 1 1 1  11 3  o 51.77310  0.2673621     1074.800   11.10000  -0.1241684     1.301780      
1 1 1 1  11 4  o 54.93933  0.2769220     1210.300   12.20000  0.6491318      1.350188      
1 1 1 1  11 5  o 26.98116  0.1987417     291.9000   4.300000  -2.034294      0.9833933     
1 1 1 1  11 6  o 29.11919  0.1969970     340.0000   4.600000  -1.284389      0.9692362     
1 1 1 1  11 7  o 53.77040  0.2829421     1159.500   12.20000  0.4459229      1.437319      
1 1 1 1  11 8  o 37.32087  0.2238742     558.6000   6.700000  0.7412643      1.094793      
1 1 1 1  11 9  o 17.35039  0.2084346     120.8000   2.900000  1.258871       1.008870      
1 1 1 1  11 10 o 11.52446  0.2488790     53.20000   2.300000  0.8878994      1.289559      
1 1 1 1  11 11 o 8.565625  0.3202910     29.40000   2.200000  -0.4016886     1.595207      
1 1 1 1  11 12 o 5.957793  0.4427204     14.30000   2.100000  3.959198       2.434916      
1 1 1 1  11 13 o 5.978340  0.4411628     14.40000   2.100000  -2.442620      2.301126      
1 1 1 1  11 14 o 1.358439  0.6449713     -2.400000  1.900000  -1.106510      2.209862      
1 1 1 1  11 15 x ?         ?             ?          ?         -1.009701      1.117403      
1 1 1 1  12 0  o 18.00294  0.3396899     130.1000   4.900000  0.000000       0.000000      
1 1 1 1  12 1  o 56.21821  0.3216415     1267.400   14.50000  3.270401       2.244990      
1 1 1 1  12 2  o 43.49496  0.2494373     758.6000   8.700000  -0.4594498     1.279913      
1 1 1 1  12 3  o 2.592486  0.9023832     2.400000   2.300000  -6.082309      2.812912      
1 1 1 1  12 4  o 30.82436  0.2144188     381.0000   5.300000  -1.330448      1.023032      
1 1 1 1  12 5  o 18.60458  0.2077891     138.8000   3.100000  -1.996334      0.9908960     
1 1 1 1  12 6  o 22.18072  0.1967767     197.3000   3.500000  -2.066566      0.9557003     
1 1 1 1  12 7  o 29.93958  0.2124250     359.6000   5.100000  0.8823471      1.039435      
1 1 1 1  12 8  o 2.125282  0.8375176     0.8000000  2.100000  -2.865555      2.886494      
1 1 1 1  12 9  o 2.741684  0.8815750     2.900000   2.200000  -0.1606984     2.903919      
1 1 1 1  12 10 f 4.863022  0.5753025     9.600000   2.200000  4.114126       2.365827      
1 1 1 1  12 11 o 5.913929  0.4677201     14.10000   2.200000  -0.2564449     2.359703      
1 1 1 1  12 12 o 1.565530  0.7422884     -3.100000  2.500000  0.3494415      2.998531      
1 1 1 1  12 13 o 6.743987  0.4275078     18.30000   2.300000  2.992805       2.209252      
1 1 1 1  12 14 x ?         ?             ?          ?         -0.6980605     2.472478      
1 1 1 1  13 0  o 8.692512  0.4913605     30.60000   3.400000  -0.000000      0.000000      
1 1 1 1  13 1  o 14.60963  0.2390011     85.60000   2.800000  0.1943855      1.286850      
1 1 1 1  13 2  o 30.14367  0.2151237     364.4000   5.200000  0.9954681      1.116213      
1 1 1 1  13 3  o 15.86890  0.2278937     101.0000   2.900000  -2.131966      1.159420      
1 1 1 1  13 4  o 17.09258  0.2261701     117.2000   3.100000  -0.6704273     1.179930      
1 1 1 1  13 5  o 10.30532  0.2904228     42.70000   2.400000  0.2185268      1.523187      
1 1 1 1  13 6  o 12.86123  0.2424034     66.20000   2.500000  -0.7131653     1.237347      
1 1 1 1  13 7  o 5.633573  0.5148156     12.80000   2.300000  -1.016069      2.615933      
1 1 1 1  13 8  o 4.674178  0.6296457     8.900000   2.300000  -0.2502155     2.682874      
1 1 1 1  13 9  o 11.11309  0.2917560     49.50000   2.600000  0.7958584      1.427258      
1 1 1 1  13 10 o 2.230040  0.8772267     1.100000   2.300000  -2.582608      2.600176      
1 1 1 1  13 11 o 3.960291  0.7834737     6.500000   2.400000  5.055274       2.530992      
1 1 1 1  13 12 x ?         ?             ?          ?         -1.259907      3.148161      
1 1 1 1  13 13 x ?         ?             ?          ?         0.9190097      3.131022      
1 1 1 1  14 0  o 23.54760  0.3125783     221.5000   5.900000  0.000000       0.000000      
1 1 1 1  14 1  f 13.25685  0.2727965     70.20000   2.900000  0.6424084      1.387701      
1 1 1 1  14 2  o 5.104643  0.6237118     10.50000   2.500000  5.599526       2.775410      
1 1 1 1  14 3  o 14.02598  0.2578373     78.80000   2.900000  0.6658554E-02  1.324653      
1 1 1 1  14 4  f 12.16624  0.2870006     59.30000   2.800000  -1.692110      1.452145      
1 1 1 1  14 5  o 21.21491  0.2174911     180.4000   3.700000  0.8834000      1.106946      
1 1 1 1  14 6  o 12.85171  0.2619895     66.20000   2.700000  0.5362091      1.279521      
1 1 1 1  14 7  o 2.870774  0.9205328     3.200000   2.400000  2.175553       2.825441      
1 1 1 1  14 8  o 2.593291  0.9202424     2.300000   2.400000  0.6519461      2.793985      
1 1 1 1  14 9  o 2.157961  0.9010369     0.3000000  2.600000  -0.2500749     2.877058      
1 1 1 1  14 10 o 13.87753  0.2785676     77.20000   3.100000  1.402170       1.364040      
1 1 1 1  14 11 x ?         ?             ?          ?         0.2262459      3.167669      
1 1 1 1  15 0  f 10.04626  0.4614990     40.70000   3.700000  0.000000       0.000000      
1 1 1 1  15 1  o 2.675643  0.9569253     2.400000   2.600000  2.185934       3.076080      
1 1 1 1  15 2  o 4.902277  0.6796746     9.800000   2.600000  1.626113       2.826152      
1 1 1 1  15 3  o 5.778771  0.5684271     13.50000   2.600000  -5.252250      2.720384      
1 1 1 1  15 4  o 3.798959  0.8427026     6.000000   2.500000  -1.610205      3.076557      
1 1 1 1  15 5  o 6.376449  0.5329243     16.40000   2.700000  -2.024623      2.806409      
1 1 1 1  15 6  o 6.609559  0.4941227     17.60000   2.600000  0.2655735      3.046171      
1 1 1 1  15 7  o 6.850380  0.4948370     18.90000   2.700000  3.202406       2.822005      
1 1 1 1  15 8  o 6.454123  0.5262657     16.80000   2.700000  1.239795       2.906424      
1 1 1 1  15 9  x ?         ?             ?          ?         -1.243653      3.286711      
1 1 1 1  15 10 x ?         ?             ?          ?         1.385678       3.046961      
1 1 1 1  16 0  o 10.87419  0.5071004     47.70000   4.400000  0.000000       0.000000      
1 1 1 1  16 1  o 4.784094  0.7830225     9.400000   2.900000  3.330001       3.343005      
1 1 1 1  16 2  o 3.982706  0.9256335     6.600000   2.900000  -0.8062649E-01 3.422892      
1 1 1 1  16 3  f 6.470795  0.5645378     16.90000   2.900000  4.476114       3.198905      
1 1 1 1  16 4  o 7.240569  0.4850478     21.10000   2.800000  2.082392       2.594000      
1 1 1 1  16 5  o 2.829617  1.010771      2.700000   2.900000  0.6559491      3.258655      
1 1 1 1  16 6  o 5.103422  0.6500816     10.60000   2.600000  1.388516       3.194017      
1 1 1 1  16 7  x ?         ?             ?          ?         -0.3905592     3.229891      
1 1 1 1  16 8  x ?         ?             ?          ?         0.1922112      2.553080      
1 1 1 1  17 0  x ?         ?             ?          ?         -0.000000      0.000000      
1 1 1 1  17 1  x ?         ?             ?          ?         0.8041143      3.338716      
1 1 1 1  17 2  x ?         ?             ?          ?         -0.8444314     3.445478      
1 1 1 1  17 3  x ?         ?             ?          ?         -0.7917614     3.605180      
1 1 1 1  17 4  x ?         ?             ?          ?         0.8581538      2.885450      
1 1 1 1  17 5  x ?         ?             ?          ?         2.243295       3.150770      
1 1 1 2  1  0  o 66.89177  0.4511991     1794.400   24.20000  0.000000       0.000000      
1 1 1 2  1  1  o 36.06084  0.2040315     521.4000   5.900000  -6.178902      1.092946      
1 1 1 2  1  2  o 178.2213  1.661125      12755.60   237.4000  0.000000       4.632185      
1 1 1 2  1  3  o 217.9072  1.404951      19060.30   245.5000  -2.663940      5.508999      
1 1 1 2  1  4  o 30.78936  0.1620095     380.1000   4.000000  -1.916283      0.8312235     
1 1 1 2  1  5  o 97.87450  0.4395726     3841.500   34.50000  -1.601578      2.186133      
1 1 1 2  1  6  o 96.90032  0.4362702     3765.600   33.90000  -0.1414642     1.999321      
1 1 1 2  1  7  o 69.71657  0.3273378     1949.000   18.30000  1.284294       1.488316      
1 1 1 2  1  8  o 72.62955  0.3279451     2115.200   19.10000  1.689217       1.571973      
1 1 1 2  1  9  o 155.0331  0.6467144     9639.200   80.40000  3.645111       3.094264      
1 1 1 2  1  10 o 76.15214  0.3209631     2325.300   19.60000  0.1995697      1.542395      
1 1 1 2  1  11 o 38.09562  0.1800399     581.9000   5.500000  4.797375       0.8398008     
1 1 1 2  1  12 o 17.92986  0.1669227     128.9000   2.400000  4.965509       0.6292252     
1 1 1 2  1  13 o 36.37326  0.2468489     530.5000   7.200000  1.884068       1.430905      
1 1 1 2  1  14 o 12.05808  0.1447874     58.30000   1.400000  1.102890       0.8994510     
1 1 1 2  1  15 o 16.63674  0.1424185     111.0000   1.900000  1.293415       0.8172025     
1 1 1 2  1  16 o 11.99752  0.1559125     57.70000   1.500000  0.8127193      1.008759      
1 1 1 2  1  17 o 2.947985  0.5705431     3.600000   1.300000  1.025094       2.280055      
1 1 1 2  1  18 o 8.475815  0.2206942     28.80000   1.500000  -0.2375650     1.391251      
1 1 1 2  1  19 x ?         ?             ?          ?         1.309395       2.374632      
1 1 1 2  2  0  o 25.90864  0.2166294     269.2000   4.500000  0.000000       0.000000      
1 1 1 2  2  1  o 50.34530  0.2452208     1016.300   9.900000  -1.066483      1.105921      
1 1 1 2  2  2  o 147.5771  0.6269977     8734.300   74.20000  4.587250       2.957452      
1 1 1 2  2  3  o 17.10418  0.1239446     117.3000   1.700000  2.634529       0.5735794     
1 1 1 2  2  4  o 76.50880  0.3341362     2347.200   20.50000  -3.877380      1.624218      
1 1 1 2  2  5  o 57.97025  0.2538387     1347.500   11.80000  -3.027657      1.268975      
1 1 1 2  2  6  o 27.27118  0.1463279     298.2000   3.200000  0.7823944E-01  0.8541309     
1 1 1 2  2  7  o 102.0037  0.4230011     4172.500   34.60000  4.334457       2.116241      
1 1 1 2  2  8  o 55.11483  0.2715150     1218.000   12.00000  1.053040       1.342248      
1 1 1 2  2  9  f 126.6450  0.5583111     6431.900   56.70000  2.283859       2.764619      
1 1 1 2  2  10 o 98.26245  0.4302225     3871.800   33.90000  -1.077805      2.185037      
1 1 1 2  2  11 o 34.76138  0.1865466     484.5000   5.200000  -0.9771309     0.9273540     
1 1 1 2  2  12 o 57.75924  0.2655613     1337.700   12.30000  0.8458481      1.307108      
1 1 1 2  2  13 o 35.66391  0.1958124     510.0000   5.600000  -0.7744217E-01 0.9560505     
1 1 1 2  2  14 o 16.09713  0.1471927     103.9000   1.900000  2.568813       0.7336526     
1 1 1 2  2  15 o 7.699612  0.2267463     23.80000   1.400000  0.1368475      1.250074      
1 1 1 2  2  16 o 8.222793  0.2274851     27.10000   1.500000  1.311175       1.281917      
1 1 1 2  2  17 o 9.290388  0.2281898     34.60000   1.700000  0.4346819      1.269963      
1 1 1 2  2  18 o 6.348530  0.3351183     16.20000   1.700000  -0.5995941E-01 1.882448      
1 1 1 2  2  19 x ?         ?             ?          ?         -2.823200      2.312614      
1 1 1 2  3  0  o 31.48987  0.2931073     397.7000   7.400000  -0.000000      0.000000      
1 1 1 2  3  1  o 58.81219  0.2735290     1386.900   12.90000  0.6535110      1.229945      
1 1 1 2  3  2  o 66.08787  0.3019113     1751.300   16.00000  -2.768394      1.376037      
1 1 1 2  3  3  o 61.30738  0.2786691     1507.100   13.70000  3.575188       1.270057      
1 1 1 2  3  4  o 98.43029  0.4180866     3885.300   33.00000  1.003830       2.046551      
1 1 1 2  3  5  o 66.47036  0.2945457     1771.700   15.70000  1.600876       1.530307      
1 1 1 2  3  6  o 101.0400  0.4220986     4094.100   34.20000  4.558441       2.056534      
1 1 1 2  3  7  o 94.50249  0.3945563     3581.200   29.90000  0.3329468E-01  2.224328      
1 1 1 2  3  8  o 96.11271  0.4164907     3704.200   32.10000  3.595581       2.275291      
1 1 1 2  3  9  o 109.1172  0.5039954     4774.600   44.10000  0.3356323      2.691565      
1 1 1 2  3  10 f 84.82706  0.4145680     2885.400   28.20000  -2.071793      2.236754      
1 1 1 2  3  11 f 66.88973  0.3467645     1794.100   18.60000  0.3103485      1.886258      
1 1 1 2  3  12 o 23.84084  0.1726130     227.9000   3.300000  0.2406769      0.9334038     
1 1 1 2  3  13 o 27.15158  0.1837156     295.6000   4.000000  0.6418839      0.8855364     
1 1 1 2  3  14 o 12.79014  0.1852506     65.60000   1.900000  2.767485       0.9506071     
1 1 1 2  3  15 o 15.84608  0.1652641     100.0000   2.100000  0.6754818      0.8086639     
1 1 1 2  3  16 o 14.25839  0.1749204     81.50000   2.000000  1.764992       0.8623843     
1 1 1 2  3  17 o 20.44021  0.1769269     167.5000   2.900000  2.061388       0.9034877     
1 1 1 2  3  18 o 6.598724  0.3413362     17.50000   1.800000  -1.009598      1.852706      
1 1 1 2  3  19 x ?         ?             ?          ?         -1.347959      2.437655      
1 1 1 2  4  0  o 45.52695  0.3122938     831.2000   11.40000  -0.000000      0.000000      
1 1 1 2  4  1  o 51.22876  0.2434261     1052.300   10.00000  -3.795433      1.089879      
1 1 1 2  4  2  o 66.27359  0.3010652     1761.200   16.00000  1.362137       1.362247      
1 1 1 2  4  3  o 19.81315  0.1321742     157.4000   2.100000  2.759575       0.5823770     
1 1 1 2  4  4  o 44.43207  0.2133036     791.6000   7.600000  -6.190765      1.071615      
1 1 1 2  4  5  o 100.1810  0.4232281     4024.800   34.00000  3.523819       2.075898      
1 1 1 2  4  6  o 189.9050  0.7334962     14466.30   111.7000  0.4925537E-01  3.698700      
1 1 1 2  4  7  o 77.95925  0.3391168     2437.000   21.20000  3.623917       1.917147      
1 1 1 2  4  8  o 112.3124  0.4630090     5058.200   41.70000  1.237274       2.618673      
1 1 1 2  4  9  o 27.48990  0.1678455     303.0000   3.700000  -3.042786      0.9705496     
1 1 1 2  4  10 o 44.86518  0.2529374     807.1000   9.100000  -0.3407364     1.361132      
1 1 1 2  4  11 o 22.55059  0.1824892     203.9000   3.300000  -1.306450      1.031079      
1 1 1 2  4  12 o 25.09438  0.1938069     252.5000   3.900000  3.338711       1.044127      
1 1 1 2  4  13 o 14.93161  0.1837372     89.40000   2.200000  -1.338562      0.9235079     
1 1 1 2  4  14 o 9.125093  0.2323233     33.40000   1.700000  0.3961258      1.180391      
1 1 1 2  4  15 o 11.76843  0.2013335     55.50000   1.900000  2.220196       1.048970      
1 1 1 2  4  16 o 3.927575  0.5552440     6.300000   1.700000  1.411091       2.575161      
1 1 1 2  4  17 o 5.833885  0.3869615     13.70000   1.800000  1.453139       2.150073      
1 1 1 2  4  18 o 4.049663  0.5700659     6.700000   1.800000  3.123293       2.419664      
1 1 1 2  5  0  o 46.24917  0.3209011     857.8000   11.90000  -0.000000      0.000000      
1 1 1 2  5  1  o 60.73023  0.2772107     1478.900   13.50000  -1.350212      1.232170      
1 1 1 2  5  2  o 11.30020  0.1324269     51.20000   1.200000  -4.010978      0.5990089     
1 1 1 2  5  3  o 57.28607  0.2677547     1315.900   12.30000  -1.906494      1.307181      
1 1 1 2  5  4  o 67.91084  0.3029884     1849.300   16.50000  2.575294       1.490533      
1 1 1 2  5  5  o 140.4928  0.5725147     7916.100   64.50000  1.117096       2.827639      
1 1 1 2  5  6  o 22.30612  0.1453551     199.5000   2.600000  0.5921745      0.7396978     
1 1 1 2  5  7  o 19.81950  0.1635919     157.5000   2.600000  2.522512       0.7944675     
1 1 1 2  5  8  o 46.48986  0.2280036     866.6000   8.500000  3.427437       1.354139      
1 1 1 2  5  9  o 28.44407  0.1709834     324.4000   3.900000  -4.552597      1.011924      
1 1 1 2  5  10 o 20.12537  0.1673019     162.4000   2.700000  1.521122       0.9837236     
1 1 1 2  5  11 f 21.97355  0.1929566     193.6000   3.400000  0.9660492      1.092617      
1 1 1 2  5  12 o 22.33907  0.1953818     200.1000   3.500000  1.858776       1.125450      
1 1 1 2  5  13 o 21.65799  0.1957680     188.1000   3.400000  2.803795       0.9612945     
1 1 1 2  5  14 o 16.83405  0.1926043     113.8000   2.600000  0.4087811      1.018599      
1 1 1 2  5  15 o 9.438079  0.2510447     35.70000   1.900000  2.741269       1.319878      
1 1 1 2  5  16 o 6.188218  0.3643413     15.40000   1.800000  0.7543306      2.014798      
1 1 1 2  5  17 o 7.975891  0.2970677     25.50000   1.900000  1.515278       1.934828      
1 1 1 2  5  18 x ?         ?             ?          ?         1.312607       1.196910      
1 1 1 2  6  0  o 111.6111  0.6648525     4996.300   59.50000  -0.000000      0.000000      
1 1 1 2  6  1  o 134.9328  0.5563653     7302.300   60.20000  2.759018       2.512664      
1 1 1 2  6  2  o 18.80569  0.1458863     141.8000   2.200000  1.394176       0.6773444     
1 1 1 2  6  3  o 103.1715  0.4339261     4268.500   35.90000  2.108719       2.154940      
1 1 1 2  6  4  o 116.0405  0.4803734     5399.800   44.70000  3.413391       2.328316      
1 1 1 2  6  5  o 42.86131  0.2153016     736.6000   7.400000  0.9719086      1.041460      
1 1 1 2  6  6  o 74.88894  0.3297073     2248.800   19.80000  -1.852264      1.605940      
1 1 1 2  6  7  o 40.53160  0.2092167     658.7000   6.800000  -0.5885162     1.018195      
1 1 1 2  6  8  o 79.63784  0.3523255     2543.100   22.50000  1.469475       1.733766      
1 1 1 2  6  9  o 49.47820  0.2343960     981.6000   9.300000  -0.4699860     1.276906      
1 1 1 2  6  10 o 25.87260  0.1831574     268.4000   3.800000  -1.797787      1.055446      
1 1 1 2  6  11 o 42.48320  0.2407009     723.7000   8.200000  -1.726059      1.352519      
1 1 1 2  6  12 o 48.31682  0.2710017     936.2000   10.50000  3.019630       1.563636      
1 1 1 2  6  13 o 12.13804  0.2362982     59.10000   2.300000  -1.862673      1.354121      
1 1 1 2  6  14 o 7.277019  0.3255976     21.20000   1.900000  2.533195       1.782260      
1 1 1 2  6  15 o 10.58393  0.2592131     44.90000   2.200000  89.31580       0.2045791E-01 
1 1 1 2  6  16 o 10.24816  0.2677058     42.10000   2.200000  0.3488388      1.385214      
1 1 1 2  6  17 o 5.564893  0.4751446     12.50000   2.100000  -1.229293      2.647480      
1 1 1 2  6  18 x ?         ?             ?          ?         -0.3058386     2.427842      
1 1 1 2  7  0  f 188.3507  1.070670      14230.90   161.7000  -0.000000      0.000000      
1 1 1 2  7  1  o 66.70959  0.3047055     1784.400   16.30000  1.932159       1.366587      
1 1 1 2  7  2  o 23.81479  0.1728018     227.4000   3.300000  0.6262131      0.8339880     
1 1 1 2  7  3  o 58.27341  0.2781980     1361.600   13.00000  -0.1445770E-01 1.371886      
1 1 1 2  7  4  o 153.0924  0.6231446     9399.200   76.50000  -2.027832      3.067814      
1 1 1 2  7  5  o 96.19982  0.4096320     3710.900   31.60000  1.826111       2.025951      
1 1 1 2  7  6  o 148.1883  0.6681712     8807.200   79.40000  3.324692       3.176764      
1 1 1 2  7  7  o 83.08141  0.3617381     2767.800   24.10000  1.358307       1.790071      
1 1 1 2  7  8  o 95.86072  0.4110811     3684.900   31.60000  5.216873       2.014328      
1 1 1 2  7  9  o 84.51427  0.3718361     2864.200   25.20000  1.925262       1.821191      
1 1 1 2  7  10 o 41.50659  0.2283377     690.8000   7.600000  -0.9390030     1.175084      
1 1 1 2  7  11 o 22.05806  0.1865639     195.1000   3.300000  3.072685       1.040157      
1 1 1 2  7  12 o 26.26252  0.1946832     276.6000   4.100000  2.338135       1.123747      
1 1 1 2  7  13 o 12.40493  0.1809503     61.50000   1.800000  -1.342104      1.317893      
1 1 1 2  7  14 o 6.326312  0.4162769     16.10000   2.100000  0.6912584      2.290168      
1 1 1 2  7  15 o 16.61743  0.2101238     110.7000   2.800000  -0.8999424     1.078932      
1 1 1 2  7  16 o 9.277345  0.3091614     34.50000   2.300000  3.488592       1.492638      
1 1 1 2  7  17 x ?         ?             ?          ?         -0.5974498     2.771635      
1 1 1 2  8  0  o 122.4185  0.7335024     6010.300   72.00000  0.000000       0.000000      
1 1 1 2  8  1  o 54.09196  0.2674277     1173.200   11.60000  -1.498131      1.198143      
1 1 1 2  8  2  o 96.29020  0.4234935     3717.900   32.70000  0.3324585      2.074271      
1 1 1 2  8  3  o 35.17508  0.1985336     496.1000   5.600000  -0.7929764     0.9765275     
1 1 1 2  8  4  o 46.05047  0.2355951     850.3000   8.700000  0.7443237E-01  1.157617      
1 1 1 2  8  5  o 74.35545  0.3303958     2216.900   19.70000  -0.9058914     1.634962      
1 1 1 2  8  6  o 46.51106  0.2386244     867.4000   8.900000  0.2650909      1.182988      
1 1 1 2  8  7  o 24.61294  0.1823980     242.9000   3.600000  0.2761497      0.8774165     
1 1 1 2  8  8  o 69.16433  0.3173303     1918.200   17.60000  3.053185       1.548410      
1 1 1 2  8  9  o 112.5386  0.5839698     5080.300   52.70000  -4.474091      2.895645      
1 1 1 2  8  10 o 25.26727  0.1924808     256.0000   3.900000  0.6096191      0.9037489     
1 1 1 2  8  11 o 6.791093  0.3121694     18.50000   1.700000  2.150392       1.800158      
1 1 1 2  8  12 o 13.03360  0.2104939     68.30000   2.200000  0.2872028      1.202935      
1 1 1 2  8  13 o 18.54128  0.1883213     137.8000   2.800000  -1.759336      1.127813      
1 1 1 2  8  14 o 9.568353  0.2345937     36.70000   1.800000  -0.7277899     1.929790      
1 1 1 2  8  15 o 5.783047  0.5009135     13.50000   2.300000  -1.176721      3.070297      
1 1 1 2  8  16 o 5.329724  0.5458519     11.50000   2.300000  0.7459497E-01  3.086167      
1 1 1 2  9  0  o 10.31107  0.3760552     42.80000   3.100000  0.000000       0.000000      
1 1 1 2  9  1  o 41.38395  0.2229877     686.7000   7.400000  0.7697525      1.099720      
1 1 1 2  9  2  o 102.9710  0.4698919     4251.900   38.80000  2.249191       2.294732      
1 1 1 2  9  3  o 98.69346  0.4296073     3905.900   34.00000  -1.357025      2.097219      
1 1 1 2  9  4  f 12.46498  0.2200959     62.30000   2.200000  0.9086666      1.181995      
1 1 1 2  9  5  o 36.44586  0.2155626     532.6000   6.300000  -2.108994      1.049900      
1 1 1 2  9  6  o 65.09879  0.3007515     1699.300   15.70000  -0.5114822     1.469721      
1 1 1 2  9  7  o 76.43234  0.3458914     2342.600   21.20000  0.8462906      1.698971      
1 1 1 2  9  8  o 53.85099  0.3172546     1162.900   13.70000  -0.1930008     1.655912      
1 1 1 2  9  9  o 30.98583  0.2052523     385.0000   5.100000  0.6887283      1.005035      
1 1 1 2  9  10 o 19.50718  0.1853893     152.6000   2.900000  1.166254       0.9083953     
1 1 1 2  9  11 o 12.06456  0.2170645     58.50000   2.100000  0.9646282      0.9934692     
1 1 1 2  9  12 o 7.691447  0.3080539     23.70000   1.900000  2.450294       1.405071      
1 1 1 2  9  13 o 2.470774  0.8208591     2.300000   1.900000  1.448765       3.063731      
1 1 1 2  9  14 o 7.099201  0.3337530     20.20000   1.900000  -2.172559      2.659544      
1 1 1 2  9  15 o 10.18680  0.2448348     41.60000   2.000000  0.5890293      1.561430      
1 1 1 2  9  16 x ?         ?             ?          ?         1.042659       3.063215      
1 1 1 2  10 0  o 64.46337  0.4314363     1666.500   22.30000  -0.000000      0.000000      
1 1 1 2  10 1  o 19.23170  0.2204664     148.3000   3.400000  -1.028372      1.074062      
1 1 1 2  10 2  o 76.12759  0.3505522     2323.900   21.40000  0.3506088      1.726869      
1 1 1 2  10 3  o 58.23400  0.2912349     1359.800   13.60000  0.9547348      1.410874      
1 1 1 2  10 4  o 59.25256  0.3051701     1407.800   14.50000  -0.5014877     1.450530      
1 1 1 2  10 5  o 36.02235  0.2111733     520.3000   6.100000  -1.232807      1.033760      
1 1 1 2  10 6  o 47.91239  0.2524672     920.5000   9.700000  -1.572800      1.231251      
1 1 1 2  10 7  o 45.93188  0.2470633     846.0000   9.100000  0.8924789      1.212287      
1 1 1 2  10 8  o 10.18477  0.2693720     41.60000   2.200000  -3.302668      1.454666      
1 1 1 2  10 9  o 13.36099  0.2240029     71.60000   2.400000  -0.7107658     1.104977      
1 1 1 2  10 10 o 8.150466  0.2907048     27.40000   1.900000  -1.224214      1.555545      
1 1 1 2  10 11 f 8.009572  0.3269573     25.70000   2.100000  0.9355640      1.502903      
1 1 1 2  10 12 o 6.347336  0.3749515     16.20000   1.900000  -1.608111      1.990326      
1 1 1 2  10 13 o 6.983999  0.3583204     19.60000   2.000000  -1.645606      1.579408      
1 1 1 2  10 14 f 4.759185  0.5610415     9.200000   2.100000  2.545722       2.579550      
1 1 1 2  10 15 x ?         ?             ?          ?         1.243502       2.516770      
1 1 1 2  11 0  o 81.25589  0.7506173     2648.800   48.90000  -0.000000      0.000000      
1 1 1 2  11 1  o 48.56672  0.2542012     945.8000   9.900000  -0.4015656     1.234002      
1 1 1 2  11 2  o 30.21225  0.2187630     366.0000   5.300000  -1.743511      1.105239      
1 1 1 2  11 3  o 54.21546  1.110977      1180.600   48.30000  ?              ?             
1 1 1 2  11 4  o 26.42998  0.2028863     280.1000   4.300000  -0.7944908     0.9927540     
1 1 1 2  11 5  o 48.71367  0.2611141     951.6000   10.20000  -0.5842285     1.279337      
1 1 1 2  11 6  o 16.04995  0.2175532     103.3000   2.800000  -2.854500      1.078394      
1 1 1 2  11 7  o 11.28715  0.2651601     51.10000   2.400000  0.3244152      1.357893      
1 1 1 2  11 8  o 9.573835  0.2865615     36.80000   2.200000  0.6055832E-03  1.475614      
1 1 1 2  11 9  o 17.97249  0.2012198     129.4000   2.900000  0.8312225      1.011294      
1 1 1 2  11 10 o 1.863303  0.7848855     0.1000000  2.000000  1.070296       2.618065      
1 1 1 2  11 11 o 4.937097  0.5928000     9.900000   2.300000  1.132356       2.914622      
1 1 1 2  11 12 o 2.331484  0.8726323     1.600000   2.200000  -0.3746934     2.564909      
1 1 1 2  11 13 o 5.719134  0.4842520     13.20000   2.200000  -0.8229609     2.604400      
1 1 1 2  11 14 x ?         ?             ?          ?         -0.1214314     1.803826      
1 1 1 2  12 0  o 29.95826  0.2997747     360.0000   7.200000  -0.000000      0.000000      
1 1 1 2  12 1  o 37.57274  0.2256925     566.1000   6.800000  0.8051414      1.179515      
1 1 1 2  12 2  o 25.55137  0.2049822     261.8000   4.200000  0.3452682E-01  0.9996111     
1 1 1 2  12 3  o 9.974092  0.3000675     39.90000   2.400000  2.549457       1.544138      
1 1 1 2  12 4  o 6.453007  0.4669542     16.80000   2.400000  1.099861       2.890890      
1 1 1 2  12 5  o 14.99595  0.2328440     90.20000   2.800000  -1.260027      1.088725      
1 1 1 2  12 6  o 6.324672  0.4565621     16.20000   2.300000  0.8494358      2.602151      
1 1 1 2  12 7  o 13.34729  0.2429188     71.30000   2.600000  -2.103846      1.194730      
1 1 1 2  12 8  o 18.60932  0.2077362     138.8000   3.100000  1.973978       1.053377      
1 1 1 2  12 9  o 12.71498  0.2549992     64.80000   2.600000  0.5876122      1.208232      
1 1 1 2  12 10 o 6.982599  0.3945189     19.60000   2.200000  -3.098225      2.128500      
1 1 1 2  12 11 o 6.554721  0.4595077     17.30000   2.400000  2.626596       2.591897      
1 1 1 2  12 12 o 3.635362  0.8097311     5.500000   2.300000  -2.294500      2.826472      
1 1 1 2  12 13 x ?         ?             ?          ?         6.847152       2.300798      
1 1 1 2  13 0  o 3.301482  1.322655      6.100000   3.400000  -0.000000      0.000000      
1 1 1 2  13 1  o 12.69713  0.2553577     64.70000   2.600000  -1.081007      1.343945      
1 1 1 2  13 2  o 13.51159  0.2491945     73.30000   2.700000  0.3992672      1.272468      
1 1 1 2  13 3  o 24.45228  0.2141958     240.7000   4.200000  -0.3742027     1.036516      
1 1 1 2  13 4  o 4.280916  0.6937366     7.400000   2.300000  -5.000844      2.714282      
1 1 1 2  13 5  o 2.848276  0.9212919     3.100000   2.400000  -0.7013741     2.997635      
1 1 1 2  13 6  o 7.350471  0.3916178     21.70000   2.300000  1.083593       1.910049      
1 1 1 2  13 7  o 15.37068  0.2352805     94.70000   2.900000  -0.6072044E-01 1.101094      
1 1 1 2  13 8  o 2.037935  0.8488963     0.3000000  2.300000  -1.050575      2.620798      
1 1 1 2  13 9  o 8.268666  0.3770384     27.40000   2.500000  1.764528       2.044429      
1 1 1 2  13 10 o 4.212718  0.7058095     7.300000   2.300000  -0.7408590     2.932885      
1 1 1 2  13 11 f 9.594971  0.3509144     36.90000   2.700000  -1.529963      1.785080      
1 1 1 2  13 12 x ?         ?             ?          ?         -0.9442968     2.999890      
1 1 1 2  14 0  o 12.45989  0.4012809     62.40000   4.000000  0.000000       0.000000      
1 1 1 2  14 1  o 9.662748  0.3484530     37.40000   2.700000  -0.5399141     1.772580      
1 1 1 2  14 2  o 3.673717  0.8915927     5.600000   2.600000  2.859965       3.104530      
1 1 1 2  14 3  o 9.557829  0.3522781     36.60000   2.700000  0.9760408      1.794545      
1 1 1 2  14 4  o 12.08149  0.2786919     58.50000   2.700000  -1.134872      1.412141      
1 1 1 2  14 5  o 2.352288  0.9177063     1.300000   2.500000  -3.033469      2.669729      
1 1 1 2  14 6  o 2.967463  0.9588136     3.400000   2.600000  -0.5443830     3.027275      
1 1 1 2  14 7  o 6.136775  0.5336537     15.20000   2.600000  1.350020       2.382805      
1 1 1 2  14 8  f 5.106607  0.6234492     10.60000   2.500000  0.1207929      3.049188      
1 1 1 2  14 9  o 4.112929  0.7866677     7.000000   2.500000  3.144682       2.895140      
1 1 1 2  14 10 x ?         ?             ?          ?         2.152566       3.074361      
1 1 1 2  15 0  o 2.293184  1.320732      2.600000   3.900000  -0.000000      0.000000      
1 1 1 2  15 1  o 10.17611  0.3553837     41.50000   2.900000  -0.7348919     1.813331      
1 1 1 2  15 2  o 8.781292  0.3976314     30.90000   2.800000  -0.6714754     2.316555      
1 1 1 2  15 3  f 4.378733  0.7684989     7.900000   2.600000  -0.4285827     3.319613      
1 1 1 2  15 4  o 7.047904  0.4986452     20.00000   2.800000  0.8692894      2.520574      
1 1 1 2  15 5  o 9.647129  0.3619437     37.30000   2.800000  -2.389550      1.856412      
1 1 1 2  15 6  o 3.859545  0.8905049     6.200000   2.700000  1.384105       3.256712      
1 1 1 2  15 7  o 9.530066  0.3794750     36.40000   2.900000  0.5029268      2.038120      
1 1 1 2  15 8  x ?         ?             ?          ?         -0.2449231     3.039792      
1 1 1 2  15 9  x ?         ?             ?          ?         1.071660       3.169719      
1 1 1 2  16 0  o 8.165521  0.6349854     27.20000   4.100000  -0.000000      0.000000      
1 1 1 2  16 1  o 2.777305  1.022962      2.400000   3.000000  -1.559736      2.887909      
1 1 1 2  16 2  f 5.384800  0.6872723     11.80000   2.900000  0.8342938      3.481211      
1 1 1 2  16 3  o 4.101629  0.9331346     7.000000   3.000000  1.492306       3.377192      
1 1 1 2  16 4  x ?         ?             ?          ?         0.6691122E-01  3.075058      
1 1 1 2  16 5  x ?         ?             ?          ?         3.352370       3.309256      
1 1 1 2  16 6  x ?         ?             ?          ?         0.3336415      3.059167      
1 1 1 2  17 0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 2  17 1  x ?         ?             ?          ?         0.3052557      2.654025      
1 1 1 3  1  0  x ?         ?             ?          ?         ?              ?             
1 1 1 3  1  1  o 55.55000  0.2671431     1237.300   11.90000  -2.828369      1.645057      
1 1 1 3  1  2  o 70.30086  0.3246172     1981.700   18.30000  2.922287       1.858653      
1 1 1 3  1  3  o 147.6697  0.6215379     8745.500   73.60000  1.473251       3.141020      
1 1 1 3  1  4  o 25.37149  0.1425388     258.1000   2.900000  3.006344       0.6835105     
1 1 1 3  1  5  o 64.01278  0.2961133     1643.100   15.20000  4.516479       1.399970      
1 1 1 3  1  6  o 19.47032  0.1280967     152.0000   2.000000  -2.492653      0.7388933     
1 1 1 3  1  7  o 25.05489  0.1493172     251.7000   3.000000  2.797806       0.8874095     
1 1 1 3  1  8  o 57.93200  0.2798375     1345.700   13.00000  3.806541       1.382781      
1 1 1 3  1  9  o 27.55788  0.1674314     304.5000   3.700000  3.045155       0.8079352     
1 1 1 3  1  10 o 85.67047  0.3813741     2943.000   26.20000  1.163300       1.921346      
1 1 1 3  1  11 o 29.24810  0.1790741     343.0000   4.200000  2.860577       0.8133962     
1 1 1 3  1  12 o 41.48013  0.2104452     689.9000   7.000000  2.592781       1.023799      
1 1 1 3  1  13 o 41.84171  0.2175678     702.0000   7.300000  4.738159       0.9796898     
1 1 1 3  1  14 o 36.78128  0.2000352     542.5000   5.900000  3.141521       1.123808      
1 1 1 3  1  15 o 24.57296  0.1623954     242.3000   3.200000  1.480007       0.9270495     
1 1 1 3  1  16 o 19.71366  0.1391671     155.8000   2.200000  -0.2811050     0.8678088     
1 1 1 3  1  17 o 1.423319  0.6042078     0.000000   1.200000  -1.632986      2.204587      
1 1 1 3  1  18 o 9.988576  0.1747856     40.00000   1.400000  1.651145       1.364030      
1 1 1 3  1  19 x ?         ?             ?          ?         1.221507       2.344211      
1 1 1 3  2  0  o 182.0796  1.115778      13299.50   162.9000  -0.000000      0.000000      
1 1 1 3  2  1  o 52.93372  0.2591441     1123.500   11.00000  1.927299       1.309121      
1 1 1 3  2  2  o 103.7832  0.4421829     4319.200   36.80000  -1.989914      2.141314      
1 1 1 3  2  3  o 9.356351  0.1199546     35.10000   0.9000000 1.942672       0.6058422     
1 1 1 3  2  4  o 68.11243  0.3039224     1860.300   16.60000  -1.360054      1.477218      
1 1 1 3  2  5  o 20.28585  0.1290943     165.0000   2.100000  -1.428003      0.5951823     
1 1 1 3  2  6  o 114.4248  0.4740785     5250.900   43.50000  5.660202       2.518429      
1 1 1 3  2  7  o 30.15501  0.1612821     364.6000   3.900000  -2.610687      0.8235714     
1 1 1 3  2  8  o 92.87900  0.3933971     3459.100   29.30000  1.306976       1.955332      
1 1 1 3  2  9  o 33.43391  0.1864936     448.2000   5.000000  -0.9487419     0.8101903     
1 1 1 3  2  10 f 106.0908  0.4596000     4513.400   39.10000  1.554642       2.026061      
1 1 1 3  2  11 f 44.38180  0.2388334     789.8000   8.500000  1.636703       1.341124      
1 1 1 3  2  12 o 13.28816  0.1876922     70.80000   2.000000  -1.170080      1.063612      
1 1 1 3  2  13 o 19.69924  0.1709210     155.6000   2.700000  -0.7506943E-01 0.9618848     
1 1 1 3  2  14 o 4.503842  0.3915333     8.200000   1.400000  4.592315       1.966636      
1 1 1 3  2  15 o 31.20376  0.1878330     387.0000   4.700000  2.679245       1.026112      
1 1 1 3  2  16 o 22.70141  0.1647971     206.6000   3.000000  1.365196       0.9289212     
1 1 1 3  2  17 o 3.340593  0.5810484     4.600000   1.500000  -0.3870130     2.490547      
1 1 1 3  2  18 o 10.51189  0.2016736     44.30000   1.700000  2.891621       1.342564      
1 1 1 3  2  19 x ?         ?             ?          ?         -1.634913      2.428247      
1 1 1 3  3  0  o 25.68629  0.2136486     264.6000   4.400000  -0.000000      0.000000      
1 1 1 3  3  1  o 7.044957  0.1416096     19.90000   0.8000000 3.166774       0.6852099     
1 1 1 3  3  2  o 37.83912  0.2010342     574.1000   6.100000  -0.6521721     0.9608429     
1 1 1 3  3  3  o 98.40282  0.4220052     3883.200   33.30000  -2.006134      2.092703      
1 1 1 3  3  4  o 141.0600  0.5808214     7981.300   65.70000  -9.447998      2.815012      
1 1 1 3  3  5  o 54.06118  0.2514328     1171.900   10.90000  -1.061836      1.240094      
1 1 1 3  3  6  o 131.2644  0.5358129     6910.200   56.40000  4.782806       2.623638      
1 1 1 3  3  7  o 171.5734  0.6897588     11806.50   94.90000  1.454468       3.394723      
1 1 1 3  3  8  o 99.82931  0.4184734     3996.200   33.50000  4.898605       2.076861      
1 1 1 3  3  9  o 120.9282  0.4980819     5864.200   48.30000  -0.6849670E-01 2.463487      
1 1 1 3  3  10 o 66.20104  0.3032789     1757.300   16.10000  -1.043655      1.449187      
1 1 1 3  3  11 o 26.53879  0.1926565     282.4000   4.100000  0.3369217      0.8934686     
1 1 1 3  3  12 o 27.26173  0.2012706     298.0000   4.400000  -0.9353752     1.085998      
1 1 1 3  3  13 f 9.275538  0.2285551     34.50000   1.700000  2.918688       1.436582      
1 1 1 3  3  14 o 13.22088  0.1886474     70.10000   2.000000  0.9360676      0.9268202     
1 1 1 3  3  15 o 15.97731  0.1873220     102.3000   2.400000  0.9240589      0.9995549     
1 1 1 3  3  16 o 7.591522  0.2628284     23.10000   1.600000  0.3706551E-01  1.627976      
1 1 1 3  3  17 o 11.47627  0.2064590     52.80000   1.900000  1.469614       1.158481      
1 1 1 3  3  18 o 1.925793  0.7700778     0.7000000  1.800000  -0.6605783     2.517742      
1 1 1 3  4  0  o 19.89174  0.2006587     158.7000   3.200000  0.000000       0.000000      
1 1 1 3  4  1  o 84.61752  0.3699087     2871.300   25.10000  -6.930618      1.679832      
1 1 1 3  4  2  o 46.14448  0.2297102     853.8000   8.500000  1.556152       1.055644      
1 1 1 3  4  3  o 78.14833  0.3446792     2449.000   21.60000  3.035583       1.547846      
1 1 1 3  4  4  o 29.05121  0.1674100     338.4000   3.900000  1.356426       0.7692974     
1 1 1 3  4  5  o 91.98130  0.3945250     3392.700   29.10000  1.333328       2.064929      
1 1 1 3  4  6  o 112.0809  0.4706412     5037.500   42.30000  2.285858       2.466131      
1 1 1 3  4  7  o 82.04449  0.3587102     2699.100   23.60000  2.256668       1.772783      
1 1 1 3  4  8  o 131.5684  0.5412097     6941.700   57.10000  6.564972       2.707959      
1 1 1 3  4  9  o 62.42034  0.2856873     1562.300   14.30000  3.884880       1.439247      
1 1 1 3  4  10 o 62.70909  0.2863605     1576.800   14.40000  2.868904       1.431358      
1 1 1 3  4  11 o 31.47794  0.2060052     397.3000   5.200000  1.368164       0.9295449     
1 1 1 3  4  12 o 32.08937  0.2215107     412.9000   5.700000  1.388714       1.051905      
1 1 1 3  4  13 f 21.73286  0.1950937     189.4000   3.400000  -0.6493263     1.121315      
1 1 1 3  4  14 o 9.173195  0.2582938     33.80000   1.900000  2.511692       1.411587      
1 1 1 3  4  15 o 10.61954  0.2231151     45.20000   1.900000  2.026209       1.253505      
1 1 1 3  4  16 o 7.944767  0.2825351     25.30000   1.800000  1.970432       1.596564      
1 1 1 3  4  17 f 11.19036  0.2451656     50.20000   2.200000  3.952032       1.568207      
1 1 1 3  4  18 x ?         ?             ?          ?         0.3451695      2.776829      
1 1 1 3  5  0  o 43.59862  0.3146676     762.3000   11.00000  -0.000000      0.000000      
1 1 1 3  5  1  o 68.20360  0.3108298     1865.300   17.00000  4.214226       1.399375      
1 1 1 3  5  2  o 92.34924  0.3997049     3420.000   29.60000  -0.4072113     1.778227      
1 1 1 3  5  3  o 73.68910  0.3316912     2177.400   19.60000  -0.4335938     1.520447      
1 1 1 3  5  4  o 117.1056  0.4919776     5499.500   46.20000  -2.498032      2.227709      
1 1 1 3  5  5  o 143.4355  0.5885903     8250.800   67.70000  -2.171021      2.896709      
1 1 1 3  5  6  o 84.78147  0.3706642     2882.200   25.20000  2.632385       1.988046      
1 1 1 3  5  7  o 15.35212  0.1543356     94.50000   1.900000  2.284353       0.8302079     
1 1 1 3  5  8  o 48.41074  0.2447164     939.7000   9.500000  2.698677       1.324562      
1 1 1 3  5  9  o 43.91301  0.2271840     773.2000   8.000000  -3.123459      1.124250      
1 1 1 3  5  10 o 10.48742  0.1783625     44.10000   1.500000  0.8162556      0.9098558     
1 1 1 3  5  11 f 34.79678  0.2006920     485.5000   5.600000  2.131981       0.9766673     
1 1 1 3  5  12 o 5.671923  0.1978761     12.90000   0.9000000 3.548417       1.109229      
1 1 1 3  5  13 o 11.04160  0.2371746     48.90000   2.100000  -0.1484871     1.114911      
1 1 1 3  5  14 o 2.149394  0.7922773     1.400000   1.800000  -0.6143112     2.533662      
1 1 1 3  5  15 o 10.72451  0.2558152     46.10000   2.200000  0.7659588      1.456285      
1 1 1 3  5  16 o 9.581470  0.2733180     36.80000   2.100000  1.907806       1.631696      
1 1 1 3  5  17 o 7.341029  0.3567331     21.60000   2.100000  1.685928       1.827803      
1 1 1 3  5  18 x ?         ?             ?          ?         0.4696667      2.694727      
1 1 1 3  6  0  o 68.73578  0.4427194     1894.700   24.40000  -0.000000      0.000000      
1 1 1 3  6  1  o 40.11082  0.2176294     645.1000   7.000000  1.083054       0.9502560     
1 1 1 3  6  2  o 56.61703  0.2687162     1285.300   12.20000  1.315704       1.240790      
1 1 1 3  6  3  f 48.31028  0.2348999     935.8000   9.100000  -0.5560684     1.073672      
1 1 1 3  6  4  f 24.13730  0.1601600     233.6000   3.100000  2.029144       0.7326114     
1 1 1 3  6  5  o 86.81311  0.3777909     3022.000   26.30000  -1.891922      1.860585      
1 1 1 3  6  6  o 117.8824  0.4929671     5572.500   46.60000  2.284775       2.381812      
1 1 1 3  6  7  o 38.92119  0.2178732     607.4000   6.800000  0.1922874      1.054687      
1 1 1 3  6  8  o 26.45418  0.1791309     280.6000   3.800000  2.275494       0.9098310     
1 1 1 3  6  9  o 86.12904  0.3807915     2974.700   26.30000  4.149750       1.994061      
1 1 1 3  6  10 o 46.95075  0.2417018     883.9000   9.100000  1.992233       1.204571      
1 1 1 3  6  11 o 18.58525  0.1677462     138.5000   2.500000  2.578209       0.8359416     
1 1 1 3  6  12 o 27.43790  0.1954333     301.9000   4.300000  0.9085464      0.9251779     
1 1 1 3  6  13 o 9.977900  0.1624745     40.00000   1.300000  1.721512       0.8716632     
1 1 1 3  6  14 o 6.840296  0.3844055     18.80000   2.100000  1.745922       1.776665      
1 1 1 3  6  15 o 8.100813  0.3386688     26.30000   2.200000  -0.9387779E-01 1.670366      
1 1 1 3  6  16 o 5.976782  0.4626285     14.40000   2.200000  0.2962132      2.213836      
1 1 1 3  6  17 x ?         ?             ?          ?         -0.9224200     2.732286      
1 1 1 3  7  0  o 150.5967  1.021113      9097.200   123.3000  -0.000000      0.000000      
1 1 1 3  7  1  o 49.14705  0.2537369     968.5000   10.00000  -2.696869      1.181747      
1 1 1 3  7  2  o 61.72343  0.2889130     1527.600   14.30000  0.3112183      1.313602      
1 1 1 3  7  3  o 89.10660  0.3876600     3183.800   27.70000  -2.324966      1.765596      
1 1 1 3  7  4  o 47.73646  0.2351112     913.7000   9.000000  -2.044853      1.152289      
1 1 1 3  7  5  o 39.77690  0.2100511     634.4000   6.700000  0.3342590      1.045202      
1 1 1 3  7  6  f 143.6035  0.5905070     8270.300   68.00000  2.018509       2.881136      
1 1 1 3  7  7  o 71.33910  0.3268851     2040.700   18.70000  0.9751511      1.607284      
1 1 1 3  7  8  f 47.34517  0.2423222     898.8000   9.200000  2.185020       1.176181      
1 1 1 3  7  9  o 32.35689  0.2004092     419.8000   5.200000  3.346806       1.048145      
1 1 1 3  7  10 o 23.57215  0.1851612     222.8000   3.500000  1.264030       0.9692256     
1 1 1 3  7  11 o 13.23108  0.1885019     70.20000   2.000000  -0.7678223E-01 0.9671317     
1 1 1 3  7  12 o 17.73580  0.1968740     126.2000   2.800000  1.814959       0.8879053     
1 1 1 3  7  13 o 19.42914  0.1861339     151.3000   2.900000  0.9009323      0.9009205     
1 1 1 3  7  14 o 17.11265  0.1676068     117.4000   2.300000  1.652800       1.059094      
1 1 1 3  7  15 o 8.253166  0.3475268     27.30000   2.300000  -0.5446844     1.743117      
1 1 1 3  7  16 o 4.835155  0.5789167     9.500000   2.200000  -1.037775      2.639485      
1 1 1 3  7  17 x ?         ?             ?          ?         -0.1353130     2.387201      
1 1 1 3  8  0  o 30.19055  0.3346689     365.6000   8.100000  -0.000000      0.000000      
1 1 1 3  8  1  o 40.52838  0.2276950     658.6000   7.400000  0.7715225      1.049147      
1 1 1 3  8  2  o 80.89765  0.3576294     2624.200   23.20000  2.931381       1.635256      
1 1 1 3  8  3  o 65.08031  0.3008369     1698.300   15.70000  0.8989105      1.505033      
1 1 1 3  8  4  o 52.70939  0.2602470     1114.000   11.00000  0.6852951      1.271678      
1 1 1 3  8  5  o 69.92150  0.3245949     1960.400   18.20000  -1.673599      1.593831      
1 1 1 3  8  6  o 56.34732  0.2744287     1273.100   12.40000  -2.062904      1.360656      
1 1 1 3  8  7  o 98.63947  0.4285782     3901.800   33.90000  -1.545029      2.095434      
1 1 1 3  8  8  o 84.63047  0.4906802     2872.600   33.30000  -1.078430      2.276009      
1 1 1 3  8  9  o 31.61163  0.2051339     400.7000   5.200000  0.2845192      1.013038      
1 1 1 3  8  10 o 30.75481  0.2027393     379.3000   5.000000  0.2053032      1.016372      
1 1 1 3  8  11 o 9.027047  0.2486611     32.70000   1.800000  -1.284093      1.364361      
1 1 1 3  8  12 o 4.329104  0.5295485     7.600000   1.800000  -0.5441451     2.513612      
1 1 1 3  8  13 o 12.15268  0.2257520     59.20000   2.200000  1.643066       1.018624      
1 1 1 3  8  14 o 5.790956  0.3898870     13.50000   1.800000  0.8585262E-01  2.314218      
1 1 1 3  8  15 o 11.08923  0.1911740     49.30000   1.700000  1.505110       1.485203      
1 1 1 3  8  16 x ?         ?             ?          ?         1.116702       2.624542      
1 1 1 3  9  0  o 1.554101  0.9956637     0.1000000  2.800000  -0.000000      0.000000      
1 1 1 3  9  1  o 57.67722  0.2810737     1333.900   13.00000  0.6273651E-01  1.271071      
1 1 1 3  9  2  o 47.82223  0.2503355     917.0000   9.600000  -1.144691      1.139966      
1 1 1 3  9  3  o 143.7461  0.6168144     8287.300   71.10000  -4.314041      2.967215      
1 1 1 3  9  4  o 131.5793  0.6937527     6944.600   73.20000  4.271194       3.039233      
1 1 1 3  9  5  o 102.0094  0.4413145     4173.000   36.10000  1.239090       2.147159      
1 1 1 3  9  6  o 54.53836  0.2766715     1192.700   12.10000  -2.716721      1.363596      
1 1 1 3  9  7  o 58.66961  0.2911980     1380.300   13.70000  -1.405136      1.425929      
1 1 1 3  9  8  o 33.33535  0.2094904     445.6000   5.600000  1.048794       1.004687      
1 1 1 3  9  9  o 19.35953  0.1996861     150.3000   3.100000  0.8626900      0.9969795     
1 1 1 3  9  10 o 11.83357  0.2213015     56.20000   2.100000  -0.9723015     1.096127      
1 1 1 3  9  11 o 2.339793  0.8198455     1.900000   1.900000  -0.7540011     2.851238      
1 1 1 3  9  12 o 2.667762  0.8386575     2.800000   2.000000  -2.658026      2.694265      
1 1 1 3  9  13 o 4.286063  0.5982115     7.500000   2.000000  0.1504278E-01  2.736399      
1 1 1 3  9  14 o 7.425570  0.3526716     22.10000   2.100000  -2.046598      1.766452      
1 1 1 3  9  15 x ?         ?             ?          ?         -0.1171017E-01 2.081163      
1 1 1 3  10 0  o 16.43291  0.3189960     108.4000   4.200000  0.000000       0.000000      
1 1 1 3  10 1  o 17.68461  0.2044954     125.4000   2.900000  -0.1578636     0.9333891     
1 1 1 3  10 2  o 67.41091  0.3237344     1822.200   17.50000  0.2364578      1.584352      
1 1 1 3  10 3  x ?         ?             ?          ?         ?              ?             
1 1 1 3  10 4  o 21.65323  0.2015703     188.0000   3.500000  -0.7280464     1.003635      
1 1 1 3  10 5  x ?         ?             ?          ?         ?              ?             
1 1 1 3  10 6  o 15.18800  0.2298998     92.50000   2.800000  -0.1812859     1.176880      
1 1 1 3  10 7  o 16.12737  0.2087764     104.3000   2.700000  -0.1346340     1.030782      
1 1 1 3  10 8  o 14.09640  0.2211633     79.70000   2.500000  -0.8738937     1.115758      
1 1 1 3  10 9  o 10.00314  0.2742631     40.50000   2.200000  0.8429012      1.406281      
1 1 1 3  10 10 o 16.33152  0.1985308     106.9000   2.600000  0.6051826      0.9634305     
1 1 1 3  10 11 o 13.68772  0.2277665     75.10000   2.500000  -0.7676792     1.054757      
1 1 1 3  10 12 o 3.466418  0.7749374     5.000000   2.100000  1.013166       2.874890      
1 1 1 3  10 13 o 7.105583  0.4053338     20.30000   2.300000  1.583988       1.993927      
1 1 1 3  10 14 x ?         ?             ?          ?         0.1853275      2.233405      
1 1 1 3  11 0  o 13.91725  0.3319616     77.80000   3.700000  0.000000       0.000000      
1 1 1 3  11 1  o 16.80936  0.2151433     113.3000   2.900000  -0.8894482     1.066669      
1 1 1 3  11 2  o 13.77592  0.2444129     76.10000   2.700000  -0.6724758     1.208161      
1 1 1 3  11 3  o 11.82771  0.2635849     56.10000   2.500000  -1.126261      1.377136      
1 1 1 3  11 4  o 23.47065  0.2072147     220.9000   3.900000  -1.601196      0.9759052     
1 1 1 3  11 5  o 2.503401  0.8818436     2.200000   2.200000  0.5348206E-01  2.826265      
1 1 1 3  11 6  o 31.90180  0.2189041     408.2000   5.600000  -3.140034      1.028329      
1 1 1 3  11 7  o 12.06376  0.2584274     58.50000   2.500000  -1.250992      1.288003      
1 1 1 3  11 8  o 4.716167  0.5666205     9.000000   2.100000  1.752719       2.776253      
1 1 1 3  11 9  o 14.91800  0.2257014     89.20000   2.700000  1.175867       1.097876      
1 1 1 3  11 10 f 10.08950  0.2966351     40.80000   2.400000  -0.2566833     1.412996      
1 1 1 3  11 11 o 9.876576  0.2904039     39.10000   2.300000  0.1048946      1.544827      
1 1 1 3  11 12 o 3.430236  0.8123337     4.900000   2.200000  -3.211340      2.675083      
1 1 1 3  11 13 x ?         ?             ?          ?         0.3728485E-01  2.982241      
1 1 1 3  12 0  o 9.127105  0.4812630     33.70000   3.500000  -0.000000      0.000000      
1 1 1 3  12 1  o 22.68583  0.2088863     206.4000   3.800000  -0.5188522     1.050283      
1 1 1 3  12 2  o 2.975512  0.8927839     3.600000   2.300000  1.313139       2.921432      
1 1 1 3  12 3  o 9.601171  0.3247109     37.00000   2.500000  0.5688953      1.559523      
1 1 1 3  12 4  o 1.561741  0.7316008     -2.300000  2.300000  -0.1592093     2.576394      
1 1 1 3  12 5  o 16.25670  0.2224574     104.8000   2.900000  0.3715763      1.112574      
1 1 1 3  12 6  o 7.128852  0.4217050     20.40000   2.400000  1.686529       2.285054      
1 1 1 3  12 7  o 9.557786  0.3261848     36.60000   2.500000  -1.095942      1.437429      
1 1 1 3  12 8  o 5.652458  0.5130126     12.90000   2.300000  -3.135406      0.4988676     
1 1 1 3  12 9  o 6.818452  0.4227363     18.70000   2.300000  -0.5981903     1.898712      
1 1 1 3  12 10 o 8.907454  0.3499996     31.80000   2.500000  3.865369       1.924378      
1 1 1 3  12 11 o 8.665882  0.3453660     30.10000   2.400000  -0.2558002     1.718020      
1 1 1 3  12 12 x ?         ?             ?          ?         -1.815323      2.773445      
1 1 1 3  13 0  o 5.130900  0.9451854     11.50000   3.500000  -0.000000      0.000000      
1 1 1 3  13 1  f 12.04538  0.2795273     58.10000   2.700000  -0.5985184     1.489610      
1 1 1 3  13 2  o 1.828727  0.8135775     -1.000000  2.400000  -3.303606      2.782586      
1 1 1 3  13 3  o 8.641874  0.3896161     29.90000   2.700000  3.412432       1.870846      
1 1 1 3  13 4  o 15.48485  0.2415992     96.10000   3.000000  1.124983       1.166047      
1 1 1 3  13 5  o 8.419653  0.3850882     28.40000   2.600000  -0.4999161E-02 1.773965      
1 1 1 3  13 6  o 2.707602  0.9408929     2.600000   2.500000  1.585981       2.905391      
1 1 1 3  13 7  o 2.857302  0.9412225     3.100000   2.500000  3.305274       2.787380      
1 1 1 3  13 8  o 2.454168  0.9277671     1.700000   2.500000  -1.627518      2.952541      
1 1 1 3  13 9  f 5.929748  0.5313938     14.20000   2.500000  -2.087466      2.878242      
1 1 1 3  13 10 o 4.585317  0.6727178     8.600000   2.400000  2.293578       2.902838      
1 1 1 3  13 11 x ?         ?             ?          ?         -0.3345304     2.831040      
1 1 1 3  14 0  o 11.82751  0.4442526     56.30000   4.200000  -0.000000      0.000000      
1 1 1 3  14 1  o 8.653210  0.4035170     30.00000   2.800000  -0.4844799     2.264804      
1 1 1 3  14 2  o 4.796669  0.6962954     9.400000   2.600000  -3.106839      3.221428      
1 1 1 3  14 3  o 7.711136  0.4384541     23.90000   2.700000  0.6831827      2.279260      
1 1 1 3  14 4  o 14.28521  0.2618881     81.80000   3.000000  0.1431465      1.266919      
1 1 1 3  14 5  o 7.580552  0.4294792     23.10000   2.600000  3.213366       2.762632      
1 1 1 3  14 6  o 7.276213  0.4651762     21.30000   2.700000  1.724966       2.444743      
1 1 1 3  14 7  o 8.012645  0.4216967     25.80000   2.700000  -0.8374615     2.364769      
1 1 1 3  14 8  o 2.590347  0.9368868     2.200000   2.500000  -0.8893862     2.949389      
1 1 1 3  14 9  x ?         ?             ?          ?         0.7279510      3.102914      
1 1 1 3  15 0  o 3.152245  1.463709      5.800000   4.100000  0.000000       0.000000      
1 1 1 3  15 1  o 6.133154  0.5760690     15.20000   2.800000  2.453173       2.870732      
1 1 1 3  15 2  o 6.151824  0.5953063     15.30000   2.900000  -1.831791      3.451250      
1 1 1 3  15 3  o 1.857623  0.8475062     -1.900000  2.800000  1.402129       2.929154      
1 1 1 3  15 4  o 4.679710  0.7731391     9.000000   2.800000  1.958645       3.247679      
1 1 1 3  15 5  o 3.321558  0.9597279     4.500000   2.700000  -4.376122      2.977504      
1 1 1 3  15 6  x ?         ?             ?          ?         -2.225054      2.809792      
1 1 1 3  15 7  x ?         ?             ?          ?         -0.6417208     2.843203      
1 1 1 3  16 0  x ?         ?             ?          ?         -0.000000      0.000000      
1 1 1 3  16 1  x ?         ?             ?          ?         -2.227714      3.228537      
1 1 1 3  16 2  x ?         ?             ?          ?         -0.1309862     3.396561      
1 1 1 3  16 3  x ?         ?             ?          ?         1.808173       3.351431      
1 1 1 3  16 4  x ?         ?             ?          ?         -0.7134078     2.728770      
1 1 1 4  1  0  o 33.90875  0.2537892     461.1000   6.900000  0.000000       0.000000      
1 1 1 4  1  1  f 102.8033  0.4366933     4238.000   36.00000  3.161102       2.774315      
1 1 1 4  1  2  o 98.08071  0.4297483     3857.600   33.80000  7.808517       2.410079      
1 1 1 4  1  3  o 166.7516  0.6962427     11153.60   93.10000  -0.6271057     3.891745      
1 1 1 4  1  4  o 80.89516  0.3622651     2624.200   23.50000  2.552971       1.844031      
1 1 1 4  1  5  o 109.7631  0.4748988     4831.900   41.80000  1.425903       2.260604      
1 1 1 4  1  6  o 134.0011  0.5639563     7201.900   60.60000  3.471222       2.683414      
1 1 1 4  1  7  o 71.19055  0.3188086     2032.200   18.20000  0.1531448      1.766281      
1 1 1 4  1  8  o 104.4670  0.4500321     4376.200   37.70000  1.998383       2.491321      
1 1 1 4  1  9  o 65.35403  0.2995769     1712.600   15.70000  2.674690       1.430606      
1 1 1 4  1  10 o 43.94147  0.2298749     774.2000   8.100000  1.677696       1.144649      
1 1 1 4  1  11 o 70.19029  0.3215752     1975.500   18.10000  1.008553       1.672371      
1 1 1 4  1  12 o 5.992676  0.2705227     14.40000   1.300000  -0.3908052     1.611214      
1 1 1 4  1  13 o 23.97097  0.1664737     230.4000   3.200000  3.132774       0.8591615     
1 1 1 4  1  14 o 12.32366  0.1517863     60.90000   1.500000  2.430984       0.8752111     
1 1 1 4  1  15 o 13.82091  0.1624116     76.50000   1.800000  0.9883480      0.7833202     
1 1 1 4  1  16 o 5.651178  0.2648033     12.80000   1.200000  0.7939606      1.547448      
1 1 1 4  1  17 o 10.00196  0.2867635     40.10000   2.300000  1.547297       1.517842      
1 1 1 4  1  18 o 5.255620  0.5790778     11.20000   2.400000  1.006015       2.893442      
1 1 1 4  1  19 x ?         ?             ?          ?         -1.526483      2.296020      
1 1 1 4  2  0  o 52.07924  0.3687960     1087.700   15.40000  -0.000000      0.000000      
1 1 1 4  2  1  o 23.13474  0.1724910     214.6000   3.200000  -4.892380      0.8642557     
1 1 1 4  2  2  o 68.16881  0.3274526     1863.400   17.90000  1.878632       1.720714      
1 1 1 4  2  3  o 121.0598  0.5222627     5877.900   50.70000  -3.229172      2.985030      
1 1 1 4  2  4  o 100.7374  0.4444111     4069.800   35.90000  0.7924042      2.251426      
1 1 1 4  2  5  o 20.95109  0.1488039     176.0000   2.500000  3.574474       0.7094759     
1 1 1 4  2  6  o 10.74589  0.1392579     46.30000   1.200000  -3.734272      0.8064299     
1 1 1 4  2  7  o 52.30820  0.2550910     1097.100   10.70000  -1.957306      1.471017      
1 1 1 4  2  8  o 121.8689  0.5218654     5955.800   51.00000  -2.344727      2.875992      
1 1 1 4  2  9  o 67.94132  0.3138652     1850.900   17.10000  0.8043289      1.742575      
1 1 1 4  2  10 o 62.32413  0.2961328     1557.500   14.80000  4.101334       1.635717      
1 1 1 4  2  11 o 65.16013  0.3042960     1702.500   15.90000  2.186249       1.446332      
1 1 1 4  2  12 o 40.54935  0.2245019     659.3000   7.300000  3.059021       1.028156      
1 1 1 4  2  13 o 4.825217  0.3910268     9.400000   1.500000  -0.1068573     1.988455      
1 1 1 4  2  14 o 14.43786  0.1813834     83.60000   2.100000  0.2711487      0.9923354     
1 1 1 4  2  15 o 23.34912  0.1762481     218.5000   3.300000  0.9807396      0.9668278     
1 1 1 4  2  16 o 19.61837  0.1589125     154.3000   2.500000  3.044865       0.9508588     
1 1 1 4  2  17 o 7.151276  0.2790086     20.50000   1.600000  0.8580904      1.893021      
1 1 1 4  2  18 o 6.965744  0.3592734     19.50000   2.000000  1.249831       2.541859      
1 1 1 4  3  0  o 8.695788  0.2586515     30.40000   1.800000  0.000000       0.000000      
1 1 1 4  3  1  o 51.57502  0.2587173     1066.600   10.70000  3.026741       1.250996      
1 1 1 4  3  2  o 15.22974  0.1310112     93.00000   1.600000  -1.474363      0.6369793     
1 1 1 4  3  3  o 41.71370  0.2092668     697.7000   7.000000  4.135010       1.024770      
1 1 1 4  3  4  o 62.77588  0.2860558     1580.200   14.40000  -3.436943      1.395074      
1 1 1 4  3  5  o 64.57784  0.2954534     1672.200   15.30000  2.424225       1.460928      
1 1 1 4  3  6  o 104.2046  0.4415914     4354.300   36.90000  2.241760       2.064644      
1 1 1 4  3  7  o 125.7232  0.5227284     6338.500   52.70000  -0.9327698E-01 2.566777      
1 1 1 4  3  8  o 14.29203  0.1657833     81.90000   1.900000  0.9634762      0.7996929     
1 1 1 4  3  9  o 42.63375  0.2076758     728.8000   7.100000  2.345352       1.057864      
1 1 1 4  3  10 o 56.86975  0.2565580     1296.800   11.70000  -0.6291199     1.309548      
1 1 1 4  3  11 o 67.08339  0.3067256     1804.500   16.50000  2.472832       1.645090      
1 1 1 4  3  12 o 38.71149  0.2222749     600.9000   6.900000  5.944244       0.9962130     
1 1 1 4  3  13 f 15.87823  0.1963446     101.1000   2.500000  2.564173       1.026930      
1 1 1 4  3  14 o 10.48030  0.2260795     44.10000   1.900000  3.346107       1.232592      
1 1 1 4  3  15 o 17.09946  0.1969076     117.2000   2.700000  1.036903       1.010204      
1 1 1 4  3  16 o 9.004382  0.2631363     32.50000   1.900000  1.286288       1.469860      
1 1 1 4  3  17 f 5.920286  0.3597917     14.10000   1.700000  2.206798       2.449041      
1 1 1 4  3  18 x ?         ?             ?          ?         4.827449       2.430856      
1 1 1 4  4  0  o 81.94543  0.5098459     2693.100   33.50000  0.000000       0.000000      
1 1 1 4  4  1  o 14.98209  0.1331768     90.00000   1.600000  2.825924       0.6208810     
1 1 1 4  4  2  o 155.3721  0.6541325     9683.400   81.50000  -4.487534      3.067417      
1 1 1 4  4  3  o 43.60218  0.2259436     762.3000   7.900000  2.674973       1.060863      
1 1 1 4  4  4  o 99.99184  0.4277703     4009.400   34.30000  -3.849014      2.061248      
1 1 1 4  4  5  o 46.30435  0.2289171     859.7000   8.500000  -3.447899      1.122130      
1 1 1 4  4  6  f 48.38773  0.2371012     938.8000   9.200000  -2.787064      1.151426      
1 1 1 4  4  7  o 50.48869  0.2544041     1022.100   10.30000  0.8787308      1.276199      
1 1 1 4  4  8  o 75.65555  0.3329597     2295.100   20.20000  1.970924       1.626758      
1 1 1 4  4  9  o 38.65434  0.2096989     599.1000   6.500000  2.154472       1.047461      
1 1 1 4  4  10 f 30.51663  0.1798031     373.4000   4.400000  2.541035       0.9059426     
1 1 1 4  4  11 o 53.41574  0.2614748     1144.100   11.20000  3.771858       1.318212      
1 1 1 4  4  12 o 18.60524  0.1742686     138.8000   2.600000  2.409710       0.7713630     
1 1 1 4  4  13 o 17.17505  0.1960410     118.3000   2.700000  -0.2685738E-01 0.9671956     
1 1 1 4  4  14 o 21.22791  0.1997344     180.5000   3.400000  0.2518730      0.9334561     
1 1 1 4  4  15 o 10.16318  0.2576740     41.40000   2.100000  2.909221       1.288994      
1 1 1 4  4  16 o 2.426354  0.8416507     2.100000   2.000000  4.804386       2.327487      
1 1 1 4  4  17 o 8.038364  0.3257861     25.90000   2.100000  1.538694       1.631693      
1 1 1 4  4  18 x ?         ?             ?          ?         0.9495206      3.129766      
1 1 1 4  5  0  o 6.592334  0.3812487     17.60000   2.000000  0.000000       0.000000      
1 1 1 4  5  1  o 126.9323  0.5285562     6461.400   53.80000  2.183563       2.398467      
1 1 1 4  5  2  o 135.1352  0.5804481     7323.700   62.90000  2.282990       2.558874      
1 1 1 4  5  3  o 84.81768  0.3719762     2884.700   25.30000  -0.3012543     1.681590      
1 1 1 4  5  4  o 95.76552  0.4232094     3677.500   32.50000  -4.064346      1.998025      
1 1 1 4  5  5  o 22.12640  0.2028957     196.3000   3.600000  0.1667213      0.8614638     
1 1 1 4  5  6  o 115.9202  0.4894784     5388.500   45.50000  4.577255       2.563991      
1 1 1 4  5  7  o 111.7377  0.4732028     5006.700   42.40000  1.019882       2.481663      
1 1 1 4  5  8  o 41.43512  0.2166931     688.4000   7.200000  1.528931       1.066691      
1 1 1 4  5  9  o 37.37494  0.2068675     560.1000   6.200000  -1.042431      1.020661      
1 1 1 4  5  10 o 23.70441  0.1736065     225.3000   3.300000  -0.1028900     0.8438399     
1 1 1 4  5  11 o 36.19452  0.2032780     525.3000   5.900000  2.496796       1.015578      
1 1 1 4  5  12 o 30.16147  0.1860549     364.8000   4.500000  2.585705       0.9158855     
1 1 1 4  5  13 o 2.814014  0.5060762     3.300000   1.100000  -0.8599164     2.099483      
1 1 1 4  5  14 o 4.575738  0.5565268     8.500000   2.000000  -0.4730320     2.307571      
1 1 1 4  5  15 o 14.01163  0.2314012     78.70000   2.600000  2.197943       1.066920      
1 1 1 4  5  16 o 4.484811  0.5988862     8.200000   2.100000  1.488710       2.560382      
1 1 1 4  5  17 x ?         ?             ?          ?         1.190156       2.706905      
1 1 1 4  6  0  o 145.3304  0.8409755     8471.000   98.00000  0.000000       0.000000      
1 1 1 4  6  1  o 115.3715  0.4896443     5337.600   45.30000  -2.162354      2.242450      
1 1 1 4  6  2  o 82.38462  0.4192902     2721.600   27.70000  -0.7726288     1.932346      
1 1 1 4  6  3  o 55.04034  0.2696168     1214.700   11.90000  -2.263222      1.168204      
1 1 1 4  6  4  o 49.19525  0.2484185     970.4000   9.800000  0.1070633      1.121795      
1 1 1 4  6  5  o 29.00409  0.1805806     337.3000   4.200000  -0.2380104     0.8166463     
1 1 1 4  6  6  o 23.56738  0.1746159     222.7000   3.300000  1.172195       0.9218642     
1 1 1 4  6  7  o 147.8574  0.6123146     8767.900   72.60000  1.762939       3.216684      
1 1 1 4  6  8  o 24.90501  0.1902734     248.7000   3.800000  3.852806       1.006142      
1 1 1 4  6  9  o 13.83974  0.1892223     76.80000   2.100000  0.9621162      0.9461512     
1 1 1 4  6  10 o 13.25976  0.1974989     70.50000   2.100000  0.2165985E-01  0.9629874     
1 1 1 4  6  11 f 3.137009  0.6570894     4.100000   1.600000  1.013920       2.515255      
1 1 1 4  6  12 o 22.03804  0.1754163     194.8000   3.100000  4.005852       0.8784259     
1 1 1 4  6  13 o 13.38459  0.1770230     71.80000   1.900000  1.457975       0.8602390     
1 1 1 4  6  14 o 12.91803  0.1641094     66.90000   1.700000  2.932201       0.7587255     
1 1 1 4  6  15 o 3.360663  0.8229308     4.700000   2.200000  0.7118869      2.694610      
1 1 1 4  6  16 o 5.674942  0.4881919     13.00000   2.200000  1.000321       2.587429      
1 1 1 4  6  17 x ?         ?             ?          ?         -0.5611682     2.791026      
1 1 1 4  7  0  o 26.61979  0.2530222     284.2000   5.400000  0.000000       0.000000      
1 1 1 4  7  1  o 52.50332  0.2588933     1105.300   10.90000  0.1652298      1.176973      
1 1 1 4  7  2  o 96.08517  0.4153122     3702.100   32.00000  3.064682       1.895577      
1 1 1 4  7  3  o 43.87902  0.2273601     772.0000   8.000000  1.219620       1.010116      
1 1 1 4  7  4  o 38.57363  0.2133706     596.6000   6.600000  -0.3782806     0.9524344     
1 1 1 4  7  5  o 97.00502  0.4203728     3773.400   32.70000  0.2119446E-01  2.064496      
1 1 1 4  7  6  o 47.59485  0.2462912     908.3000   9.400000  0.4643784      1.207519      
1 1 1 4  7  7  o 47.36082  0.2554075     899.4000   9.700000  1.212624       1.284010      
1 1 1 4  7  8  o 26.55274  0.1925553     282.7000   4.100000  1.320454       0.9969206     
1 1 1 4  7  9  o 49.18300  0.2636935     970.0000   10.40000  2.538567       1.391845      
1 1 1 4  7  10 o 19.64157  0.1904698     154.7000   3.000000  0.9210320      0.9900768     
1 1 1 4  7  11 o 14.03451  0.1954818     79.00000   2.200000  1.933905       0.9657733     
1 1 1 4  7  12 o 7.035451  0.3190521     19.80000   1.800000  0.3082294      1.521201      
1 1 1 4  7  13 o 8.387976  0.2527393     28.20000   1.700000  1.367022       1.276987      
1 1 1 4  7  14 o 5.101738  0.4192477     10.50000   1.700000  2.657153       1.926390      
1 1 1 4  7  15 o 7.482050  0.4014769     22.50000   2.400000  1.075236       1.831944      
1 1 1 4  7  16 x ?         ?             ?          ?         -0.7538128E-01 2.930469      
1 1 1 4  8  0  o 12.91330  0.3385221     67.00000   3.500000  0.000000       0.000000      
1 1 1 4  8  1  o 35.83521  0.2122760     514.9000   6.100000  0.5069275      0.9818745     
1 1 1 4  8  2  o 72.18700  0.3316831     2089.500   19.20000  -2.341248      1.515652      
1 1 1 4  8  3  o 81.74026  0.3661477     2679.200   24.00000  0.4589081      1.671096      
1 1 1 4  8  4  o 92.21911  0.4205528     3410.300   31.10000  -0.6500397     1.998499      
1 1 1 4  8  5  o 41.16311  0.2272135     679.4000   7.500000  1.872593       1.078437      
1 1 1 4  8  6  o 93.18938  0.4295559     3482.600   32.10000  -1.946869      2.140204      
1 1 1 4  8  7  o 34.67810  0.2157630     482.2000   6.000000  -0.6998863     1.050943      
1 1 1 4  8  8  f 3.538343  0.6944262     5.200000   1.900000  2.570779       2.589069      
1 1 1 4  8  9  o 33.96432  0.2129542     462.6000   5.800000  2.234493       1.186050      
1 1 1 4  8  10 o 9.365931  0.2796079     35.20000   2.100000  -0.8905258     1.555008      
1 1 1 4  8  11 o 1.576701  0.7027916     -0.8000000 1.800000  -0.7941356     2.612149      
1 1 1 4  8  12 o 11.29110  0.2319339     51.10000   2.100000  0.8519955      1.109869      
1 1 1 4  8  13 o 11.21283  0.2335527     50.40000   2.100000  -0.1602459     1.196902      
1 1 1 4  8  14 o 1.723619  0.7463258     -0.3000000 1.900000  0.6473002      2.386452      
1 1 1 4  8  15 o 4.203858  0.5469071     7.200000   1.800000  -1.774162      2.492279      
1 1 1 4  9  0  f 4.038141  1.036066      7.700000   2.900000  0.000000       0.000000      
1 1 1 4  9  1  o 8.190444  0.3501882     26.90000   2.300000  -0.3888187     1.684100      
1 1 1 4  9  2  f 35.95658  0.2184959     518.4000   6.300000  2.005009       1.025403      
1 1 1 4  9  3  o 65.19726  0.3404644     1704.500   17.80000  -1.246765      1.811721      
1 1 1 4  9  4  o 34.58468  0.2163459     479.6000   6.000000  -0.9309769     1.070196      
1 1 1 4  9  5  o 33.74497  0.2180339     456.6000   5.900000  -1.506237      1.091314      
1 1 1 4  9  6  o 46.82843  0.3115712     879.4000   11.70000  -1.865288      1.288091      
1 1 1 4  9  7  o 22.42220  0.1946574     201.6000   3.500000  -1.696381      0.9481047     
1 1 1 4  9  8  o 16.94132  0.2061066     115.1000   2.800000  0.2618332      1.001032      
1 1 1 4  9  9  o 16.61008  0.1952013     110.7000   2.600000  0.5943508      0.9732897     
1 1 1 4  9  10 o 15.77455  0.2134459     99.70000   2.700000  2.202366       1.111737      
1 1 1 4  9  11 o 8.193340  0.3196240     26.90000   2.100000  0.8525991      1.601410      
1 1 1 4  9  12 o 2.148027  0.8255464     1.200000   2.000000  -2.575577      2.621544      
1 1 1 4  9  13 o 4.373961  0.5848575     7.800000   2.000000  -1.778086      2.543678      
1 1 1 4  9  14 o 4.938833  0.5656962     9.900000   2.200000  3.657924       2.711252      
1 1 1 4  9  15 x ?         ?             ?          ?         3.460247       2.720399      
1 1 1 4  10 0  o 42.63443  0.3364181     729.0000   11.50000  -0.000000      0.000000      
1 1 1 4  10 1  o 20.96259  0.2022623     176.2000   3.400000  1.313194       0.9358441     
1 1 1 4  10 2  o 25.95875  0.2017654     270.2000   4.200000  0.6356812      0.9158688     
1 1 1 4  10 3  o 29.45965  0.2074195     348.0000   4.900000  0.7278595      0.9576716     
1 1 1 4  10 4  f 45.74913  0.3407283     839.4000   12.50000  -2.889137      1.495898      
1 1 1 4  10 5  f 9.368485  0.2928427     35.20000   2.200000  1.427632       1.483975      
1 1 1 4  10 6  o 9.260665  0.2962522     34.40000   2.200000  2.836734       1.625094      
1 1 1 4  10 7  o 10.84575  0.2644535     47.20000   2.300000  1.189880       1.327207      
1 1 1 4  10 8  o 18.64009  0.2007032     138.4000   3.000000  1.046959       1.005134      
1 1 1 4  10 9  o 20.22805  0.1972772     164.0000   3.200000  -0.2814865E-01 0.9783410     
1 1 1 4  10 10 o 6.801733  0.4051889     18.60000   2.200000  -0.5954924     1.935771      
1 1 1 4  10 11 o 5.213190  0.5337873     11.00000   2.200000  -3.735708      2.768976      
1 1 1 4  10 12 o 2.298990  0.8541209     1.600000   2.100000  -1.005175      2.853706      
1 1 1 4  10 13 f 4.423514  0.6387082     8.000000   2.200000  1.068102       2.939585      
1 1 1 4  10 14 x ?         ?             ?          ?         1.196942       1.905466      
1 1 1 4  11 0  o 49.25114  0.3773187     973.0000   14.90000  0.000000       0.000000      
1 1 1 4  11 1  o 8.662224  0.3599081     30.10000   2.500000  -1.624046      1.628603      
1 1 1 4  11 2  f 20.91967  0.2026774     175.5000   3.400000  0.8901672      0.9181344     
1 1 1 4  11 3  o 23.46958  0.2019107     220.9000   3.800000  1.260578       1.007078      
1 1 1 4  11 4  o 15.56675  0.2243061     97.20000   2.800000  -0.3715515     1.129894      
1 1 1 4  11 5  o 4.344577  0.6515669     7.800000   2.200000  2.954266       2.764236      
1 1 1 4  11 6  o 11.40352  0.2733896     51.90000   2.500000  0.5712471      1.299966      
1 1 1 4  11 7  o 7.369329  0.3906016     21.80000   2.300000  0.2219210      2.055673      
1 1 1 4  11 8  o 2.977662  0.8680419     3.600000   2.200000  0.7981415      2.999023      
1 1 1 4  11 9  o 13.74230  0.2450108     75.70000   2.700000  0.8133888E-01  1.225681      
1 1 1 4  11 10 o 8.373438  0.3574280     28.10000   2.400000  -0.5150862     1.855462      
1 1 1 4  11 11 o 5.158823  0.5908038     10.80000   2.400000  -2.932138      3.018362      
1 1 1 4  11 12 o 2.342255  0.9032253     1.400000   2.400000  0.2617428      2.695158      
1 1 1 4  11 13 x ?         ?             ?          ?         3.762186       2.912829      
1 1 1 4  12 0  o 3.788082  1.286028      8.000000   3.500000  0.000000       0.000000      
1 1 1 4  12 1  o 7.121003  0.4221753     21.30000   2.400000  0.6556225      1.954918      
1 1 1 4  12 2  o 11.32210  0.2863699     51.10000   2.600000  0.7825642      1.436055      
1 1 1 4  12 3  o 18.33877  0.2176010     134.7000   3.200000  0.6411572      1.063532      
1 1 1 4  12 4  o 10.74015  0.3018866     46.20000   2.600000  0.8853817      1.533279      
1 1 1 4  12 5  o 5.138356  0.5933732     10.70000   2.400000  -1.295648      3.092415      
1 1 1 4  12 6  o 2.822517  0.9007398     3.100000   2.300000  -1.375745      2.990399      
1 1 1 4  12 7  o 9.264930  0.3364953     34.40000   2.500000  1.230026       1.737633      
1 1 1 4  12 8  o 2.291377  0.8977152     1.200000   2.400000  0.1190548      2.734702      
1 1 1 4  12 9  o 10.18746  0.3060239     41.60000   2.500000  1.362500       1.511488      
1 1 1 4  12 10 o 7.312938  0.4109265     21.50000   2.400000  -1.450108      2.088515      
1 1 1 4  12 11 x ?         ?             ?          ?         0.5393572      2.626600      
1 1 1 4  13 0  o 6.549137  0.7274849     17.80000   3.700000  0.000000       0.000000      
1 1 1 4  13 1  o 4.414274  0.7318950     8.000000   2.500000  2.214876       3.056297      
1 1 1 4  13 2  o 11.09138  0.3035703     49.30000   2.700000  -1.367502      1.452414      
1 1 1 4  13 3  o 6.535587  0.4803866     17.20000   2.500000  2.567665       3.018919      
1 1 1 4  13 4  o 8.209064  0.4101580     27.00000   2.700000  3.210480       2.536408      
1 1 1 4  13 5  o 1.727696  0.7985786     -2.200000  2.600000  -1.119612      2.784131      
1 1 1 4  13 6  o 5.970659  0.5491970     14.40000   2.600000  -1.032610      2.781788      
1 1 1 4  13 7  o 10.32146  0.3262148     42.70000   2.700000  1.082381       1.694937      
1 1 1 4  13 8  o 3.700510  0.8875955     5.700000   2.600000  -1.322508      3.106646      
1 1 1 4  13 9  x ?         ?             ?          ?         -0.8174467E-01 3.278998      
1 1 1 4  13 10 x ?         ?             ?          ?         0.9439936      3.029902      
1 1 1 4  14 0  o 1.741359  1.142549      -0.7000000 4.000000  -0.000000      0.000000      
1 1 1 4  14 1  o 4.625530  0.7828060     8.800000   2.800000  -1.922092      3.256801      
1 1 1 4  14 2  o 11.49929  0.3253355     53.00000   3.000000  -1.036272      1.636785      
1 1 1 4  14 3  o 2.566948  0.9655519     1.900000   2.700000  0.9396586      3.063999      
1 1 1 4  14 4  o 11.87249  0.3046051     56.50000   2.900000  1.000816       1.539341      
1 1 1 4  14 5  o 3.239803  0.9879873     4.200000   2.800000  -0.8829007     3.288142      
1 1 1 4  14 6  o 6.472079  0.5445657     16.90000   2.800000  2.686716       3.126090      
1 1 1 4  14 7  x ?         ?             ?          ?         -0.7068229     3.327809      
1 1 1 4  14 8  x ?         ?             ?          ?         0.2133603      2.828346      
1 1 1 4  15 0  o 1.667282  1.118500      -1.700000  4.200000  -0.000000      0.000000      
1 1 1 4  15 1  o 5.567322  0.6865226     12.60000   3.000000  3.297650       3.201071      
1 1 1 4  15 2  x ?         ?             ?          ?         -0.4843035     3.081854      
1 1 1 4  15 3  x ?         ?             ?          ?         -1.223724      3.408927      
1 1 1 4  15 4  x ?         ?             ?          ?         2.845946       3.119354      
1 1 1 4  15 5  x ?         ?             ?          ?         -0.8557100     3.231637      
1 1 1 5  1  0  o 38.15098  0.2844127     583.7000   8.700000  0.000000       0.000000      
1 1 1 5  1  1  o 150.0952  0.6123245     9036.200   73.70000  -3.266479      3.910784      
1 1 1 5  1  2  o 71.41132  0.3195693     2044.900   18.30000  2.181343       1.876311      
1 1 1 5  1  3  o 114.5855  0.4940915     5265.900   45.40000  2.745132       2.729109      
1 1 1 5  1  4  o 74.05922  0.3350850     2199.400   19.90000  -2.803978      1.863866      
1 1 1 5  1  5  o 80.57755  0.3605977     2603.600   23.30000  4.057556       1.829596      
1 1 1 5  1  6  o 43.28097  0.2103328     751.1000   7.300000  1.568901       1.030540      
1 1 1 5  1  7  o 27.95326  0.1606021     313.3000   3.600000  3.554516       0.8216159     
1 1 1 5  1  8  o 130.3992  0.5326737     6818.800   55.70000  3.377609       2.646842      
1 1 1 5  1  9  o 90.77954  0.3860108     3304.500   28.10000  0.4822540      2.178419      
1 1 1 5  1  10 o 29.46897  0.1777319     348.2000   4.200000  3.883553       0.8452498     
1 1 1 5  1  11 o 70.31046  0.3263465     1982.300   18.40000  1.617348       1.562826      
1 1 1 5  1  12 o 45.66330  0.2457855     836.1000   9.000000  1.923912       1.279972      
1 1 1 5  1  13 o 10.81501  0.1614292     46.90000   1.400000  1.627590       1.068968      
1 1 1 5  1  14 o 8.020671  0.1554785     25.80000   1.000000  3.696809       1.103821      
1 1 1 5  1  15 o 13.15868  0.1800621     69.40000   1.900000  2.819805       0.9282891     
1 1 1 5  1  16 o 10.89699  0.2288782     47.60000   2.000000  3.346684       1.034730      
1 1 1 5  1  17 o 4.663549  0.4606019     8.800000   1.700000  6.929745       1.935174      
1 1 1 5  1  18 x ?         ?             ?          ?         0.2627897E-01  2.565237      
1 1 1 5  2  0  o 142.7682  0.8875259     8177.200   101.6000  0.000000       0.000000      
1 1 1 5  2  1  o 79.42889  0.3783726     2530.000   24.10000  -5.542503      2.264109      
1 1 1 5  2  2  o 87.78884  0.3806944     3090.600   26.80000  0.3038025E-01  2.229764      
1 1 1 5  2  3  o 81.60715  0.3560481     2670.600   23.30000  -1.129623      2.035428      
1 1 1 5  2  4  o 120.9926  0.5235835     5871.200   50.80000  0.4709930      2.660114      
1 1 1 5  2  5  o 15.39266  0.1458277     95.00000   1.800000  -1.101110      0.7195618     
1 1 1 5  2  6  o 38.14132  0.2059804     583.3000   6.300000  0.7690582      1.061774      
1 1 1 5  2  7  o 10.28336  0.1697751     42.40000   1.400000  3.253222       0.8430721     
1 1 1 5  2  8  o 101.2229  0.4755428     4108.700   38.60000  -1.789490      2.550084      
1 1 1 5  2  9  o 94.45000  0.4185413     3577.200   31.70000  1.219650       2.316574      
1 1 1 5  2  10 o 45.75417  0.2371208     839.4000   8.700000  1.711975       1.371505      
1 1 1 5  2  11 f 42.17751  0.2247055     713.3000   7.600000  -1.702156      1.309414      
1 1 1 5  2  12 o 12.52479  0.1692621     62.90000   1.700000  -0.1275692     0.7520657     
1 1 1 5  2  13 o 29.73679  0.1929056     354.6000   4.600000  6.111313       0.8627729     
1 1 1 5  2  14 o 12.19547  0.1636072     59.70000   1.600000  2.611803       0.6717767     
1 1 1 5  2  15 o 28.36930  0.2022042     322.6000   4.600000  -0.1123657     1.065047      
1 1 1 5  2  16 o 10.18687  0.2203500     41.60000   1.800000  -0.2647991     1.202819      
1 1 1 5  2  17 o 7.607899  0.3278282     23.20000   2.000000  -2.117626      2.207194      
1 1 1 5  2  18 x ?         ?             ?          ?         -0.2094936E-01 1.921670      
1 1 1 5  3  0  o 124.5607  0.7399100     6223.400   73.90000  0.000000       0.000000      
1 1 1 5  3  1  o 51.69582  0.2653496     1071.600   11.00000  4.820541       1.236133      
1 1 1 5  3  2  o 44.53021  0.2296361     795.1000   8.200000  -0.3619385E-01 1.146527      
1 1 1 5  3  3  o 139.1382  0.5951177     7764.600   66.40000  1.553391       3.003551      
1 1 1 5  3  4  o 99.36623  0.4392486     3959.400   35.00000  3.587723       2.207523      
1 1 1 5  3  5  o 115.9351  0.5087768     5390.000   47.30000  4.663116       2.434068      
1 1 1 5  3  6  o 114.9943  0.5140238     5302.800   47.40000  -0.5745087     2.483987      
1 1 1 5  3  7  o 35.22469  0.1982540     497.5000   5.600000  1.541470       0.9926527     
1 1 1 5  3  8  o 74.95316  0.3493900     2252.700   21.00000  2.218513       1.975177      
1 1 1 5  3  9  o 43.11349  0.2227197     745.3000   7.700000  0.8335190      1.152007      
1 1 1 5  3  10 o 54.82418  0.2593067     1205.200   11.40000  1.416824       1.382461      
1 1 1 5  3  11 f 17.62109  0.1627706     124.5000   2.300000  2.076406       0.8487272     
1 1 1 5  3  12 o 19.28328  0.1616740     149.1000   2.500000  3.622673       0.8423887     
1 1 1 5  3  13 o 11.05399  0.1579392     49.00000   1.400000  0.1433849      0.7527384     
1 1 1 5  3  14 o 6.200233  0.2011283     15.40000   1.000000  2.640567       1.047185      
1 1 1 5  3  15 o 4.718305  0.4549457     9.000000   1.700000  0.4160309      2.397779      
1 1 1 5  3  16 o 9.463499  0.2635477     35.90000   2.000000  4.025180       1.495789      
1 1 1 5  3  17 o 9.838137  0.2661874     38.80000   2.100000  0.9730234      1.455199      
1 1 1 5  3  18 x ?         ?             ?          ?         1.732490       2.455873      
1 1 1 5  4  0  o 11.98535  0.2917224     57.70000   2.800000  0.000000       0.000000      
1 1 1 5  4  1  o 111.1498  0.5037543     4954.400   44.90000  3.030670       2.454062      
1 1 1 5  4  2  o 56.55737  0.2778193     1282.600   12.60000  3.531059       1.391056      
1 1 1 5  4  3  o 78.30824  0.3630851     2458.900   22.80000  1.094048       1.848138      
1 1 1 5  4  4  o 166.5861  0.6789684     11129.70   90.70000  2.642761       3.329199      
1 1 1 5  4  5  o 44.58674  0.2265481     797.1000   8.100000  0.1510773      1.080466      
1 1 1 5  4  6  o 79.93033  0.3603972     2561.800   23.10000  2.478851       1.752849      
1 1 1 5  4  7  o 60.14751  0.2881896     1450.600   13.90000  0.2714157      1.348336      
1 1 1 5  4  8  o 41.27526  0.2235749     683.1000   7.400000  0.3390732      1.102433      
1 1 1 5  4  9  o 116.5545  0.4953736     5448.000   46.30000  1.664795       2.437487      
1 1 1 5  4  10 o 25.47423  0.1860217     260.2000   3.800000  2.259472       0.9328529     
1 1 1 5  4  11 o 56.22300  0.2861257     1267.600   12.90000  3.023018       1.476862      
1 1 1 5  4  12 o 7.253468  0.2406930     21.10000   1.400000  0.2370148      1.315929      
1 1 1 5  4  13 o 16.92767  0.1620715     115.0000   2.200000  2.810087       0.8298295     
1 1 1 5  4  14 o 4.623257  0.2982972     8.600000   1.100000  3.323065       1.334947      
1 1 1 5  4  15 o 8.622839  0.3181658     29.80000   2.200000  1.724847       1.804288      
1 1 1 5  4  16 o 5.190777  0.5111391     10.90000   2.100000  3.784815       2.588357      
1 1 1 5  4  17 x ?         ?             ?          ?         4.860004       2.546150      
1 1 1 5  5  0  o 11.81662  0.3065113     56.10000   2.900000  -0.000000      0.000000      
1 1 1 5  5  1  o 101.2691  0.4543916     4112.400   36.90000  -0.9060059     2.174518      
1 1 1 5  5  2  o 66.75793  0.3474490     1787.000   18.60000  3.523552       1.581986      
1 1 1 5  5  3  o 76.47845  0.3570969     2345.300   21.90000  0.7693024      1.708901      
1 1 1 5  5  4  o 61.35259  0.2886267     1509.300   14.20000  0.2298584      1.434303      
1 1 1 5  5  5  f 33.76418  0.1920561     457.1000   5.200000  0.2134094      0.9304096     
1 1 1 5  5  6  o 65.35178  0.3053118     1712.500   16.00000  -0.9049530     1.490269      
1 1 1 5  5  7  o 39.03951  0.2140186     611.1000   6.700000  0.8525276      1.047390      
1 1 1 5  5  8  o 27.48971  0.1905286     303.0000   4.200000  3.839573       0.9404885     
1 1 1 5  5  9  o 12.70279  0.1963415     64.70000   2.000000  1.195814       0.9689571     
1 1 1 5  5  10 o 42.18544  0.2394438     713.6000   8.100000  2.481125       1.189046      
1 1 1 5  5  11 o 9.153546  0.2316011     33.60000   1.700000  3.407400       1.114761      
1 1 1 5  5  12 o 10.90510  0.1944019     47.70000   1.700000  0.5004692      0.9693896     
1 1 1 5  5  13 o 12.23558  0.1732629     60.00000   1.700000  2.832899       0.9247636     
1 1 1 5  5  14 o 7.802103  0.2397511     24.40000   1.500000  3.196839       1.156594      
1 1 1 5  5  15 o 4.675588  0.6006595     8.900000   2.200000  2.371481       2.754177      
1 1 1 5  5  16 o 6.323331  0.4365417     16.10000   2.200000  0.5583477      2.185097      
1 1 1 5  5  17 x ?         ?             ?          ?         -0.6402063E-01 3.012480      
1 1 1 5  6  0  o 49.92874  0.3497087     999.7000   14.00000  -0.000000      0.000000      
1 1 1 5  6  1  o 27.23006  0.1831861     297.3000   4.000000  0.9542694      0.8501623     
1 1 1 5  6  2  o 25.97374  0.1872454     270.5000   3.900000  2.233055       0.8706082     
1 1 1 5  6  3  f 20.32884  0.1717617     165.7000   2.800000  -0.2021332     0.8445517     
1 1 1 5  6  4  o 28.55769  0.2096038     327.0000   4.800000  1.877182       1.048062      
1 1 1 5  6  5  f 36.76274  0.2170967     541.9000   6.400000  0.3132286      1.054150      
1 1 1 5  6  6  o 37.02633  0.2155512     549.7000   6.400000  -0.1680260     1.059031      
1 1 1 5  6  7  o 44.10825  0.2374874     780.1000   8.400000  0.2341766      1.205517      
1 1 1 5  6  8  o 9.747747  0.2430695     38.10000   1.900000  0.5730505      1.295642      
1 1 1 5  6  9  o 25.00959  0.1894777     250.8000   3.800000  0.1561470      0.9328381     
1 1 1 5  6  10 o 14.13345  0.1941134     80.10000   2.200000  -1.261501      0.9151214     
1 1 1 5  6  11 o 15.44742  0.1856748     95.70000   2.300000  1.135126       0.9275866     
1 1 1 5  6  12 f 3.462126  0.6357608     4.900000   1.700000  -1.183227      2.589411      
1 1 1 5  6  13 o 12.78278  0.1951129     65.50000   2.000000  1.097687       1.011938      
1 1 1 5  6  14 o 6.866659  0.2724124     18.90000   1.500000  1.893921       1.415561      
1 1 1 5  6  15 o 4.591335  0.3558702     8.500000   1.300000  0.5586638      2.016392      
1 1 1 5  6  16 x ?         ?             ?          ?         1.969825       3.018823      
1 1 1 5  7  0  o 104.4626  1.742803      4383.500   145.9000  ?              ?             
1 1 1 5  7  1  o 58.27528  0.2824689     1361.700   13.20000  1.089645       1.306892      
1 1 1 5  7  2  o 15.04845  0.2071712     90.80000   2.500000  -1.285425      0.9300447     
1 1 1 5  7  3  o 17.34295  0.1941430     120.6000   2.700000  -0.6532097E-01 0.9305594     
1 1 1 5  7  4  o 23.34395  0.2029973     218.5000   3.800000  0.9789734      0.9495415     
1 1 1 5  7  5  f 17.72693  0.1969725     126.0000   2.800000  -1.847185      0.9365036     
1 1 1 5  7  6  o 11.64776  0.2462444     54.40000   2.300000  -1.968424      1.165693      
1 1 1 5  7  7  o 62.18016  0.3068461     1550.400   15.30000  2.292343       1.592182      
1 1 1 5  7  8  o 15.84729  0.1967280     100.7000   2.500000  1.651800       1.094771      
1 1 1 5  7  9  o 47.28605  0.2610858     896.7000   9.900000  2.091003       1.367035      
1 1 1 5  7  10 o 17.29747  0.1946535     120.0000   2.700000  1.167038       0.9472319     
1 1 1 5  7  11 o 8.268618  0.2865509     27.30000   1.900000  -0.1372204     1.352190      
1 1 1 5  7  12 o 13.07267  0.2098647     68.50000   2.200000  0.8090591      1.051540      
1 1 1 5  7  13 o 4.112863  0.5603552     6.900000   1.800000  1.631691       2.750803      
1 1 1 5  7  14 o 9.710485  0.2440022     37.80000   1.900000  -0.2048807     1.335995      
1 1 1 5  7  15 o 5.747214  0.3929237     13.30000   1.800000  1.191805       2.264508      
1 1 1 5  7  16 x ?         ?             ?          ?         -0.4067163     2.939692      
1 1 1 5  8  0  x ?         ?             ?          ?         ?              ?             
1 1 1 5  8  1  o 24.87492  0.1955167     248.1000   3.900000  0.9626503      0.8985598     
1 1 1 5  8  2  o 23.55135  0.1906197     222.4000   3.600000  -2.149693      0.8931581     
1 1 1 5  8  3  f 33.22025  0.2139701     442.5000   5.700000  -2.295025      0.9960666     
1 1 1 5  8  4  o 59.30926  0.2964679     1410.500   14.10000  -0.6528473E-01 1.335910      
1 1 1 5  8  5  o 37.60056  0.2321586     566.9000   7.000000  -0.1464233     1.064691      
1 1 1 5  8  6  o 14.83108  0.2186158     88.20000   2.600000  0.7630615      1.077079      
1 1 1 5  8  7  o 24.08983  0.1967120     232.7000   3.800000  -3.035770      1.045140      
1 1 1 5  8  8  o 3.532573  0.7301576     5.200000   2.000000  0.4462643      2.905925      
1 1 1 5  8  9  o 8.485419  0.3086221     28.90000   2.100000  0.3259144      1.711621      
1 1 1 5  8  10 o 4.153241  0.6194603     7.000000   2.000000  1.283048       2.819486      
1 1 1 5  8  11 o 6.597849  0.3987895     17.50000   2.100000  -4.192658      2.162635      
1 1 1 5  8  12 o 13.06262  0.2291195     68.40000   2.400000  1.479416       1.146293      
1 1 1 5  8  13 o 2.266682  0.8351904     1.600000   2.000000  0.6923389      2.788695      
1 1 1 5  8  14 o 6.928980  0.3793883     19.30000   2.100000  1.070374       1.876000      
1 1 1 5  8  15 x ?         ?             ?          ?         -1.482664      2.774124      
1 1 1 5  9  0  o 5.420138  0.7839331     12.50000   3.200000  0.000000       0.000000      
1 1 1 5  9  1  o 8.356099  0.3283222     28.00000   2.200000  3.521484       1.664336      
1 1 1 5  9  2  o 56.30380  0.2835002     1271.200   12.80000  -0.4273682     1.302939      
1 1 1 5  9  3  o 20.40189  0.1955963     166.9000   3.200000  0.5962143      0.9319488     
1 1 1 5  9  4  o 25.42956  0.2059641     259.3000   4.200000  0.6601486      0.9559162     
1 1 1 5  9  5  o 21.91595  0.2048440     192.6000   3.600000  0.6011772      0.9457451     
1 1 1 5  9  6  o 16.91966  0.2063704     114.8000   2.800000  1.108694       0.9797981     
1 1 1 5  9  7  o 19.48700  0.2047793     152.3000   3.200000  0.4782867      1.017392      
1 1 1 5  9  8  o 9.457467  0.3032732     36.00000   2.300000  0.9892101      1.628254      
1 1 1 5  9  9  o 7.949612  0.3451103     25.30000   2.200000  1.735467       1.952831      
1 1 1 5  9  10 o 10.65498  0.2691883     45.50000   2.300000  1.016262       1.445286      
1 1 1 5  9  11 o 3.839228  0.7414393     6.100000   2.200000  4.862801       2.751789      
1 1 1 5  9  12 o 4.217295  0.6731698     7.300000   2.200000  -1.231549      2.813899      
1 1 1 5  9  13 o 5.284575  0.5261462     11.30000   2.200000  -0.4498100     2.931508      
1 1 1 5  9  14 x ?         ?             ?          ?         0.5638056      3.022963      
1 1 1 5  10 0  o 20.31492  0.3009380     165.6000   4.900000  0.000000       0.000000      
1 1 1 5  10 1  o 9.643810  0.3103442     37.30000   2.400000  -2.692904      1.487300      
1 1 1 5  10 2  o 29.19939  0.2092683     341.9000   4.900000  -0.8554382     0.9793788     
1 1 1 5  10 3  o 17.14632  0.2181883     117.9000   3.000000  -0.7034435     0.9946092     
1 1 1 5  10 4  o 8.917009  0.3356395     31.90000   2.400000  -1.827953      1.521852      
1 1 1 5  10 5  o 21.53987  0.2026310     186.1000   3.500000  -0.8618507     1.006591      
1 1 1 5  10 6  o 12.13433  0.2466475     59.20000   2.400000  -1.227192      1.280248      
1 1 1 5  10 7  o 12.32252  0.2631206     60.80000   2.600000  -0.1926384     1.301593      
1 1 1 5  10 8  o 22.04558  0.2092961     194.8000   3.700000  -0.1721230     0.9998248     
1 1 1 5  10 9  o 6.763794  0.4262315     18.40000   2.300000  -1.223007      3.027223      
1 1 1 5  10 10 o 6.593189  0.4567526     17.50000   2.400000  1.979513       2.849120      
1 1 1 5  10 11 o 8.177337  0.3659995     26.80000   2.400000  2.471145       1.890829      
1 1 1 5  10 12 o 9.250639  0.3370151     34.30000   2.500000  3.714175       1.875747      
1 1 1 5  10 13 x ?         ?             ?          ?         -0.4168358     1.910983      
1 1 1 5  11 0  o 2.053328  1.190315      2.100000   3.200000  0.000000       0.000000      
1 1 1 5  11 1  o 22.54108  0.2102277     203.9000   3.800000  -2.177170      0.9574487     
1 1 1 5  11 2  o 10.56465  0.3069017     44.90000   2.600000  0.4562721      1.473956      
1 1 1 5  11 3  o 20.89911  0.2148107     176.7000   3.600000  -0.7244415     0.9707606     
1 1 1 5  11 4  o 8.415002  0.3556625     28.30000   2.400000  -3.163957      1.739126      
1 1 1 5  11 5  o 14.33155  0.2349372     82.30000   2.700000  2.862776       1.156655      
1 1 1 5  11 6  o 7.616895  0.3942798     23.30000   2.400000  3.824934       2.145665      
1 1 1 5  11 7  o 2.776844  0.9225671     2.900000   2.400000  -6.966818      2.290603      
1 1 1 5  11 8  o 2.205082  0.8740968     1.000000   2.300000  1.273365       3.062942      
1 1 1 5  11 9  o 4.776194  0.6429645     9.300000   2.400000  -1.232752      3.082308      
1 1 1 5  11 10 o 4.085859  0.7604885     6.900000   2.400000  2.550997       3.215052      
1 1 1 5  11 11 x ?         ?             ?          ?         -1.439329      3.057122      
1 1 1 5  11 12 x ?         ?             ?          ?         -0.6932497     3.085653      
1 1 1 5  12 0  o 10.61688  0.4481580     45.40000   3.800000  -0.000000      0.000000      
1 1 1 5  12 1  o 2.706526  0.9580973     2.500000   2.600000  -1.649753      3.009996      
1 1 1 5  12 2  f 10.02925  0.3357192     40.30000   2.700000  0.3276443      1.504561      
1 1 1 5  12 3  o 3.210452  0.9223046     4.200000   2.500000  2.926262       3.010409      
1 1 1 5  12 4  o 10.77180  0.3125766     46.50000   2.700000  -0.2928104     1.324422      
1 1 1 5  12 5  o 9.464663  0.3293942     35.90000   2.500000  1.193209       1.732431      
1 1 1 5  12 6  o 3.438195  0.8972371     4.900000   2.500000  1.769210       3.040641      
1 1 1 5  12 7  o 3.077507  0.9324638     3.800000   2.500000  -3.325357      2.926218      
1 1 1 5  12 8  o 7.929702  0.3931553     25.20000   2.500000  -0.5999451     2.188022      
1 1 1 5  12 9  o 2.035279  0.8682461     -0.1000000 2.500000  -0.7924747E-01 2.999052      
1 1 1 5  12 10 x ?         ?             ?          ?         -2.210248      3.126450      
1 1 1 5  13 0  o 1.882223  1.180471      0.7000000  3.700000  -0.000000      0.000000      
1 1 1 5  13 1  o 7.396091  0.4574884     22.00000   2.700000  -1.742570      2.350331      
1 1 1 5  13 2  o 2.079201  0.8949910     -0.3000000 2.700000  1.264980       2.858471      
1 1 1 5  13 3  o 2.376613  0.9203406     1.400000   2.500000  0.9827614E-03  3.010849      
1 1 1 5  13 4  o 5.103889  0.6500153     10.60000   2.600000  -0.5084448     3.312326      
1 1 1 5  13 5  o 3.732839  0.8825015     5.800000   2.600000  -0.6383157     3.162487      
1 1 1 5  13 6  o 7.949257  0.4409805     25.40000   2.800000  -1.298539      2.074606      
1 1 1 5  13 7  o 4.973890  0.6959999     10.10000   2.700000  2.196206       3.212698      
1 1 1 5  13 8  x ?         ?             ?          ?         1.126715       3.291914      
1 1 1 5  13 9  x ?         ?             ?          ?         0.7521443      3.066548      
1 1 1 5  14 0  o 8.998089  0.6164369     32.90000   4.400000  -0.000000      0.000000      
1 1 1 5  14 1  o 3.892629  0.9657176     6.300000   3.000000  -0.3293161     3.031616      
1 1 1 5  14 2  o 2.361339  0.9547101     0.9000000  2.800000  -4.023839      3.090860      
1 1 1 5  14 3  o 1.758047  0.8130236     -2.300000  2.700000  0.8804154E-01  2.617897      
1 1 1 5  14 4  x ?         ?             ?          ?         5.757376       2.993764      
1 1 1 5  14 5  x ?         ?             ?          ?         -0.9312720     2.759611      
1 1 1 5  14 6  x ?         ?             ?          ?         -1.746566      3.194275      
1 1 1 5  15 0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 5  15 1  x ?         ?             ?          ?         -1.237866      3.591693      
1 1 1 5  15 2  x ?         ?             ?          ?         0.3321166      3.201456      
1 1 1 6  1  0  o 36.02305  0.2631275     520.4000   7.600000  0.000000       0.000000      
1 1 1 6  1  1  o 81.96217  0.3575490     2693.900   23.50000  -5.391121      2.049479      
1 1 1 6  1  2  o 90.15153  0.3886998     3259.200   28.10000  -1.844620      2.268426      
1 1 1 6  1  3  o 122.9823  0.5282944     6066.000   52.10000  -1.090683      2.926247      
1 1 1 6  1  4  o 55.39654  0.2656320     1230.500   11.80000  -0.7758179     1.511958      
1 1 1 6  1  5  o 153.0240  0.6397220     9391.500   78.50000  -1.379990      3.233922      
1 1 1 6  1  6  o 37.34180  0.1970325     559.1000   5.900000  0.5398026      1.004842      
1 1 1 6  1  7  o 34.57423  0.2344455     479.3000   6.500000  -3.452267      0.9940146     
1 1 1 6  1  8  o 47.91634  0.2342286     920.6000   9.000000  -1.717529      1.174357      
1 1 1 6  1  9  o 15.01536  0.1661022     90.40000   2.000000  0.1056328      0.8349236     
1 1 1 6  1  10 o 64.33607  0.2985020     1659.700   15.40000  2.429688       1.726696      
1 1 1 6  1  11 o 22.57821  0.1656963     204.4000   3.000000  -0.8645744     1.032708      
1 1 1 6  1  12 o 39.88849  0.2094634     638.0000   6.700000  3.996346       1.048731      
1 1 1 6  1  13 o 7.008650  0.2313077     19.70000   1.300000  3.020636       1.537652      
1 1 1 6  1  14 o ?         ?             21.40000   1.200000  0.4097786      1.362189      
1 1 1 6  1  15 o 7.991818  0.2340598     25.60000   1.500000  3.879336       1.189187      
1 1 1 6  1  16 o 3.416174  0.5674717     4.800000   1.500000  0.1856303      2.629776      
1 1 1 6  1  17 o 6.124503  0.4095919     15.10000   2.000000  0.9875679E-01  2.121825      
1 1 1 6  1  18 x ?         ?             ?          ?         0.3475857      2.627115      
1 1 1 6  2  0  o 17.59581  0.2197789     124.2000   3.100000  0.000000       0.000000      
1 1 1 6  2  1  o 69.63105  0.3241580     1944.200   18.10000  -4.196579      1.954064      
1 1 1 6  2  2  o 65.73708  0.3092134     1732.800   16.30000  -1.427673      1.918700      
1 1 1 6  2  3  o 58.27074  0.2782107     1361.500   13.00000  0.6777954      1.554837      
1 1 1 6  2  4  o 87.38924  0.3781543     3062.300   26.50000  -0.2066956     1.967250      
1 1 1 6  2  5  o 84.86650  0.3732317     2888.000   25.40000  -3.262161      1.967293      
1 1 1 6  2  6  o 37.62792  0.1988484     567.7000   6.000000  1.875053       1.027907      
1 1 1 6  2  7  o 117.3445  1.913957      5533.000   180.1000  ?              ?             
1 1 1 6  2  8  o 216.4015  0.8574795     18785.40   148.8000  1.963867       4.512042      
1 1 1 6  2  9  o 67.15810  0.3175256     1808.500   17.10000  1.703949       1.598961      
1 1 1 6  2  10 o 47.91582  0.2472440     920.6000   9.500000  3.072418       1.398053      
1 1 1 6  2  11 o 27.18383  0.1880851     296.3000   4.100000  2.945873       1.061327      
1 1 1 6  2  12 o 14.02742  0.1689105     78.90000   1.900000  0.3576164      1.035176      
1 1 1 6  2  13 o 22.16871  0.1800075     197.1000   3.200000  1.703056       0.8118047     
1 1 1 6  2  14 o 14.16350  0.1672877     80.40000   1.900000  1.713491       0.7808642     
1 1 1 6  2  15 o 5.952011  0.2514193     14.20000   1.200000  89.34332       0.2045721E-01 
1 1 1 6  2  16 o 5.993705  0.2912821     14.40000   1.400000  2.208002       1.603709      
1 1 1 6  2  17 o 6.210065  0.3224048     15.50000   1.600000  1.422324       3.098732      
1 1 1 6  2  18 x ?         ?             ?          ?         1.308182       3.101865      
1 1 1 6  3  0  o 37.39500  0.2901654     560.8000   8.700000  0.000000       0.000000      
1 1 1 6  3  1  o 124.0855  0.5185728     6174.700   51.60000  -2.611908      2.751839      
1 1 1 6  3  2  o 21.88276  0.1652635     192.0000   2.900000  -0.2628860     0.9649158     
1 1 1 6  3  3  f 31.23960  0.1916094     391.3000   4.800000  0.8206902      1.094649      
1 1 1 6  3  4  f 68.63503  0.3379467     1888.900   18.60000  1.002365       1.855090      
1 1 1 6  3  5  o 133.0291  0.5933869     7096.900   63.30000  -1.667175      2.875362      
1 1 1 6  3  6  o 85.45472  0.3910928     2928.200   26.80000  1.239517       1.977642      
1 1 1 6  3  7  o 131.8748  0.5929072     6974.500   62.70000  1.332169       2.877668      
1 1 1 6  3  8  o 121.1176  0.5456945     5883.000   53.00000  1.759232       2.683331      
1 1 1 6  3  9  o 43.29213  0.2419644     751.5000   8.400000  -0.4903488     1.371964      
1 1 1 6  3  10 o 61.71550  0.3071358     1527.300   15.20000  3.043518       1.793568      
1 1 1 6  3  11 o 33.52220  0.2083227     450.6000   5.600000  1.699337       1.204277      
1 1 1 6  3  12 o 11.96405  0.1876184     57.40000   1.800000  0.5995007      0.9296818     
1 1 1 6  3  13 o 10.72967  0.1975804     46.30000   1.700000  3.649487       1.062145      
1 1 1 6  3  14 o 5.084738  0.3204671     10.40000   1.300000  0.2695370E-01  1.552740      
1 1 1 6  3  15 o 11.16787  0.1898277     50.00000   1.700000  2.776482       0.8260414     
1 1 1 6  3  16 o 5.498735  0.4577328     12.20000   2.000000  1.786368       2.402178      
1 1 1 6  3  17 x ?         ?             ?          ?         -0.9536822     2.608794      
1 1 1 6  4  0  o 49.14681  0.4060434     968.7000   16.00000  0.000000       0.000000      
1 1 1 6  4  1  o 80.12640  0.3781914     2574.400   24.30000  -2.410538      1.946902      
1 1 1 6  4  2  o 26.03613  0.1772174     271.8000   3.700000  2.289680       0.9054248     
1 1 1 6  4  3  o 77.01138  0.3578644     2378.100   22.10000  1.343811       1.829582      
1 1 1 6  4  4  o 55.33616  0.2862040     1227.800   12.70000  -0.8959961     1.499634      
1 1 1 6  4  5  o 81.89778  0.3761022     2689.500   24.70000  -2.056351      1.884053      
1 1 1 6  4  6  o 55.35409  0.2771000     1228.600   12.30000  1.677681       1.287595      
1 1 1 6  4  7  o 56.18781  0.2863048     1265.900   12.90000  -0.7337189     1.352157      
1 1 1 6  4  8  o 42.16568  0.2395560     712.9000   8.100000  -0.6205444     1.108082      
1 1 1 6  4  9  o 66.71906  0.3289606     1785.000   17.60000  2.094208       1.665263      
1 1 1 6  4  10 o 10.53452  0.2367534     44.50000   2.000000  -3.234945      1.190789      
1 1 1 6  4  11 f 24.60670  0.1925800     242.8000   3.800000  1.179813       0.9797381     
1 1 1 6  4  12 o 15.74220  0.1821979     99.40000   2.300000  2.758984       0.9498563     
1 1 1 6  4  13 o 5.903617  0.3394020     14.00000   1.600000  3.012566       1.811427      
1 1 1 6  4  14 o 3.185863  0.6093498     4.200000   1.500000  1.531583       1.685196      
1 1 1 6  4  15 o 6.027255  0.3114145     14.60000   1.500000  1.089469       1.412347      
1 1 1 6  4  16 o 3.738385  0.7597718     5.800000   2.200000  1.660117       2.870462      
1 1 1 6  4  17 x ?         ?             ?          ?         2.496669       2.813848      
1 1 1 6  5  0  o 122.7169  0.8455635     6040.200   83.20000  0.000000       0.000000      
1 1 1 6  5  1  o 90.32323  0.4210964     3271.400   30.50000  0.8117676E-02  2.103512      
1 1 1 6  5  2  o 37.95446  0.2168514     577.6000   6.600000  -0.5417099     1.088060      
1 1 1 6  5  3  f 32.09018  0.2059609     412.9000   5.300000  1.068615       1.046933      
1 1 1 6  5  4  o 53.61229  0.2837766     1152.500   12.20000  0.3794098E-01  1.472096      
1 1 1 6  5  5  f 24.90509  0.1852655     248.7000   3.700000  -0.9974442     0.9599937     
1 1 1 6  5  6  o 36.40822  0.2157854     531.5000   6.300000  -2.483906      1.089175      
1 1 1 6  5  7  o 59.36200  0.3067082     1413.000   14.60000  0.8875504      1.552500      
1 1 1 6  5  8  o 12.78099  0.2244112     65.50000   2.300000  -1.035128      1.006117      
1 1 1 6  5  9  o 22.46157  0.1943162     202.3000   3.500000  1.147125       0.9712776     
1 1 1 6  5  10 o 16.27395  0.1992331     106.2000   2.600000  0.4003220      0.9952937     
1 1 1 6  5  11 o 10.63885  0.2344317     45.40000   2.000000  2.447762       1.144568      
1 1 1 6  5  12 f 11.24201  0.2107611     50.60000   1.900000  -0.3280163     1.111842      
1 1 1 6  5  13 o 9.749588  0.2302329     38.10000   1.800000  1.197761       1.192050      
1 1 1 6  5  14 o 5.684455  0.3527457     13.00000   1.600000  -1.197457      2.039677      
1 1 1 6  5  15 o 9.606905  0.2076910     37.00000   1.600000  3.106025       1.215198      
1 1 1 6  5  16 x ?         ?             ?          ?         0.1870022      2.409902      
1 1 1 6  6  0  o 60.60233  0.4589366     1472.900   22.30000  0.000000       0.000000      
1 1 1 6  6  1  o 107.4386  0.4793698     4628.900   41.30000  1.406296       2.310189      
1 1 1 6  6  2  o 29.84729  0.2047257     357.2000   4.900000  0.4733238      0.9893768     
1 1 1 6  6  3  o 72.38355  0.3376737     2100.900   19.60000  -0.7897568     1.670349      
1 1 1 6  6  4  o 9.862277  0.2528913     39.00000   2.000000  -1.683440      1.238406      
1 1 1 6  6  5  o 17.26366  0.1878112     119.5000   2.600000  -0.7684040     0.9060856     
1 1 1 6  6  6  o 17.06749  0.1899699     116.8000   2.600000  -0.2856560     0.9277598     
1 1 1 6  6  7  o 39.07401  0.2329786     612.2000   7.300000  -2.414886      1.117424      
1 1 1 6  6  8  o 27.95238  0.2096815     313.3000   4.700000  1.404808       1.103345      
1 1 1 6  6  9  o 17.02281  0.2051200     116.2000   2.800000  -0.9498310     0.9893499     
1 1 1 6  6  10 o 5.914935  0.3815275     14.10000   1.800000  2.971255       1.810837      
1 1 1 6  6  11 o 15.06875  0.2068921     90.70000   2.500000  -0.2538433     1.003318      
1 1 1 6  6  12 o 9.197440  0.2711715     33.90000   2.000000  0.3787804      1.315500      
1 1 1 6  6  13 o 12.21379  0.2246225     59.80000   2.200000  -0.2283497     1.178159      
1 1 1 6  6  14 o 5.960067  0.3998594     14.30000   1.900000  1.291534       2.196939      
1 1 1 6  6  15 o 6.126894  0.3680713     15.10000   1.800000  1.502020       2.061743      
1 1 1 6  6  16 x ?         ?             ?          ?         -0.3096910     2.608345      
1 1 1 6  7  0  o 5.767193  0.6239443     13.80000   2.800000  0.000000       0.000000      
1 1 1 6  7  1  o 20.58476  0.1878006     169.9000   3.100000  -1.557018      0.8932349     
1 1 1 6  7  2  o 12.77124  0.2441114     65.40000   2.500000  -1.182798      1.150865      
1 1 1 6  7  3  o 3.392545  0.7546538     4.800000   2.000000  -1.634420      2.611849      
1 1 1 6  7  4  o 28.89175  0.2114965     334.7000   4.900000  -2.261837      0.9876876     
1 1 1 6  7  5  o 36.08439  0.2246338     522.1000   6.500000  -0.5507240     1.097597      
1 1 1 6  7  6  o 24.66311  0.2022522     243.9000   4.000000  -0.2836609     1.002212      
1 1 1 6  7  7  o 15.43257  0.2020147     95.50000   2.500000  0.7370758E-01  0.9652152     
1 1 1 6  7  8  o 17.06646  0.2045953     116.8000   2.800000  0.3827381      0.9491406     
1 1 1 6  7  9  o 8.718338  0.3003770     30.50000   2.100000  2.142782       1.612232      
1 1 1 6  7  10 o 8.103740  0.3231580     26.20000   2.100000  -0.6134052     1.566828      
1 1 1 6  7  11 o 9.088910  0.3018505     33.10000   2.200000  2.209599       1.408037      
1 1 1 6  7  12 o 1.772545  0.7666133     -0.3000000 2.000000  -0.4755464     2.637287      
1 1 1 6  7  13 o 6.164322  0.4274707     15.30000   2.100000  0.3307867      2.040433      
1 1 1 6  7  14 o 1.837887  0.7801023     0.000000   2.000000  0.1126375      2.724758      
1 1 1 6  7  15 x ?         ?             ?          ?         0.1558967      2.607230      
1 1 1 6  8  0  o 8.331975  0.4673374     28.10000   3.100000  0.000000       0.000000      
1 1 1 6  8  1  o 19.93209  0.2002065     159.3000   3.200000  0.8053589E-01  0.9111504     
1 1 1 6  8  2  o 28.26324  0.2073753     320.3000   4.700000  0.4276352      0.9629394     
1 1 1 6  8  3  o 32.61755  0.2141005     426.6000   5.600000  -0.6876602     0.9944294     
1 1 1 6  8  4  o 18.73870  0.2129568     140.8000   3.200000  0.6983891      1.024747      
1 1 1 6  8  5  o 12.23206  0.2548716     60.00000   2.500000  -2.991997      1.212143      
1 1 1 6  8  6  o 17.11029  0.2113594     117.4000   2.900000  -2.076654      1.056957      
1 1 1 6  8  7  o 6.795729  0.4055570     18.60000   2.200000  -4.676129      2.518935      
1 1 1 6  8  8  o 4.820611  0.5532711     9.500000   2.100000  5.542479       2.584821      
1 1 1 6  8  9  o 5.751325  0.4814481     13.30000   2.200000  3.035926       2.399202      
1 1 1 6  8  10 o 4.132645  0.6555688     7.000000   2.100000  -0.5345368     3.049238      
1 1 1 6  8  11 o 8.253633  0.3475072     27.30000   2.300000  0.4350319      1.702801      
1 1 1 6  8  12 o 5.334549  0.4966162     11.50000   2.100000  -0.4989719     2.592649      
1 1 1 6  8  13 o 6.927184  0.4159765     19.30000   2.300000  -1.077510      2.218811      
1 1 1 6  8  14 x ?         ?             ?          ?         -1.685149      2.064447      
1 1 1 6  9  0  o 8.796642  0.4709021     31.30000   3.300000  -0.000000      0.000000      
1 1 1 6  9  1  o 9.274961  0.3092408     34.50000   2.300000  -0.2816200E-02 1.491761      
1 1 1 6  9  2  o 23.36971  0.2027736     219.0000   3.800000  1.143398       0.9305536     
1 1 1 6  9  3  o 10.70971  0.2794569     46.00000   2.400000  -0.4215622E-01 1.278462      
1 1 1 6  9  4  o 10.13507  0.2829973     41.20000   2.300000  -0.9374485     1.356246      
1 1 1 6  9  5  o 13.33249  0.2525420     71.30000   2.700000  0.4983196      1.163153      
1 1 1 6  9  6  o 8.910904  0.3358695     31.90000   2.400000  0.3260145      1.654399      
1 1 1 6  9  7  o 6.062963  0.4558364     14.70000   2.200000  -0.9569731     2.344964      
1 1 1 6  9  8  o 7.789670  0.3682051     24.30000   2.300000  -2.297821      2.053380      
1 1 1 6  9  9  o 10.30997  0.2902920     42.60000   2.400000  3.072271       1.383898      
1 1 1 6  9  10 f 6.855105  0.4204334     18.90000   2.300000  -0.4399996     2.209423      
1 1 1 6  9  11 o 2.905559  0.8734682     3.400000   2.200000  0.7003288      3.118069      
1 1 1 6  9  12 o 6.477545  0.4651395     16.90000   2.400000  -0.7877741     2.578261      
1 1 1 6  9  13 x ?         ?             ?          ?         0.7779665      2.849234      
1 1 1 6  10 0  o 8.391613  0.5248252     28.60000   3.500000  0.000000       0.000000      
1 1 1 6  10 1  o 1.897899  0.8121840     -0.1000000 2.200000  0.9420567      2.662776      
1 1 1 6  10 2  o 16.10777  0.2245141     104.1000   2.900000  -0.1840706     1.024117      
1 1 1 6  10 3  o 13.41664  0.2416633     72.30000   2.600000  0.9937878      1.094708      
1 1 1 6  10 4  o 5.375613  0.5409020     7.400000   2.300000  0.9083242      2.875983      
1 1 1 6  10 5  o 5.858084  0.4942284     13.80000   2.300000  -1.873938      2.416951      
1 1 1 6  10 6  o 14.69178  0.2461528     86.50000   2.900000  0.7087669      1.301521      
1 1 1 6  10 7  o 6.650306  0.4718544     17.80000   2.500000  -1.013739      2.181938      
1 1 1 6  10 8  o 5.401400  0.5381756     11.80000   2.300000  -1.215658      2.641586      
1 1 1 6  10 9  o 13.15796  0.2653693     69.40000   2.800000  1.942739       1.354606      
1 1 1 6  10 10 o 6.220894  0.4849353     15.60000   2.400000  4.828717       2.852157      
1 1 1 6  10 11 o 4.718328  0.6804110     9.100000   2.500000  1.074907       3.285080      
1 1 1 6  10 12 x ?         ?             ?          ?         1.530789       2.853356      
1 1 1 6  11 0  o 2.084038  1.218736      2.000000   3.400000  -0.000000      0.000000      
1 1 1 6  11 1  o 5.355109  0.5920789     11.60000   2.500000  0.9785776      2.644707      
1 1 1 6  11 2  o 21.64682  0.2189125     187.8000   3.800000  -0.1120148     0.9889554     
1 1 1 6  11 3  o 12.24640  0.2749389     60.10000   2.700000  0.3962193      1.256453      
1 1 1 6  11 4  o 17.07796  0.2409677     116.9000   3.300000  0.5486012      1.043461      
1 1 1 6  11 5  o 3.604417  0.8739741     5.400000   2.500000  0.4762375      2.531101      
1 1 1 6  11 6  o 2.396648  0.9083015     1.600000   2.400000  2.051229       2.938861      
1 1 1 6  11 7  o 5.627190  0.5384374     12.80000   2.400000  -0.1801739     2.639391      
1 1 1 6  11 8  o 5.416726  0.6091399     11.90000   2.600000  -1.266901      3.094361      
1 1 1 6  11 9  o 2.534615  0.9337927     2.000000   2.500000  -3.156525      2.979590      
1 1 1 6  11 10 x ?         ?             ?          ?         0.2188587E-01  3.335974      
1 1 1 6  11 11 x ?         ?             ?          ?         -1.935352      2.989802      
1 1 1 6  12 0  o 13.35595  0.4117127     71.70000   4.400000  -0.000000      0.000000      
1 1 1 6  12 1  o 3.229550  0.9669232     4.200000   2.700000  0.3605452      2.906665      
1 1 1 6  12 2  o 10.70172  0.3262762     45.90000   2.800000  2.921233       1.538369      
1 1 1 6  12 3  o 3.077987  0.9324312     3.800000   2.500000  0.5676961      3.031375      
1 1 1 6  12 4  o 5.799588  0.5662839     13.60000   2.600000  1.853498       2.951978      
1 1 1 6  12 5  f 1.770071  0.8049458     -1.600000  2.500000  -0.6497812E-01 3.145906      
1 1 1 6  12 6  o 5.078621  0.6535912     10.50000   2.600000  0.7358971      2.998437      
1 1 1 6  12 7  o 2.118324  0.8839325     0.3000000  2.500000  0.1255121      3.006342      
1 1 1 6  12 8  x ?         ?             ?          ?         -1.096926      3.174178      
1 1 1 6  12 9  x ?         ?             ?          ?         -0.3224225     2.679881      
1 1 1 6  13 0  o 4.268487  1.274907      9.000000   3.800000  0.000000       0.000000      
1 1 1 6  13 1  o 4.194528  0.8612850     7.300000   2.800000  0.7415676E-01  3.185023      
1 1 1 6  13 2  o 5.171437  0.6925891     10.90000   2.800000  -2.370368      3.114988      
1 1 1 6  13 3  o 4.970524  0.7237312     10.10000   2.800000  -0.5818057     3.180934      
1 1 1 6  13 4  o 4.309301  0.8692039     7.700000   2.900000  -4.360093      3.311485      
1 1 1 6  13 5  x ?         ?             ?          ?         3.006759       3.092936      
1 1 1 6  13 6  x ?         ?             ?          ?         -0.9683299     3.012407      
1 1 1 6  13 7  x ?         ?             ?          ?         0.3530793      3.168353      
1 1 1 6  14 0  x ?         ?             ?          ?         -0.000000      0.000000      
1 1 1 6  14 1  x ?         ?             ?          ?         -0.8514910     2.878717      
1 1 1 6  14 2  x ?         ?             ?          ?         0.3528614      3.033673      
1 1 1 6  14 3  x ?         ?             ?          ?         2.637495       3.299077      
1 1 1 6  14 4  x ?         ?             ?          ?         3.006320       3.158592      
1 1 1 7  1  0  o 25.62236  0.2385299     263.3000   4.900000  0.000000       0.000000      
1 1 1 7  1  1  o 102.5260  0.4366582     4215.300   35.90000  3.622391       2.586702      
1 1 1 7  1  2  o 105.5094  0.4550410     4464.200   38.50000  -0.3108215E-01 2.655865      
1 1 1 7  1  3  o 78.28277  0.3456803     2457.300   21.70000  -0.8309174E-01 2.023056      
1 1 1 7  1  4  o 41.06333  0.2247287     676.1000   7.400000  1.000458       1.270208      
1 1 1 7  1  5  o 105.5319  0.4632159     4465.900   39.20000  -1.023300      2.589408      
1 1 1 7  1  6  o 33.67173  0.1962870     454.6000   5.300000  -0.5947342     0.9992782     
1 1 1 7  1  7  o 67.40316  0.3163712     1821.700   17.10000  -0.2402496     1.653866      
1 1 1 7  1  8  o 131.5455  0.5413039     6939.500   57.10000  -1.084579      2.667660      
1 1 1 7  1  9  o 77.75017  0.3448404     2424.000   21.50000  0.3274612      1.706424      
1 1 1 7  1  10 f 94.09193  0.4082060     3550.300   30.80000  0.1376953      2.019424      
1 1 1 7  1  11 o 3.493114  0.5152736     5.000000   1.400000  1.245898       2.521441      
1 1 1 7  1  12 o 13.20309  0.1605663     69.90000   1.700000  2.410425       1.157769      
1 1 1 7  1  13 o 20.00983  0.1620358     160.6000   2.600000  0.9074402      0.8236989     
1 1 1 7  1  14 o 9.503692  0.1968249     36.20000   1.500000  0.5554438      1.348558      
1 1 1 7  1  15 o 6.645161  0.2627263     17.70000   1.400000  0.7344704      1.696887      
1 1 1 7  1  16 o 8.948788  0.2926417     32.10000   2.100000  -0.3188982     1.543618      
1 1 1 7  1  17 o 5.637106  0.4008083     12.80000   1.800000  -2.397452      2.459059      
1 1 1 7  2  0  f 61.12609  0.4162267     1498.400   20.40000  0.000000       0.000000      
1 1 1 7  2  1  o 106.8655  0.4714384     4579.600   40.40000  1.810181       2.908519      
1 1 1 7  2  2  o 44.03223  0.2294011     777.4000   8.100000  1.923485       1.376968      
1 1 1 7  2  3  o 13.26008  0.1786852     70.50000   1.900000  0.5454044      1.038919      
1 1 1 7  2  4  o 86.03519  0.3913530     2968.100   27.00000  0.3304596      2.191088      
1 1 1 7  2  5  o 52.28448  0.2504365     1096.100   10.50000  -1.045815      1.298061      
1 1 1 7  2  6  o 150.5163  0.6139255     9085.700   74.10000  1.799179       3.235481      
1 1 1 7  2  7  o 107.0945  0.4844034     4599.300   41.60000  1.681656       2.368495      
1 1 1 7  2  8  o 98.29188  0.4199440     3874.200   33.10000  2.959595       2.192496      
1 1 1 7  2  9  o 79.81330  0.3546759     2554.400   22.70000  2.390427       1.881422      
1 1 1 7  2  10 o 63.03874  0.2927759     1593.500   14.80000  3.319931       1.545067      
1 1 1 7  2  11 o 8.326263  0.2396353     27.80000   1.600000  1.908759       1.818142      
1 1 1 7  2  12 o 15.50458  0.1689042     96.40000   2.100000  0.8736801      1.176031      
1 1 1 7  2  13 o 15.43896  0.1696221     95.30000   2.100000  1.271166       1.123726      
1 1 1 7  2  14 o 10.51260  0.2016600     44.30000   1.700000  -0.8761768     0.9937184     
1 1 1 7  2  15 o 11.06679  0.1802932     49.10000   1.600000  2.739149       0.9074619     
1 1 1 7  2  16 o 3.707179  0.4823658     5.600000   1.400000  0.7763524      2.242392      
1 1 1 7  2  17 x ?         ?             ?          ?         1.140835       2.205226      
1 1 1 7  3  0  o 22.18319  0.2755524     197.4000   4.900000  0.000000       0.000000      
1 1 1 7  3  1  o 60.63655  0.3372799     1474.300   16.40000  -1.658394      2.265705      
1 1 1 7  3  2  o 51.64607  0.2656052     1069.500   11.00000  -2.440086      1.537965      
1 1 1 7  3  3  o 42.62490  0.2369751     728.5000   8.100000  -0.3134232     1.361000      
1 1 1 7  3  4  o 84.05415  0.3901914     2833.000   26.30000  1.564865       1.986033      
1 1 1 7  3  5  o 18.99048  0.1641667     144.6000   2.500000  -1.061514      0.8859322     
1 1 1 7  3  6  f 75.03791  0.3456716     2257.800   20.80000  1.725777       1.810309      
1 1 1 7  3  7  o 20.69961  0.1747097     171.8000   2.900000  -0.9925308     0.9133978     
1 1 1 7  3  8  f 89.32329  0.4062650     3199.500   29.10000  -0.3698730E-01 2.085843      
1 1 1 7  3  9  o 53.72528  0.2738952     1157.400   11.80000  1.380875       1.400785      
1 1 1 7  3  10 o 50.35520  0.2674610     1016.800   10.80000  1.458549       1.391248      
1 1 1 7  3  11 o 16.40360  0.1824539     107.9000   2.400000  1.690855       1.089119      
1 1 1 7  3  12 o 8.859072  0.2533759     31.50000   1.800000  0.3734322      1.546091      
1 1 1 7  3  13 o 5.794964  0.3677349     13.50000   1.700000  -1.027588      1.961274      
1 1 1 7  3  14 o 13.13845  0.1898310     69.20000   2.000000  2.149912       1.011383      
1 1 1 7  3  15 o 8.297556  0.2404644     27.60000   1.600000  3.329889       1.097472      
1 1 1 7  3  16 o 2.727450  0.6494315     3.100000   1.400000  -2.141175      2.133381      
1 1 1 7  3  17 x ?         ?             ?          ?         1.364365       0.9599978     
1 1 1 7  4  0  o 21.24803  0.2524463     181.1000   4.300000  0.000000       0.000000      
1 1 1 7  4  1  o 81.87357  0.3731672     2687.900   24.50000  -1.373169      1.973788      
1 1 1 7  4  2  o 68.83640  0.3242769     1900.000   17.90000  2.741966       1.690473      
1 1 1 7  4  3  o 31.26750  0.1954267     392.0000   4.900000  -2.623283      1.026924      
1 1 1 7  4  4  o 39.02346  0.2364760     610.6000   7.400000  -0.2212753     1.225090      
1 1 1 7  4  5  o 67.13195  0.3325101     1807.100   17.90000  -0.3867111     1.660090      
1 1 1 7  4  6  o 41.01447  0.2371585     674.5000   7.800000  -1.574699      1.086647      
1 1 1 7  4  7  o 72.70574  0.3498988     2119.700   20.40000  -2.694420      1.639039      
1 1 1 7  4  8  o 63.87957  0.3201570     1636.300   16.40000  -0.6640930     1.503933      
1 1 1 7  4  9  o 14.77211  0.2110466     87.50000   2.500000  2.779978       0.9936751     
1 1 1 7  4  10 o 16.29692  0.1913002     106.5000   2.500000  1.181692       0.9586044     
1 1 1 7  4  11 o 11.30897  0.2205404     51.30000   2.000000  1.548010       1.100624      
1 1 1 7  4  12 o 9.376543  0.2526922     35.20000   1.900000  -0.4960051     1.301176      
1 1 1 7  4  13 o 13.06267  0.2004787     68.40000   2.100000  0.5275745      0.9980967     
1 1 1 7  4  14 o 19.37540  0.1866502     150.5000   2.900000  4.624027       0.9445497     
1 1 1 7  4  15 o 11.86103  0.2102755     56.40000   2.000000  3.398029       1.057047      
1 1 1 7  4  16 x ?         ?             ?          ?         1.367215       2.120266      
1 1 1 7  5  0  o 25.15488  0.2677709     253.8000   5.400000  0.000000       0.000000      
1 1 1 7  5  1  o 56.36963  0.2853814     1274.100   12.90000  0.8374634      1.494240      
1 1 1 7  5  2  o 59.46533  0.3061753     1417.900   14.60000  0.5767517      1.594399      
1 1 1 7  5  3  o 57.05322  0.2928908     1305.200   13.40000  2.105339       1.493937      
1 1 1 7  5  4  o 51.61177  0.2754464     1068.100   11.40000  1.686501       1.405500      
1 1 1 7  5  5  f 31.45021  0.2101519     396.6000   5.300000  0.7601891      1.070622      
1 1 1 7  5  6  o 40.40776  0.2407193     654.7000   7.800000  0.4245453      1.228280      
1 1 1 7  5  7  o 59.74613  0.3109980     1431.400   14.90000  1.218300       1.459320      
1 1 1 7  5  8  o 46.86417  0.2687581     880.7000   10.10000  -0.9764862E-01 1.265864      
1 1 1 7  5  9  o 12.16033  0.2358651     59.30000   2.300000  1.858036       1.077199      
1 1 1 7  5  10 o 17.10171  0.1968816     117.3000   2.700000  0.3587837      0.9761476     
1 1 1 7  5  11 o 18.71285  0.2065870     140.1000   3.100000  1.282610       1.018199      
1 1 1 7  5  12 o 6.913507  0.3620141     19.20000   2.000000  1.638182       1.847874      
1 1 1 7  5  13 o 9.876407  0.2525295     39.10000   2.000000  4.117805       1.268933      
1 1 1 7  5  14 o 11.33429  0.2310499     51.50000   2.100000  -0.8672333     1.195152      
1 1 1 7  5  15 o 4.794075  0.4744468     9.300000   1.800000  -0.7823033     2.647243      
1 1 1 7  5  16 x ?         ?             ?          ?         2.324697       2.773396      
1 1 1 7  6  0  o 44.88502  0.3806892     808.0000   13.70000  0.000000       0.000000      
1 1 1 7  6  1  o 14.89845  0.2259975     89.00000   2.700000  -1.598448      1.210311      
1 1 1 7  6  2  o 43.35246  0.2531337     753.6000   8.800000  0.8927689      1.339547      
1 1 1 7  6  3  o 18.19201  0.2262113     132.7000   3.300000  -0.9378605     1.157992      
1 1 1 7  6  4  o 30.27430  0.2183146     367.5000   5.300000  -0.5728836     1.114834      
1 1 1 7  6  5  o 44.11603  0.2628861     780.4000   9.300000  -1.656906      1.344411      
1 1 1 7  6  6  o 12.59400  0.2475469     63.60000   2.500000  0.5074596      1.275230      
1 1 1 7  6  7  o 26.89732  0.2086337     290.1000   4.500000  -2.764015      1.049597      
1 1 1 7  6  8  o 15.87797  0.2120556     101.1000   2.700000  0.2453041E-01  0.8833616     
1 1 1 7  6  9  o 13.11538  0.2281978     69.00000   2.400000  0.2591133      1.150854      
1 1 1 7  6  10 o 2.634480  0.8398610     2.600000   2.000000  -3.497297      2.485150      
1 1 1 7  6  11 o 10.89851  0.2631733     47.60000   2.300000  3.476440       1.303966      
1 1 1 7  6  12 o 10.78237  0.2660080     46.60000   2.300000  2.060795       1.366812      
1 1 1 7  6  13 o 10.67727  0.2569471     45.70000   2.200000  4.039048       1.285643      
1 1 1 7  6  14 o 10.57156  0.2713126     44.80000   2.300000  0.1394520      1.364292      
1 1 1 7  6  15 x ?         ?             ?          ?         1.064821       2.730872      
1 1 1 7  7  0  o 3.143666  1.263563      5.500000   3.100000  0.000000       0.000000      
1 1 1 7  7  1  o 29.41340  0.2204647     346.9000   5.200000  -1.269142      1.099373      
1 1 1 7  7  2  o 17.45015  0.2286820     122.1000   3.200000  -0.6191845     1.135550      
1 1 1 7  7  3  o 43.65540  0.2599468     764.2000   9.100000  -1.337502      1.341686      
1 1 1 7  7  4  o 15.44867  0.2340928     95.70000   2.900000  -1.216991      1.207335      
1 1 1 7  7  5  o 14.64474  0.2213974     86.00000   2.600000  -0.3334675     1.143213      
1 1 1 7  7  6  o 16.59243  0.2104404     110.4000   2.800000  -1.302525      1.015277      
1 1 1 7  7  7  o 5.111749  0.5195277     10.60000   2.100000  -1.910436      2.633766      
1 1 1 7  7  8  o 6.150879  0.4491375     15.30000   2.200000  1.308532       2.411266      
1 1 1 7  7  9  o 9.039655  0.3034953     32.70000   2.200000  -1.523845      1.610562      
1 1 1 7  7  10 o 8.653089  0.3314651     30.00000   2.300000  1.598139       1.760482      
1 1 1 7  7  11 o 1.798684  0.7817233     -0.4000000 2.100000  1.152881       2.684264      
1 1 1 7  7  12 o 3.738956  0.7596687     5.800000   2.200000  -0.4454565     2.993937      
1 1 1 7  7  13 o 2.389163  0.8766128     1.800000   2.200000  1.084238       2.518173      
1 1 1 7  7  14 x ?         ?             ?          ?         1.850004       1.374545      
1 1 1 7  8  0  o 6.308605  0.6714539     16.50000   3.300000  0.000000       0.000000      
1 1 1 7  8  1  o 37.21917  0.2479397     555.5000   7.400000  1.666557       1.237638      
1 1 1 7  8  2  o 11.37618  0.2740466     51.90000   2.500000  -0.4725323     1.321022      
1 1 1 7  8  3  o 32.59674  0.2371912     426.1000   6.200000  -0.6541939     1.131519      
1 1 1 7  8  4  o 10.31817  0.2779754     42.70000   2.300000  -1.639442      1.389905      
1 1 1 7  8  5  o 13.74749  0.2267764     75.80000   2.500000  -1.514822      1.152270      
1 1 1 7  8  6  o 16.50496  0.2266667     109.3000   3.000000  -3.067154      1.108755      
1 1 1 7  8  7  o 7.280181  0.3954568     21.00000   2.300000  1.733747       2.167885      
1 1 1 7  8  8  o 2.677299  0.8829941     2.700000   2.200000  -0.7663407     2.904692      
1 1 1 7  8  9  o 9.673546  0.3093902     37.50000   2.400000  2.519501       1.674720      
1 1 1 7  8  10 o 8.565149  0.3494278     29.40000   2.400000  -0.4724855     1.720102      
1 1 1 7  8  11 o 5.804893  0.4989489     13.60000   2.300000  -0.8445187     2.645440      
1 1 1 7  8  12 o 6.573595  0.4581559     17.40000   2.400000  3.132509       2.649553      
1 1 1 7  8  13 x ?         ?             ?          ?         2.191908       2.684545      
1 1 1 7  9  0  o 1.881888  1.158332      1.100000   3.400000  -0.000000      0.000000      
1 1 1 7  9  1  o 24.12831  0.2067350     233.5000   4.000000  -0.3792419     0.9649134     
1 1 1 7  9  2  o 10.36336  0.3008295     43.10000   2.500000  1.945329       1.501078      
1 1 1 7  9  3  o 13.56960  0.2481291     73.90000   2.700000  0.2801876      1.175287      
1 1 1 7  9  4  f 19.79283  0.2205166     157.7000   3.500000  -0.6764717     1.013247      
1 1 1 7  9  5  o 4.442615  0.6661458     8.000000   2.300000  0.2002387      3.016243      
1 1 1 7  9  6  o 12.01105  0.2699439     57.80000   2.600000  -0.7664719     1.404086      
1 1 1 7  9  7  o 6.764602  0.4261796     18.40000   2.300000  -1.409024      2.153891      
1 1 1 7  9  8  f 10.81743  0.2882020     46.90000   2.500000  -0.7081776     1.580288      
1 1 1 7  9  9  o 10.08940  0.3213579     40.80000   2.600000  1.568297       1.773263      
1 1 1 7  9  10 o 4.745577  0.6760629     9.200000   2.500000  0.9219713      3.293750      
1 1 1 7  9  11 o 3.534301  0.8559122     5.200000   2.400000  1.962007       3.052272      
1 1 1 7  9  12 x ?         ?             ?          ?         0.8525529      2.699558      
1 1 1 7  10 0  o 7.408285  0.6157787     22.40000   3.600000  0.000000       0.000000      
1 1 1 7  10 1  o 11.77154  0.2860301     55.50000   2.700000  -0.6113472     1.375669      
1 1 1 7  10 2  o 9.134001  0.3686242     33.40000   2.700000  1.620330       1.676706      
1 1 1 7  10 3  o 7.747624  0.4037927     24.10000   2.500000  -1.752939      1.813143      
1 1 1 7  10 4  o 17.25266  0.2385278     119.3000   3.300000  1.751165       1.100560      
1 1 1 7  10 5  o 2.647897  0.9557878     2.300000   2.600000  1.865263       3.110567      
1 1 1 7  10 6  o 6.593729  0.4567139     17.50000   2.400000  0.6816416      2.089802      
1 1 1 7  10 7  o 2.999658  0.9146861     3.600000   2.400000  1.939021       3.085234      
1 1 1 7  10 8  o 3.536587  0.8839603     5.200000   2.500000  -0.6151075     3.243776      
1 1 1 7  10 9  o 3.109261  0.9303120     3.900000   2.500000  1.587612       3.129776      
1 1 1 7  10 10 x ?         ?             ?          ?         0.8072624      2.881308      
1 1 1 7  10 11 x ?         ?             ?          ?         3.924570       3.150475      
1 1 1 7  11 0  o 1.576492  1.050595      -1.200000  3.600000  -0.000000      0.000000      
1 1 1 7  11 1  o 2.678134  0.9403133     2.500000   2.500000  -0.2509766     2.664335      
1 1 1 7  11 2  o 7.102912  0.4767978     20.30000   2.700000  2.981604       2.134294      
1 1 1 7  11 3  o 6.417512  0.5094172     16.60000   2.600000  1.969858       2.737965      
1 1 1 7  11 4  o 5.970838  0.5491798     14.40000   2.600000  2.899984       2.800303      
1 1 1 7  11 5  o 1.660880  0.7779819     -2.700000  2.600000  0.6432767      2.531188      
1 1 1 7  11 6  o 2.672190  0.9725433     2.300000   2.700000  -0.1722813E-01 3.248399      
1 1 1 7  11 7  o 1.718290  0.8008943     -2.600000  2.700000  -0.8505297E-01 2.926169      
1 1 1 7  11 8  o 2.816328  0.9603328     2.900000   2.600000  -0.3618245     3.254985      
1 1 1 7  11 9  x ?         ?             ?          ?         1.062378       3.512595      
1 1 1 7  12 0  o 7.134076  0.7157246     21.00000   4.000000  -0.000000      0.000000      
1 1 1 7  12 1  o 2.592901  0.9674596     2.000000   2.700000  -2.625057      2.893539      
1 1 1 7  12 2  o 2.303535  0.9353454     0.8000000  2.700000  0.5253983      3.000235      
1 1 1 7  12 3  o 2.672055  0.9725358     2.300000   2.700000  -1.745834      3.032182      
1 1 1 7  12 4  o 4.517346  0.7731498     8.400000   2.700000  1.065169       3.158460      
1 1 1 7  12 5  o 2.753798  0.9761858     2.600000   2.700000  2.896364       2.981896      
1 1 1 7  12 6  x ?         ?             ?          ?         0.4728060      3.416107      
1 1 1 7  12 7  x ?         ?             ?          ?         -0.4126539     3.371336      
1 1 1 7  13 0  x ?         ?             ?          ?         -0.000000      0.000000      
1 1 1 7  13 1  x ?         ?             ?          ?         -1.685515      3.252045      
1 1 1 7  13 2  x ?         ?             ?          ?         4.153329       3.145208      
1 1 1 7  13 3  x ?         ?             ?          ?         -1.803592      2.781903      
1 1 1 7  13 4  x ?         ?             ?          ?         -0.1297350     3.124125      
1 1 1 8  1  0  o 29.14249  0.2482295     340.6000   5.800000  0.000000       0.000000      
1 1 1 8  1  1  o 29.83907  0.1838859     357.0000   4.400000  -1.619144      1.063695      
1 1 1 8  1  2  o 71.24177  0.3308325     2035.100   18.90000  2.550537       1.950890      
1 1 1 8  1  3  o 30.98716  0.1851216     385.0000   4.600000  -0.6679382     1.077520      
1 1 1 8  1  4  o 122.2119  0.5775428     5989.600   56.60000  4.389297       3.084219      
1 1 1 8  1  5  o 73.22673  0.3405975     2150.100   20.00000  -2.226028      1.905370      
1 1 1 8  1  6  o 38.69623  0.2255851     600.4000   7.000000  -2.590950      1.241338      
1 1 1 8  1  7  o 21.71110  0.1723140     189.0000   3.000000  -1.309822      0.8736669     
1 1 1 8  1  8  o 96.53926  0.4534028     3737.400   35.10000  0.1087952      2.098642      
1 1 1 8  1  9  o 91.10018  0.4010786     3328.100   29.30000  2.470352       1.983885      
1 1 1 8  1  10 o 16.98678  0.1835313     115.7000   2.500000  -0.7028522     0.9109316     
1 1 1 8  1  11 o 23.95492  0.1769968     230.1000   3.400000  2.686386       0.8670060     
1 1 1 8  1  12 o 4.744330  0.3979495     9.100000   1.500000  -1.319014      2.521886      
1 1 1 8  1  13 o 15.41318  0.1699057     95.20000   2.100000  0.1159229      1.141686      
1 1 1 8  1  14 o 6.921300  0.2702618     19.20000   1.500000  1.217471       1.419348      
1 1 1 8  1  15 o 1.602151  0.6495574     0.4000000  1.300000  2.902810       2.105956      
1 1 1 8  1  16 o 10.79287  0.1964233     46.70000   1.700000  1.088421       1.416583      
1 1 1 8  1  17 x ?         ?             ?          ?         -0.3794937     1.712930      
1 1 1 8  2  0  o 114.0613  0.6866539     5217.600   62.80000  0.000000       0.000000      
1 1 1 8  2  1  o 58.11903  0.2939566     1354.400   13.70000  1.868362       1.869838      
1 1 1 8  2  2  o 79.10066  0.3704834     2508.900   23.50000  1.926025       2.141643      
1 1 1 8  2  3  o 42.53115  0.2374975     725.3000   8.100000  1.454727       1.325576      
1 1 1 8  2  4  o 46.54864  0.2491478     868.8000   9.300000  2.273643       1.405897      
1 1 1 8  2  5  o 25.85342  0.1832933     268.0000   3.800000  -1.080673      0.9707494     
1 1 1 8  2  6  o 69.46545  0.3177499     1934.900   17.70000  -0.1850586     1.679787      
1 1 1 8  2  7  o 49.28356  0.2479734     973.9000   9.800000  0.4902954      1.278113      
1 1 1 8  2  8  o 58.81783  0.2819835     1387.200   13.30000  3.181572       1.474121      
1 1 1 8  2  9  o 54.98658  0.2744162     1212.400   12.10000  2.844429       1.455827      
1 1 1 8  2  10 o 22.97745  0.1736718     211.7000   3.200000  0.1465874      0.9279381     
1 1 1 8  2  11 o 7.007986  0.3025080     19.70000   1.700000  0.4113131      1.606447      
1 1 1 8  2  12 o 5.661103  0.3542344     13.00000   1.600000  3.236765       2.522638      
1 1 1 8  2  13 o 18.44653  0.1757680     136.4000   2.600000  0.9915581      1.116845      
1 1 1 8  2  14 o 10.39311  0.2279761     43.30000   1.900000  1.001482       1.487836      
1 1 1 8  2  15 o 2.290251  0.7529079     2.000000   1.600000  -0.7581396     2.452332      
1 1 1 8  2  16 o 18.39092  0.1762994     135.6000   2.600000  1.989920       0.8914573     
1 1 1 8  3  0  o 136.6365  0.8844618     7488.300   96.90000  0.000000       0.000000      
1 1 1 8  3  1  o 79.56497  0.4012353     2538.500   25.60000  2.367615       2.440376      
1 1 1 8  3  2  o 30.78515  0.2065903     380.0000   5.100000  1.628090       1.159991      
1 1 1 8  3  3  o 14.30066  0.2092841     82.00000   2.400000  -1.209625      1.150504      
1 1 1 8  3  4  o 26.49652  0.1976703     281.5000   4.200000  2.673832       1.059289      
1 1 1 8  3  5  o 56.02339  0.2804673     1258.500   12.60000  -1.344856      1.462731      
1 1 1 8  3  6  o 41.45601  0.2256082     689.1000   7.500000  -0.1814957     1.171853      
1 1 1 8  3  7  o 64.77791  0.3060915     1682.600   15.90000  -3.160484      1.615974      
1 1 1 8  3  8  o 63.68965  0.3132797     1626.600   16.00000  3.335472       1.650961      
1 1 1 8  3  9  o 51.15111  0.2608614     1049.200   10.70000  -1.139618      1.360916      
1 1 1 8  3  10 o 28.66507  0.1914171     329.5000   4.400000  1.978676       0.9497033     
1 1 1 8  3  11 o 2.266814  0.7765150     1.900000   1.700000  -0.7104096     2.607480      
1 1 1 8  3  12 o 2.455092  0.7981677     2.300000   1.800000  1.059065       2.820529      
1 1 1 8  3  13 o 21.69606  0.1896768     188.7000   3.300000  0.9674873      1.179139      
1 1 1 8  3  14 o 3.177659  0.6871519     4.200000   1.700000  -2.915473      2.902944      
1 1 1 8  3  15 o 7.508691  0.2989437     22.60000   1.800000  4.684234       1.925510      
1 1 1 8  3  16 x ?         ?             ?          ?         -3.421125      2.265332      
1 1 1 8  4  0  o 109.7804  0.6861696     4833.500   60.40000  -0.000000      0.000000      
1 1 1 8  4  1  o 19.64240  0.1968104     154.7000   3.100000  -1.144146      1.074199      
1 1 1 8  4  2  o 94.97833  0.4267170     3617.400   32.50000  0.6193237      2.283035      
1 1 1 8  4  3  o 16.63837  0.1948694     111.0000   2.600000  -0.6987247     1.065023      
1 1 1 8  4  4  o 32.26448  0.2009832     417.4000   5.200000  -0.6931801     1.056316      
1 1 1 8  4  5  o 53.56062  0.2817220     1150.300   12.10000  0.1907501      1.366536      
1 1 1 8  4  6  o 15.18036  0.2053709     92.40000   2.500000  -1.006140      1.015536      
1 1 1 8  4  7  o 36.07739  0.2177642     521.9000   6.300000  -2.732330      1.052650      
1 1 1 8  4  8  f 10.43916  0.2628078     43.70000   2.200000  0.7068768      1.247090      
1 1 1 8  4  9  o 21.11008  0.1890346     178.7000   3.200000  -0.7082748E-01 0.9395946     
1 1 1 8  4  10 o 8.292902  0.3007492     27.60000   2.000000  0.9535751      1.422886      
1 1 1 8  4  11 o 31.77612  0.2158455     404.4000   5.500000  2.075592       1.095023      
1 1 1 8  4  12 o 19.33142  0.1999766     149.8000   3.100000  1.018930       1.003857      
1 1 1 8  4  13 o 9.888959  0.2522089     39.20000   2.000000  -1.796515      1.418396      
1 1 1 8  4  14 o 8.161418  0.2903147     26.70000   1.900000  1.995062       1.767550      
1 1 1 8  4  15 o 8.357704  0.2984173     28.00000   2.000000  1.673820       1.644840      
1 1 1 8  5  0  o 26.06484  0.2823533     272.5000   5.900000  0.000000       0.000000      
1 1 1 8  5  1  o 34.24422  0.2257800     470.2000   6.200000  -0.1945381     1.169873      
1 1 1 8  5  2  o 47.73311  0.2664781     913.6000   10.20000  -0.1069107     1.413507      
1 1 1 8  5  3  f 16.83944  0.1999480     113.7000   2.700000  1.501661       1.048194      
1 1 1 8  5  4  o 26.67924  0.2009908     285.4000   4.300000  -0.6573868     1.040800      
1 1 1 8  5  5  o 22.89059  0.2070178     210.1000   3.800000  -0.1414261     1.047378      
1 1 1 8  5  6  o 81.49264  0.3948047     2663.400   25.80000  -10.53378      2.174962      
1 1 1 8  5  7  o 27.41122  0.2274693     301.3000   5.000000  -2.150738      1.045056      
1 1 1 8  5  8  o 6.379979  0.4126803     16.40000   2.100000  0.9785252      2.044285      
1 1 1 8  5  9  o 9.769301  0.2808279     38.30000   2.200000  1.804490       1.274640      
1 1 1 8  5  10 o 15.20665  0.2132166     92.60000   2.600000  -0.2809772     0.9985559     
1 1 1 8  5  11 o 10.31026  0.2781886     42.60000   2.300000  -1.537079      1.346710      
1 1 1 8  5  12 o 7.945172  0.3139119     25.30000   2.000000  -1.094699      1.712029      
1 1 1 8  5  13 o 12.12146  0.2469092     58.90000   2.400000  3.303543       1.247772      
1 1 1 8  5  14 o 9.087078  0.3019114     33.10000   2.200000  2.017658       1.662948      
1 1 1 8  5  15 x ?         ?             ?          ?         1.631536       2.571177      
1 1 1 8  6  0  o 6.122684  0.6260250     15.50000   3.000000  0.000000       0.000000      
1 1 1 8  6  1  o 8.792469  0.3120275     31.00000   2.200000  1.461062       1.713426      
1 1 1 8  6  2  o 20.91501  0.2086849     175.4000   3.500000  -0.7195435     1.051761      
1 1 1 8  6  3  o 4.505462  0.6258267     8.300000   2.200000  4.651438       2.772572      
1 1 1 8  6  4  o 14.87292  0.2347702     88.70000   2.800000  -0.3598022E-01 1.205394      
1 1 1 8  6  5  o 22.87370  0.2126225     209.8000   3.900000  -1.908504      1.048453      
1 1 1 8  6  6  o 26.85471  0.2182521     289.2000   4.700000  -3.913101      1.136368      
1 1 1 8  6  7  o 11.04126  0.2710651     48.90000   2.400000  -1.463366      1.292547      
1 1 1 8  6  8  o 2.626756  0.8625176     2.700000   2.100000  -0.7166173     2.492147      
1 1 1 8  6  9  o 13.94572  0.2324950     77.90000   2.600000  -0.6809425E-01 1.072009      
1 1 1 8  6  10 o 11.06890  0.2816546     49.10000   2.500000  0.2099800      1.512961      
1 1 1 8  6  11 o 8.477239  0.3383409     28.80000   2.300000  0.6554098      1.749980      
1 1 1 8  6  12 o 5.585980  0.4963088     12.60000   2.200000  5.004721       2.624886      
1 1 1 8  6  13 o 2.836763  0.8776106     3.200000   2.200000  1.313344       2.696930      
1 1 1 8  6  14 x ?         ?             ?          ?         1.119808       2.240141      
1 1 1 8  7  0  o 3.372468  1.239730      6.100000   3.100000  0.000000       0.000000      
1 1 1 8  7  1  o 12.64304  0.2564501     64.10000   2.600000  0.2114429      1.322116      
1 1 1 8  7  2  o 13.30611  0.2436707     71.00000   2.600000  -1.324472      1.298744      
1 1 1 8  7  3  o 5.253645  0.5543122     11.20000   2.300000  2.689421       2.816970      
1 1 1 8  7  4  o 8.234455  0.3483165     27.20000   2.300000  4.893623       1.930325      
1 1 1 8  7  5  o 16.88903  0.2215122     114.4000   3.000000  -1.527851      1.150969      
1 1 1 8  7  6  o 22.89437  0.2233245     210.3000   4.100000  -3.219303      1.262440      
1 1 1 8  7  7  o 11.11904  0.2803845     49.20000   2.500000  -0.3201790     1.435203      
1 1 1 8  7  8  o 4.339364  0.6835922     7.700000   2.300000  -2.959353      2.872637      
1 1 1 8  7  9  o 9.088880  0.3430131     33.10000   2.500000  -0.2138252     1.436507      
1 1 1 8  7  10 o 3.535022  0.8262078     5.200000   2.300000  2.542519       2.968316      
1 1 1 8  7  11 o 3.198449  0.8985772     4.200000   2.400000  -1.344242      3.082570      
1 1 1 8  7  12 o 4.805750  0.6106099     9.400000   2.300000  -3.331301      2.884809      
1 1 1 8  7  13 x ?         ?             ?          ?         0.1822090      2.238376      
1 1 1 8  8  0  o 1.348295  0.9314313     -2.700000  3.400000  0.000000       0.000000      
1 1 1 8  8  1  o 9.150630  0.3406984     33.60000   2.500000  -1.439772      1.647689      
1 1 1 8  8  2  o 9.136107  0.3412400     33.50000   2.500000  1.011126       1.685258      
1 1 1 8  8  3  o 7.302709  0.4115114     21.50000   2.400000  0.2367640      1.867571      
1 1 1 8  8  4  o 9.213337  0.3248444     34.20000   2.400000  -1.406655      1.697781      
1 1 1 8  8  5  o 2.821790  0.9007644     3.000000   2.300000  -2.065041      2.809900      
1 1 1 8  8  6  o 7.996624  0.3742705     25.60000   2.400000  0.1727686      1.916605      
1 1 1 8  8  7  o 8.639079  0.3608724     29.90000   2.500000  -1.545724      2.143017      
1 1 1 8  8  8  o 9.425211  0.3307730     35.60000   2.500000  2.524023       1.621051      
1 1 1 8  8  9  o 4.926810  0.6759090     9.900000   2.600000  -3.543613      3.322469      
1 1 1 8  8  10 o 2.735380  0.9414393     2.700000   2.500000  -0.8826284     3.120881      
1 1 1 8  8  11 o 5.462871  0.6036003     12.10000   2.600000  2.632747       3.027075      
1 1 1 8  8  12 x ?         ?             ?          ?         0.8264217      2.706012      
1 1 1 8  9  0  o 8.666793  0.5519034     30.40000   3.800000  0.000000       0.000000      
1 1 1 8  9  1  o 9.984934  0.3372094     39.90000   2.700000  -0.5105553     1.830245      
1 1 1 8  9  2  o 13.51854  0.2859650     73.20000   3.100000  0.6457329      1.381321      
1 1 1 8  9  3  o 12.20713  0.2860393     59.70000   2.800000  0.9117413      1.470972      
1 1 1 8  9  4  o 6.594589  0.4759501     17.50000   2.500000  0.3960705      2.607585      
1 1 1 8  9  5  o 8.824624  0.3674161     31.20000   2.600000  -3.200270      1.784294      
1 1 1 8  9  6  o 9.608804  0.3374311     37.00000   2.600000  -0.8768358     1.660528      
1 1 1 8  9  7  o 4.550403  0.7377965     8.500000   2.600000  2.535556       3.107213      
1 1 1 8  9  8  o 6.722453  0.4855774     18.20000   2.600000  -3.506044      2.850332      
1 1 1 8  9  9  o 3.829725  0.8373931     6.100000   2.500000  -3.534662      3.341327      
1 1 1 8  9  10 o 9.250894  0.3639663     34.30000   2.700000  0.4885035      1.987376      
1 1 1 8  9  11 x ?         ?             ?          ?         0.4304752      3.213842      
1 1 1 8  10 0  o 12.98596  0.4235530     67.80000   4.400000  -0.000000      0.000000      
1 1 1 8  10 1  o 6.721347  0.5236286     18.20000   2.800000  -1.058337      3.283095      
1 1 1 8  10 2  o 1.868832  0.8309364     -1.000000  2.500000  0.5091443      2.305196      
1 1 1 8  10 3  o 8.448817  0.4132788     28.60000   2.800000  1.184717       1.938006      
1 1 1 8  10 4  o 2.967355  0.9164070     3.500000   2.400000  0.4134178E-01  2.777841      
1 1 1 8  10 5  o 3.924125  0.8507743     6.400000   2.600000  -0.7801394     3.161546      
1 1 1 8  10 6  o 1.681807  0.7793719     -2.200000  2.500000  0.5337553      2.949847      
1 1 1 8  10 7  o 4.170448  0.8066199     7.200000   2.600000  1.329529       3.130176      
1 1 1 8  10 8  o 2.230030  0.9019427     0.8000000  2.500000  2.768270       3.066070      
1 1 1 8  10 9  x ?         ?             ?          ?         -4.124000      3.109924      
1 1 1 8  10 10 x ?         ?             ?          ?         4.626019       3.142183      
1 1 1 8  11 0  o 10.19973  0.5040835     42.00000   4.100000  -0.000000      0.000000      
1 1 1 8  11 1  o 2.726669  0.9751562     2.500000   2.700000  -0.2052784E-01 2.940610      
1 1 1 8  11 2  o 4.541852  0.7979035     8.500000   2.800000  -2.268027      3.220871      
1 1 1 8  11 3  o 5.046970  0.7115940     10.40000   2.800000  -2.491652      3.169154      
1 1 1 8  11 4  o 5.171418  0.6925920     10.90000   2.800000  -1.312233      3.264743      
1 1 1 8  11 5  o 3.353033  0.9569840     4.600000   2.700000  0.9394317      3.186505      
1 1 1 8  11 6  o 1.692750  0.7928758     -2.800000  2.700000  -0.4568777     2.880131      
1 1 1 8  11 7  x ?         ?             ?          ?         1.511558       3.324266      
1 1 1 8  11 8  x ?         ?             ?          ?         1.238818       3.102121      
1 1 1 8  12 0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 8  12 1  x ?         ?             ?          ?         -0.3318806     3.092179      
1 1 1 8  12 2  x ?         ?             ?          ?         1.123481       2.749379      
1 1 1 8  12 3  x ?         ?             ?          ?         0.7316532      3.061315      
1 1 1 8  12 4  x ?         ?             ?          ?         0.1746993      3.004329      
1 1 1 8  12 5  x ?         ?             ?          ?         0.5848284      2.867974      
1 1 1 9  1  0  o 87.27128  0.5616202     3054.400   39.30000  0.000000       0.000000      
1 1 1 9  1  1  o 83.00190  0.3801138     2762.500   25.30000  -0.5396118     2.232747      
1 1 1 9  1  2  o 129.5862  0.5475636     6734.200   56.90000  -1.170990      3.210842      
1 1 1 9  1  3  o 47.51888  0.2624308     905.4000   10.00000  -0.9387589     1.466249      
1 1 1 9  1  4  f 9.099442  0.2603874     33.20000   1.900000  -2.600526      1.814157      
1 1 1 9  1  5  o 30.89836  0.1977615     382.8000   4.900000  -2.306725      1.100499      
1 1 1 9  1  6  o 60.74931  0.3079151     1479.800   15.00000  -3.234406      1.732632      
1 1 1 9  1  7  o 30.96675  0.2053788     384.5000   5.100000  3.352318       1.133772      
1 1 1 9  1  8  o 70.86808  0.4416763     2014.100   25.10000  -0.1310730     1.931161      
1 1 1 9  1  9  o 43.41496  0.2355351     755.8000   8.200000  -0.8382034     1.173016      
1 1 1 9  1  10 o 37.07493  0.2186322     551.2000   6.500000  -1.657475      1.098913      
1 1 1 9  1  11 o 12.91542  0.1931091     66.90000   2.000000  -0.5087910     0.9841183     
1 1 1 9  1  12 o 14.46543  0.1896586     83.80000   2.200000  0.1912460      0.9330136     
1 1 1 9  1  13 o 15.36194  0.1867080     94.60000   2.300000  -0.1110210     1.160950      
1 1 1 9  1  14 o 2.899063  0.6968625     3.500000   1.600000  -4.579141      2.895236      
1 1 1 9  1  15 o 7.960072  0.2663257     25.40000   1.700000  -0.9880886     1.428770      
1 1 1 9  1  16 x ?         ?             ?          ?         -1.081433      1.794011      
1 1 1 9  2  0  o 3.236880  1.080524      5.400000   2.500000  0.000000       0.000000      
1 1 1 9  2  1  o 92.83585  0.4298484     3456.000   32.00000  2.042236       2.709163      
1 1 1 9  2  2  o 10.23459  0.2558761     42.00000   2.100000  0.6001987      1.637562      
1 1 1 9  2  3  o 50.12148  0.2711962     1007.300   10.90000  -1.863556      1.543626      
1 1 1 9  2  4  f 36.08477  0.2280873     522.1000   6.600000  -1.726524      1.308359      
1 1 1 9  2  5  o 35.86987  0.2225006     515.9000   6.400000  0.8795319      1.235133      
1 1 1 9  2  6  o 35.15707  0.2092765     495.6000   5.900000  -2.378597      1.077345      
1 1 1 9  2  7  o 28.13965  0.1949912     317.5000   4.400000  -0.7563057     0.9894934     
1 1 1 9  2  8  o 64.83943  0.3134942     1685.900   16.30000  0.1170502      1.647587      
1 1 1 9  2  9  o 42.11651  0.2339138     711.3000   7.900000  0.1293182E-01  1.207430      
1 1 1 9  2  10 o 15.66435  0.1910645     98.40000   2.400000  2.495241       1.001434      
1 1 1 9  2  11 o 9.846402  0.2532990     39.00000   2.000000  0.5632448      1.334761      
1 1 1 9  2  12 o 13.06349  0.2004663     68.40000   2.100000  1.000786       1.067413      
1 1 1 9  2  13 o 7.324476  0.3234880     21.50000   1.900000  5.413975       2.768166      
1 1 1 9  2  14 o 2.700887  0.7553763     3.000000   1.700000  -1.613896      2.916169      
1 1 1 9  2  15 o 2.339609  0.7990391     2.000000   1.800000  -2.914665      2.969271      
1 1 1 9  2  16 x ?         ?             ?          ?         2.741834       2.504281      
1 1 1 9  3  0  o 25.68328  0.3059920     264.6000   6.300000  0.000000       0.000000      
1 1 1 9  3  1  o 5.258150  0.5289374     11.20000   2.200000  -1.694221      3.162968      
1 1 1 9  3  2  o 13.60344  0.2291777     74.20000   2.500000  -0.4314022     1.281215      
1 1 1 9  3  3  o 32.78960  0.2205835     431.1000   5.800000  -1.750637      1.086844      
1 1 1 9  3  4  o 19.74368  0.1894847     156.3000   3.000000  -0.8044815E-01 0.9917356     
1 1 1 9  3  5  o 14.39615  0.2165582     83.10000   2.500000  0.2350864      1.152545      
1 1 1 9  3  6  o 52.27836  0.2767051     1095.900   11.60000  -4.465698      1.439466      
1 1 1 9  3  7  o 29.14927  0.2010718     340.7000   4.700000  -3.037834      1.030033      
1 1 1 9  3  8  o 44.91549  0.2526541     809.0000   9.100000  0.4827423      1.335268      
1 1 1 9  3  9  o 19.94334  0.1938406     159.5000   3.100000  0.8682251      1.009345      
1 1 1 9  3  10 o 5.602060  0.4261434     12.70000   1.900000  2.734529       2.206710      
1 1 1 9  3  11 o 3.858734  0.6362062     6.100000   1.900000  1.705006       2.740180      
1 1 1 9  3  12 o 18.68130  0.1935852     139.9000   2.900000  0.6678734      1.237630      
1 1 1 9  3  13 o 7.492428  0.3162366     22.50000   1.900000  -1.127207      2.264435      
1 1 1 9  3  14 o 2.521211  0.7960225     2.500000   1.800000  0.2178183      2.983054      
1 1 1 9  3  15 x ?         ?             ?          ?         2.022665       2.990443      
1 1 1 9  4  0  f 1.156029  0.8091183     -2.900000  2.800000  0.000000       0.000000      
1 1 1 9  4  1  o 33.09237  0.2185653     439.1000   5.800000  1.311005       1.151703      
1 1 1 9  4  2  f 23.24754  0.1984750     216.7000   3.700000  1.245758       1.067882      
1 1 1 9  4  3  o 13.36292  0.2239706     71.60000   2.400000  1.457365       1.213665      
1 1 1 9  4  4  o 30.97059  0.2093798     384.6000   5.200000  0.5258293      1.082077      
1 1 1 9  4  5  o 48.21058  0.2638389     932.0000   10.20000  -5.076469      1.432908      
1 1 1 9  4  6  o 20.90889  0.1968177     175.3000   3.300000  -0.9233017     0.9288908     
1 1 1 9  4  7  o 15.35934  0.2192160     94.60000   2.700000  -0.3976707     1.073363      
1 1 1 9  4  8  o 14.24662  0.2275845     81.40000   2.600000  0.1465206      1.069612      
1 1 1 9  4  9  o 16.72931  0.2012644     112.3000   2.700000  -0.4853668     0.9796910     
1 1 1 9  4  10 o 13.19993  0.2361834     69.80000   2.500000  0.5911236      1.123314      
1 1 1 9  4  11 o 9.569371  0.2736636     36.70000   2.100000  3.807909       1.345272      
1 1 1 9  4  12 o 11.40058  0.2515835     52.10000   2.300000  0.6667633      1.307938      
1 1 1 9  4  13 o 5.265289  0.4789203     11.20000   2.000000  2.730536       2.716886      
1 1 1 9  4  14 o 6.042120  0.4153048     14.70000   2.000000  -4.148348      2.642960      
1 1 1 9  4  15 x ?         ?             ?          ?         -1.509916      2.192893      
1 1 1 9  5  0  o 25.54266  0.2832457     261.7000   5.800000  0.000000       0.000000      
1 1 1 9  5  1  o 8.706852  0.3294183     30.40000   2.300000  -0.2812243     2.056197      
1 1 1 9  5  2  o 30.63843  0.2116498     376.4000   5.200000  -0.5937576E-01 1.095596      
1 1 1 9  5  3  o 9.823900  0.2792671     38.70000   2.200000  -1.524749      1.483037      
1 1 1 9  5  4  o 46.02102  0.2655528     849.3000   9.800000  -1.364838      1.399163      
1 1 1 9  5  5  o 29.98348  0.2162730     360.5000   5.200000  -0.2491798     1.112071      
1 1 1 9  5  6  o 8.234572  0.3483115     27.20000   2.300000  -0.4968615     1.633433      
1 1 1 9  5  7  o 11.73110  0.2444950     55.20000   2.300000  -2.395628      1.222062      
1 1 1 9  5  8  o 21.01666  0.2017419     177.4000   3.400000  0.3939705      0.9862884     
1 1 1 9  5  9  o 4.322519  0.5925973     7.600000   2.000000  -3.736911      2.483086      
1 1 1 9  5  10 o 8.492282  0.3083727     28.90000   2.100000  -1.330379      1.523504      
1 1 1 9  5  11 o 9.889425  0.2900266     39.20000   2.300000  -0.9403429     1.438532      
1 1 1 9  5  12 o 7.786673  0.3683469     24.30000   2.300000  -2.069249      2.168194      
1 1 1 9  5  13 o 6.651608  0.4145166     17.80000   2.200000  2.584441       2.415284      
1 1 1 9  5  14 x ?         ?             ?          ?         0.5014133E-01  2.213019      
1 1 1 9  6  0  o 31.73646  0.3104869     404.0000   7.900000  0.000000       0.000000      
1 1 1 9  6  1  o 36.07602  0.2350560     521.9000   6.800000  -0.9717026     1.232869      
1 1 1 9  6  2  o 20.24792  0.2094014     164.4000   3.400000  1.168880       1.096538      
1 1 1 9  6  3  o 18.12926  0.2132370     131.8000   3.100000  0.5496693      1.119732      
1 1 1 9  6  4  o 21.39087  0.2157020     183.5000   3.700000  0.1009712      1.102093      
1 1 1 9  6  5  o 16.05628  0.2252341     103.4000   2.900000  -0.6275043     1.138606      
1 1 1 9  6  6  o 4.491723  0.6279583     8.300000   2.200000  -1.209292      2.614887      
1 1 1 9  6  7  o 12.43222  0.2607990     61.80000   2.600000  0.2884922      1.228047      
1 1 1 9  6  8  o 9.967471  0.3127779     39.80000   2.500000  2.768116       1.411455      
1 1 1 9  6  9  o 5.423353  0.5599114     11.90000   2.400000  -2.163228      2.701553      
1 1 1 9  6  10 f 3.769894  0.7862684     5.900000   2.300000  1.631826       2.842005      
1 1 1 9  6  11 o 5.084845  0.6001597     10.50000   2.400000  2.616135       3.041825      
1 1 1 9  6  12 o 2.690804  0.9033008     2.700000   2.300000  1.424447       3.052738      
1 1 1 9  6  13 x ?         ?             ?          ?         -0.6908684     3.125525      
1 1 1 9  7  0  o 15.37966  0.3246618     95.00000   4.000000  0.000000       0.000000      
1 1 1 9  7  1  o 25.47970  0.2202416     260.4000   4.500000  0.7543182      1.122109      
1 1 1 9  7  2  o 8.630462  0.3467834     29.90000   2.400000  -0.6160421     1.991570      
1 1 1 9  7  3  o 4.851020  0.5495371     9.600000   2.100000  1.395956       2.971616      
1 1 1 9  7  4  f 4.218773  0.7047247     7.600000   2.300000  1.539424       3.069754      
1 1 1 9  7  5  o 12.14328  0.2772737     59.00000   2.700000  -0.1728725     1.432780      
1 1 1 9  7  6  o 7.486040  0.4181268     22.50000   2.500000  -2.217901      2.139268      
1 1 1 9  7  7  o 6.017995  0.5019039     14.60000   2.400000  2.655343       2.891199      
1 1 1 9  7  8  f 3.000778  0.9146101     3.600000   2.400000  1.018106       2.894490      
1 1 1 9  7  9  o 1.830625  0.8278652     -1.500000  2.600000  -0.8551974     2.850136      
1 1 1 9  7  10 o 3.829872  0.8373677     6.100000   2.500000  -2.777027      2.838462      
1 1 1 9  7  11 o 7.067359  0.4613025     20.10000   2.600000  2.723557       2.430833      
1 1 1 9  7  12 x ?         ?             ?          ?         0.5548458      3.117716      
1 1 1 9  8  0  o 9.900828  0.4812143     39.50000   3.800000  0.000000       0.000000      
1 1 1 9  8  1  o 14.18528  0.2461508     80.60000   2.800000  -0.2472839     1.330224      
1 1 1 9  8  2  o 10.15555  0.3192648     41.30000   2.600000  -1.549820      1.586074      
1 1 1 9  8  3  o 7.996368  0.3898776     25.60000   2.500000  0.2284451      2.347337      
1 1 1 9  8  4  o 14.32176  0.2612198     82.20000   3.000000  0.6151161      1.288908      
1 1 1 9  8  5  o 3.607386  0.9013610     5.400000   2.600000  -2.828484      3.097051      
1 1 1 9  8  6  o 15.49205  0.2575860     96.20000   3.200000  1.052801       1.317929      
1 1 1 9  8  7  o 1.977241  0.8561190     -0.4000000 2.500000  -1.425193      2.993450      
1 1 1 9  8  8  o 7.395776  0.4575083     22.00000   2.700000  1.601637       2.455350      
1 1 1 9  8  9  o 5.031514  0.6336704     10.30000   2.500000  1.706001       2.665474      
1 1 1 9  8  10 o 2.266889  0.9187695     0.8000000  2.600000  -0.8801961     2.852799      
1 1 1 9  8  11 x ?         ?             ?          ?         -1.910459      3.279090      
1 1 1 9  9  0  o 3.515181  1.439158      6.900000   4.000000  0.000000       0.000000      
1 1 1 9  9  1  o 3.671001  0.8919981     5.600000   2.600000  0.8739233E-02  2.115024      
1 1 1 9  9  2  o 9.102818  0.3835864     33.20000   2.800000  0.5679388      2.461646      
1 1 1 9  9  3  o 7.902931  0.4436195     25.10000   2.800000  0.8711910      2.364271      
1 1 1 9  9  4  o 4.923657  0.7038764     9.900000   2.700000  1.529742       3.190670      
1 1 1 9  9  5  o 4.015748  0.8640696     6.700000   2.700000  -2.701139      3.250505      
1 1 1 9  9  6  o 4.977830  0.6682228     10.10000   2.600000  0.6330214      3.078974      
1 1 1 9  9  7  o 5.840423  0.5843430     13.80000   2.700000  2.376839       3.302882      
1 1 1 9  9  8  o 3.153180  0.9499324     4.000000   2.600000  0.2857285      2.936429      
1 1 1 9  9  9  x ?         ?             ?          ?         1.258431       2.724129      
1 1 1 9  9  10 x ?         ?             ?          ?         -1.204148      3.336918      
1 1 1 9  10 0  o 9.054507  0.6124262     33.30000   4.400000  0.000000       0.000000      
1 1 1 9  10 1  o 2.452181  0.9668458     1.300000   2.800000  2.099125       3.170201      
1 1 1 9  10 2  o 5.504451  0.6466655     12.30000   2.800000  -4.743507      3.075464      
1 1 1 9  10 3  o 4.944998  0.7278866     10.00000   2.800000  1.350922       3.365369      
1 1 1 9  10 4  o 1.894830  0.8446172     -1.100000  2.600000  3.132360       2.927837      
1 1 1 9  10 5  o 3.119698  0.9936513     3.800000   2.800000  0.3776155      3.314822      
1 1 1 9  10 6  o 5.171268  0.6926147     10.90000   2.800000  -2.091243      3.175981      
1 1 1 9  10 7  x ?         ?             ?          ?         4.615754       3.246503      
1 1 1 9  10 8  x ?         ?             ?          ?         -0.3545637     2.866574      
1 1 1 9  11 0  o 1.530864  1.054983      -3.300000  4.300000  0.000000       0.000000      
1 1 1 9  11 1  o 5.061353  0.7895640     10.50000   3.100000  -0.7896938     3.496585      
1 1 1 9  11 2  x ?         ?             ?          ?         0.6319871      3.145930      
1 1 1 9  11 3  x ?         ?             ?          ?         -1.132000      2.930151      
1 1 1 9  11 4  x ?         ?             ?          ?         1.955725       2.858016      
1 1 1 9  11 5  x ?         ?             ?          ?         -1.825921      3.220600      
1 1 1 10 1  0  o 25.88739  0.2794697     268.8000   5.800000  0.000000       0.000000      
1 1 1 10 1  1  o 13.94746  0.2235249     78.00000   2.500000  0.8322411      1.166681      
1 1 1 10 1  2  o 31.37490  0.2066817     394.7000   5.200000  0.1804733      1.221410      
1 1 1 10 1  3  o 100.0388  0.4437745     4013.200   35.60000  1.568039       2.593951      
1 1 1 10 1  4  o 59.67238  0.3030231     1427.800   14.50000  -1.540581      1.710621      
1 1 1 10 1  5  o 42.42799  0.2439533     721.8000   8.300000  1.810944       1.381429      
1 1 1 10 1  6  o 11.95420  0.2399322     57.30000   2.300000  -2.710560      1.389604      
1 1 1 10 1  7  o 49.53970  0.2743811     984.1000   10.90000  -0.2691879     1.541461      
1 1 1 10 1  8  o 48.53427  0.2697875     944.6000   10.50000  -0.1857452     1.505859      
1 1 1 10 1  9  o 29.97073  0.1997216     360.2000   4.800000  -0.5860977     1.019018      
1 1 1 10 1  10 o 12.87591  0.2130717     66.50000   2.200000  -1.638369      1.034138      
1 1 1 10 1  11 o 7.698711  0.3077632     23.70000   1.900000  -2.961164      1.589866      
1 1 1 10 1  12 o 9.977581  0.2499688     39.90000   2.000000  -0.8886156     1.272491      
1 1 1 10 1  13 o 1.630594  0.7158410     -0.5000000 1.800000  1.237945       2.400729      
1 1 1 10 1  14 o 3.021452  0.7471114     3.800000   1.800000  0.2665081      3.015554      
1 1 1 10 1  15 o 2.023581  0.7968932     0.9000000  1.900000  -0.1487932     2.669589      
1 1 1 10 1  16 x ?         ?             ?          ?         -1.894113      2.765608      
1 1 1 10 2  0  o 47.21676  0.3724473     894.1000   14.10000  -0.000000      0.000000      
1 1 1 10 2  1  o 46.84195  0.2688856     879.8000   10.10000  1.155647       1.562106      
1 1 1 10 2  2  o 29.77186  0.2136216     355.4000   5.100000  0.9506798      1.206430      
1 1 1 10 2  3  o 22.92343  0.2067213     210.7000   3.800000  0.7542801      1.164416      
1 1 1 10 2  4  o 50.26510  0.2729023     1013.100   11.00000  -0.7571869     1.523610      
1 1 1 10 2  5  o 26.67448  0.2103767     285.3000   4.500000  1.558224       1.174683      
1 1 1 10 2  6  o 37.39423  0.2301048     560.7000   6.900000  -0.6837425     1.269970      
1 1 1 10 2  7  o 34.96766  0.2139763     490.3000   6.000000  1.069920       1.063419      
1 1 1 10 2  8  o 16.94195  0.2060989     115.1000   2.800000  -0.6883049E-01 1.090514      
1 1 1 10 2  9  o 15.69555  0.1986299     98.80000   2.500000  -0.4110489     1.031172      
1 1 1 10 2  10 o 13.71141  0.2182781     76.60000   2.400000  0.4615402      1.166296      
1 1 1 10 2  11 f 8.710650  0.3006421     30.40000   2.100000  -0.4911604     1.473759      
1 1 1 10 2  12 o 2.912274  0.7924540     3.500000   1.900000  1.950402       2.526923      
1 1 1 10 2  13 o 2.171984  0.8113438     1.400000   1.900000  -0.4976144     2.841276      
1 1 1 10 2  14 f 6.893641  0.3630750     19.10000   2.000000  3.954043       2.868732      
1 1 1 10 2  15 x ?         ?             ?          ?         1.209806       3.237460      
1 1 1 10 3  0  o 27.48815  0.3267430     303.1000   7.200000  0.000000       0.000000      
1 1 1 10 3  1  o 10.19778  0.2934856     41.70000   2.400000  0.8665113      2.019381      
1 1 1 10 3  2  o 24.22454  0.2213574     235.3000   4.300000  0.9284019      1.357591      
1 1 1 10 3  3  o 7.322233  0.3576488     21.50000   2.100000  -0.5310764     1.853979      
1 1 1 10 3  4  o 23.10206  0.1997248     214.0000   3.700000  -1.641697      1.015341      
1 1 1 10 3  5  o 34.15238  0.2227357     467.7000   6.100000  -2.485607      1.146698      
1 1 1 10 3  6  o 47.25314  0.2612676     895.4000   9.900000  -4.955200      1.364315      
1 1 1 10 3  7  o 13.91950  0.2329329     77.70000   2.600000  -1.162481      1.202106      
1 1 1 10 3  8  o 18.03129  0.2074796     130.4000   3.000000  3.302799       1.070423      
1 1 1 10 3  9  o 4.927898  0.5402800     10.20000   2.100000  -3.488084      2.785861      
1 1 1 10 3  10 o 16.80642  0.2151809     113.2000   2.900000  1.687372       1.104400      
1 1 1 10 3  11 o 9.464396  0.2898751     35.90000   2.200000  2.014465       1.367057      
1 1 1 10 3  12 o 11.01096  0.2604856     48.60000   2.300000  -0.1169014E-01 1.345103      
1 1 1 10 3  13 o 6.614948  0.3977379     17.60000   2.100000  -1.983753      2.431767      
1 1 1 10 3  14 x ?         ?             ?          ?         -1.105065      3.030169      
1 1 1 10 4  0  o 41.13353  0.3487010     678.6000   11.50000  0.000000       0.000000      
1 1 1 10 4  1  o 9.488093  0.3022943     36.10000   2.300000  -2.273082      1.535074      
1 1 1 10 4  2  o 6.996418  0.4117675     19.70000   2.300000  -4.370240      2.489721      
1 1 1 10 4  3  o 18.36225  0.2105314     135.2000   3.100000  -0.2494717     1.058443      
1 1 1 10 4  4  f 29.05013  0.2146362     338.4000   5.000000  -0.4682693     1.113321      
1 1 1 10 4  5  f 42.51859  0.2610310     725.0000   8.900000  -3.808739      1.331375      
1 1 1 10 4  6  o 8.516707  0.3514152     29.10000   2.400000  1.568735       1.659637      
1 1 1 10 4  7  o 10.14432  0.2950323     41.30000   2.400000  -1.191257      1.449354      
1 1 1 10 4  8  o 21.72198  0.2124141     187.8000   3.700000  -0.3799171     1.098761      
1 1 1 10 4  9  o 15.35609  0.2355041     94.50000   2.900000  2.220293       1.200545      
1 1 1 10 4  10 o 7.851250  0.3494338     24.70000   2.200000  1.003674       1.636098      
1 1 1 10 4  11 o 14.06483  0.2305260     79.30000   2.600000  1.595722       1.163494      
1 1 1 10 4  12 o 10.23604  0.2802058     42.00000   2.300000  2.557915       1.401379      
1 1 1 10 4  13 f 4.675153  0.6007209     8.900000   2.200000  -2.281952      3.040086      
1 1 1 10 4  14 x ?         ?             ?          ?         0.3958735      3.040051      
1 1 1 10 5  0  o 6.050211  0.6587642     15.20000   3.100000  0.000000       0.000000      
1 1 1 10 5  1  o 20.14286  0.2104936     162.7000   3.400000  0.1267929      1.062556      
1 1 1 10 5  2  o 17.29146  0.2163569     119.9000   3.000000  0.9013958      1.126459      
1 1 1 10 5  3  o 16.89723  0.2214047     114.5000   3.000000  -0.2983437     1.153077      
1 1 1 10 5  4  o 10.22007  0.3050474     41.90000   2.500000  1.109671       1.547639      
1 1 1 10 5  5  o 16.58953  0.2255113     110.4000   3.000000  -1.109365      1.105504      
1 1 1 10 5  6  o 4.381335  0.6455210     8.000000   2.200000  -1.299486      2.771100      
1 1 1 10 5  7  o 13.94666  0.2414208     77.90000   2.700000  1.059782       1.131703      
1 1 1 10 5  8  o 14.61434  0.2303911     85.60000   2.700000  1.368616       1.147626      
1 1 1 10 5  9  o 7.867420  0.3804171     24.80000   2.400000  -2.967466      2.659116      
1 1 1 10 5  10 o 7.432894  0.3872185     22.20000   2.300000  0.6113052      2.355624      
1 1 1 10 5  11 o 6.593935  0.4374587     17.50000   2.300000  1.562451       2.487213      
1 1 1 10 5  12 o 8.298303  0.3606642     27.60000   2.400000  -0.6757021     1.764306      
1 1 1 10 5  13 x ?         ?             ?          ?         -0.2171707     3.159207      
1 1 1 10 6  0  o 25.87514  0.3230172     268.7000   6.700000  0.000000       0.000000      
1 1 1 10 6  1  o 2.111712  0.8723406     0.5000000  2.400000  1.365844       3.134163      
1 1 1 10 6  2  o 16.56540  0.2258397     110.1000   3.000000  1.260399       1.137902      
1 1 1 10 6  3  o 3.462544  0.8374944     5.100000   2.300000  0.8447213      2.893876      
1 1 1 10 6  4  o 11.66945  0.2778460     49.10000   2.600000  -0.8032761     1.518221      
1 1 1 10 6  5  o 16.81045  0.2299659     113.2000   3.100000  -0.3634605     1.184275      
1 1 1 10 6  6  o 7.650634  0.3925179     23.50000   2.400000  0.1531601E-02  2.046426      
1 1 1 10 6  7  o 4.960944  0.6165925     10.00000   2.400000  3.255440       2.903799      
1 1 1 10 6  8  o 9.517183  0.3275764     36.30000   2.500000  -0.9181700     1.697165      
1 1 1 10 6  9  o 8.823071  0.3392131     31.20000   2.400000  -1.138804      1.685006      
1 1 1 10 6  10 o 3.431401  0.8421409     4.900000   2.300000  -2.209459      2.810237      
1 1 1 10 6  11 o 4.722191  0.6511120     9.100000   2.400000  0.3418741      2.681586      
1 1 1 10 6  12 x ?         ?             ?          ?         7.198971       2.769584      
1 1 1 10 7  0  o 31.76994  0.3337272     404.5000   8.500000  0.000000       0.000000      
1 1 1 10 7  1  o 2.432504  0.9112397     1.700000   2.400000  0.7428594      2.853132      
1 1 1 10 7  2  o 7.668002  0.4244897     23.60000   2.600000  1.820056       2.085099      
1 1 1 10 7  3  o 11.00266  0.3060182     48.50000   2.700000  0.9666939      1.502049      
1 1 1 10 7  4  o 11.42452  0.3056335     52.30000   2.800000  2.394545       1.535866      
1 1 1 10 7  5  o 10.56153  0.3187999     44.70000   2.700000  -0.8668346     1.546298      
1 1 1 10 7  6  o 9.305420  0.3484323     34.70000   2.600000  -1.902469      1.824335      
1 1 1 10 7  7  o 7.190932  0.4532072     20.80000   2.600000  1.875377       2.716145      
1 1 1 10 7  8  o 6.259805  0.5022652     15.80000   2.500000  1.975101       2.201981      
1 1 1 10 7  9  o 4.802347  0.6390842     9.400000   2.400000  -0.5712776     2.997834      
1 1 1 10 7  10 x ?         ?             ?          ?         3.996767       2.966556      
1 1 1 10 7  11 x ?         ?             ?          ?         0.7171879      2.917359      
1 1 1 10 8  0  o 13.45106  0.3901227     72.70000   4.200000  0.000000       0.000000      
1 1 1 10 8  1  o 4.716850  0.7093481     9.100000   2.600000  2.464788       3.151009      
1 1 1 10 8  2  o 4.053197  0.7975768     6.800000   2.500000  4.820986       2.898710      
1 1 1 10 8  3  o 12.52730  0.2886831     62.90000   2.900000  -0.1843224     1.550176      
1 1 1 10 8  4  o 7.792417  0.4176046     24.40000   2.600000  0.1927662      2.244863      
1 1 1 10 8  5  o 3.572258  0.9062212     5.300000   2.600000  -3.860220      2.991140      
1 1 1 10 8  6  o 2.725697  1.005480      2.300000   2.900000  -0.7177687     3.038222      
1 1 1 10 8  7  o 7.822387  0.4482429     24.60000   2.800000  -0.5405302     2.376099      
1 1 1 10 8  8  o 6.112379  0.5781187     15.10000   2.800000  -3.868633      3.191890      
1 1 1 10 8  9  x ?         ?             ?          ?         0.1712627      2.764447      
1 1 1 10 8  10 x ?         ?             ?          ?         1.027407       2.817420      
1 1 1 10 9  0  o 8.813616  0.6299517     31.60000   4.400000  0.000000       0.000000      
1 1 1 10 9  1  o 3.455597  0.9704875     4.900000   2.800000  1.064879       3.390497      
1 1 1 10 9  2  o 8.609117  0.4200689     29.70000   2.900000  -0.7537174E-01 2.362169      
1 1 1 10 9  3  o 2.088321  0.9128972     -0.7000000 2.900000  1.123561       2.678943      
1 1 1 10 9  4  o 7.594289  0.4786519     23.20000   2.900000  -0.1319084     2.767726      
1 1 1 10 9  5  o 3.193805  1.010602      4.000000   2.900000  -3.047174      3.112589      
1 1 1 10 9  6  o 6.006454  0.6105782     14.60000   2.900000  2.083398       3.404850      
1 1 1 10 9  7  x ?         ?             ?          ?         1.350770       3.451358      
1 1 1 10 9  8  x ?         ?             ?          ?         1.094483       3.586994      
1 1 1 10 10 0  o 1.937120  1.226386      0.5000000  4.100000  0.000000       0.000000      
1 1 1 10 10 1  o 2.137675  0.9155692     -0.2000000 2.800000  1.057324       2.885747      
1 1 1 10 10 2  o 6.147732  0.6381182     15.30000   3.100000  -1.283747      3.401209      
1 1 1 10 10 3  x ?         ?             ?          ?         0.2363687      3.507490      
1 1 1 10 10 4  x ?         ?             ?          ?         -1.250037      3.287862      
1 1 1 10 10 5  x ?         ?             ?          ?         2.430752       3.271544      
1 1 1 11 1  0  o 11.55054  0.4114471     53.70000   3.800000  0.000000       0.000000      
1 1 1 11 1  1  o 35.88712  0.2258686     516.4000   6.500000  -0.7363472     1.196838      
1 1 1 11 1  2  o 24.28128  0.1951610     236.4000   3.800000  0.4665070      0.9904452     
1 1 1 11 1  3  o 43.94656  0.2497117     774.4000   8.800000  1.562218       1.470446      
1 1 1 11 1  4  o 36.15696  0.2241830     524.2000   6.500000  -0.7682419     1.323201      
1 1 1 11 1  5  o 35.31916  0.2365623     500.2000   6.700000  0.3104019E-01  1.339888      
1 1 1 11 1  6  o 10.95211  0.2732715     48.10000   2.400000  -0.1681633     1.453565      
1 1 1 11 1  7  o 43.66490  0.2598903     764.6000   9.100000  -2.372360      1.409987      
1 1 1 11 1  8  o 29.42340  0.2203898     347.2000   5.200000  -1.136414      1.198472      
1 1 1 11 1  9  o 9.572124  0.2996406     36.80000   2.300000  -1.765268      1.696778      
1 1 1 11 1  10 o 17.22603  0.2027000     118.9000   2.800000  0.1795273      1.072597      
1 1 1 11 1  11 o 3.436924  0.7127709     4.900000   1.900000  1.177879       2.656983      
1 1 1 11 1  12 o 7.054695  0.3725329     20.00000   2.100000  0.2830791E-01  1.958539      
1 1 1 11 1  13 o 5.095140  0.4957822     10.50000   2.000000  1.718580       2.512796      
1 1 1 11 1  14 o 11.46564  0.2501559     52.70000   2.300000  -0.5677032E-01 1.236182      
1 1 1 11 1  15 x ?         ?             ?          ?         -0.9376585     2.673087      
1 1 1 11 2  0  o 4.763449  0.9425142     10.10000   3.200000  0.000000       0.000000      
1 1 1 11 2  1  o 37.92747  0.2367335     576.8000   7.200000  -0.5974579E-01 1.401548      
1 1 1 11 2  2  o 35.96653  0.2357716     518.7000   6.800000  -1.357006      1.319434      
1 1 1 11 2  3  o 28.12597  0.2172550     317.2000   4.900000  -1.955635      1.175376      
1 1 1 11 2  4  o 16.72763  0.2161945     112.2000   2.900000  -0.6732121     1.246664      
1 1 1 11 2  5  o 40.97287  0.2587043     673.2000   8.500000  -3.149979      1.395229      
1 1 1 11 2  6  o 20.26622  0.2092123     164.7000   3.400000  0.6759014      1.156688      
1 1 1 11 2  7  o 24.92747  0.2101126     249.2000   4.200000  -1.330032      1.116928      
1 1 1 11 2  8  o 9.215438  0.2977061     34.10000   2.200000  1.034057       1.584268      
1 1 1 11 2  9  o 20.06622  0.2050829     161.3000   3.300000  0.2530212      1.081571      
1 1 1 11 2  10 o 2.922157  0.8200490     3.500000   2.000000  0.9009171      2.944760      
1 1 1 11 2  11 o 6.874477  0.4008224     19.00000   2.200000  2.704790       2.241848      
1 1 1 11 2  12 o 11.29047  0.2540368     51.10000   2.300000  -1.122065      1.310232      
1 1 1 11 2  13 o 2.787239  0.8566313     3.100000   2.100000  1.600507       2.948963      
1 1 1 11 2  14 x ?         ?             ?          ?         0.8576007      3.290999      
1 1 1 11 3  0  o 18.17653  0.3158084     132.6000   4.600000  0.000000       0.000000      
1 1 1 11 3  1  o 43.00394  0.2783839     741.6000   9.600000  1.461319       1.691085      
1 1 1 11 3  2  o 15.71258  0.2380976     99.00000   3.000000  -0.8081474     1.330440      
1 1 1 11 3  3  o 17.11773  0.2331229     117.5000   3.200000  0.4412727      1.338522      
1 1 1 11 3  4  o 28.61712  0.2178839     328.4000   5.000000  -2.005043      1.107942      
1 1 1 11 3  5  o 61.39739  0.3188826     1512.100   15.70000  -3.152313      1.641674      
1 1 1 11 3  6  o 25.26900  0.2122079     256.1000   4.300000  -7.285709      1.250063      
1 1 1 11 3  7  o 5.350163  0.5193288     11.70000   2.200000  -0.4290342     2.417650      
1 1 1 11 3  8  o 11.16333  0.2792719     49.90000   2.500000  -0.4718876     1.484576      
1 1 1 11 3  9  o 8.178966  0.3506796     26.80000   2.300000  2.444901       1.885936      
1 1 1 11 3  10 f 3.604640  0.7834667     5.400000   2.200000  0.7858429      2.824414      
1 1 1 11 3  11 o 9.344572  0.3069372     35.00000   2.300000  -2.237890      1.576333      
1 1 1 11 3  12 o 5.913493  0.4677557     14.10000   2.200000  3.713165       2.614673      
1 1 1 11 3  13 x ?         ?             ?          ?         2.484107       2.922999      
1 1 1 11 4  0  o 2.439473  1.249707      3.500000   3.100000  0.000000       0.000000      
1 1 1 11 4  1  o 19.63455  0.2159430     154.6000   3.400000  -1.064777      1.094363      
1 1 1 11 4  2  f 22.55413  0.2156352     204.0000   3.900000  -0.8377457E-01 1.077965      
1 1 1 11 4  3  o 21.64493  0.2304543     187.9000   4.000000  0.2618713      1.071710      
1 1 1 11 4  4  o 5.925251  0.4884153     14.20000   2.300000  -4.510271      2.199022      
1 1 1 11 4  5  o 26.55263  0.2301281     283.0000   4.900000  0.8271904      1.148892      
1 1 1 11 4  6  o 6.077996  0.4756933     14.70000   2.300000  -4.433928      2.606189      
1 1 1 11 4  7  o 17.06550  0.2338363     116.7000   3.200000  -0.7643051     1.151297      
1 1 1 11 4  8  o 3.604944  0.8449445     5.400000   2.400000  -0.7072177     3.124610      
1 1 1 11 4  9  o 10.72502  0.3139401     46.10000   2.700000  -1.698997      1.658275      
1 1 1 11 4  10 o 5.009757  0.6100075     10.20000   2.400000  -3.083277      2.969028      
1 1 1 11 4  11 o 3.156291  0.8771673     4.100000   2.300000  -1.452878      2.854403      
1 1 1 11 4  12 o 2.754653  0.9025660     2.900000   2.300000  0.2709007E-01  3.111848      
1 1 1 11 4  13 x ?         ?             ?          ?         0.5826445      2.686153      
1 1 1 11 5  0  o 2.621859  1.331277      4.100000   3.500000  0.000000       0.000000      
1 1 1 11 5  1  o 8.164835  0.3665599     26.80000   2.400000  1.774350       2.022821      
1 1 1 11 5  2  o 10.61176  0.3055392     45.30000   2.600000  0.9760857      1.709766      
1 1 1 11 5  3  o 14.50909  0.2578471     85.50000   3.000000  -0.6610355     1.289468      
1 1 1 11 5  4  o 9.849856  0.3165127     38.80000   2.500000  0.7055283      1.549428      
1 1 1 11 5  5  o 11.45945  0.2938199     52.60000   2.700000  1.428902       1.318934      
1 1 1 11 5  6  o 3.673256  0.8032143     5.600000   2.300000  0.8444519      2.817976      
1 1 1 11 5  7  o 1.709442  0.7817360     -1.700000  2.400000  1.424850       2.287731      
1 1 1 11 5  8  o 7.244008  0.4323414     21.10000   2.500000  -2.173828      2.586518      
1 1 1 11 5  9  o 5.012632  0.5830890     10.20000   2.300000  -3.603749      2.788060      
1 1 1 11 5  10 o 4.439961  0.7273635     8.100000   2.500000  1.534638       3.105492      
1 1 1 11 5  11 x ?         ?             ?          ?         -2.099135      2.715084      
1 1 1 11 5  12 x ?         ?             ?          ?         0.1955976      2.924410      
1 1 1 11 6  0  o 5.242389  0.9485102     12.00000   3.600000  0.000000       0.000000      
1 1 1 11 6  1  o 12.94156  0.2794426     67.10000   2.900000  -2.651630      1.517632      
1 1 1 11 6  2  o 4.244868  0.7314698     7.400000   2.400000  -2.357687      3.131562      
1 1 1 11 6  3  o 12.46866  0.2800396     62.30000   2.800000  0.1531982E-01  1.408957      
1 1 1 11 6  4  o 7.175881  0.4365306     20.70000   2.500000  0.7233744      2.180776      
1 1 1 11 6  5  o 3.233870  0.8950749     4.300000   2.400000  0.3333848      2.630408      
1 1 1 11 6  6  o 1.977477  0.8561703     -0.4000000 2.500000  1.104939       2.761075      
1 1 1 11 6  7  o 6.943725  0.4514335     19.40000   2.500000  1.224843       2.124263      
1 1 1 11 6  8  o 2.055553  0.8723189     0.000000   2.500000  2.006809       2.822914      
1 1 1 11 6  9  o 2.136961  0.8972536     0.2000000  2.600000  0.4632320      2.749647      
1 1 1 11 6  10 x ?         ?             ?          ?         -0.6028519     2.782385      
1 1 1 11 6  11 x ?         ?             ?          ?         1.972664       3.165498      
1 1 1 11 7  0  o 9.373136  0.4954250     35.50000   3.700000  0.000000       0.000000      
1 1 1 11 7  1  o 2.848039  0.9603853     3.000000   2.600000  1.332755       3.003577      
1 1 1 11 7  2  o 6.978333  0.4855193     19.60000   2.700000  -1.565883      3.042425      
1 1 1 11 7  3  o 5.415117  0.6337681     11.90000   2.700000  -1.711280      3.310039      
1 1 1 11 7  4  o 6.155859  0.5528555     15.30000   2.700000  -5.240129      2.856740      
1 1 1 11 7  5  o 4.349633  0.7737790     7.800000   2.600000  -1.669946      3.192926      
1 1 1 11 7  6  o 1.982041  0.8654675     -0.6000000 2.600000  1.560441       2.854726      
1 1 1 11 7  7  o 3.338223  0.9092773     4.600000   2.500000  -0.3614931     3.164287      
1 1 1 11 7  8  o 8.253533  0.4079481     27.30000   2.700000  2.268541       1.989240      
1 1 1 11 7  9  x ?         ?             ?          ?         -0.8475099     3.231803      
1 1 1 11 8  0  o 2.504521  1.366567      3.500000   3.900000  -0.000000      0.000000      
1 1 1 11 8  1  o 3.830595  0.9489798     6.100000   2.900000  -1.807792      3.353613      
1 1 1 11 8  2  o 5.987811  0.5908410     14.50000   2.800000  -2.514224      3.343697      
1 1 1 11 8  3  o 9.915158  0.3773138     39.40000   3.000000  -1.435198      2.158421      
1 1 1 11 8  4  o 1.959030  0.8811845     -1.500000  2.900000  1.734006       2.944786      
1 1 1 11 8  5  o 2.753828  0.9761871     2.600000   2.700000  -0.5256562     3.349506      
1 1 1 11 8  6  o 5.316573  0.6717525     11.50000   2.800000  -2.669897      3.263972      
1 1 1 11 8  7  x ?         ?             ?          ?         0.2484183      3.443351      
1 1 1 11 8  8  x ?         ?             ?          ?         -0.5116911     3.145580      
1 1 1 11 9  0  o 2.454291  1.378134      3.200000   4.100000  0.000000       0.000000      
1 1 1 11 9  1  o 4.963101  0.7794757     10.10000   3.000000  -2.866229      3.399566      
1 1 1 11 9  2  x ?         ?             ?          ?         -0.8429394     2.903964      
1 1 1 11 9  3  x ?         ?             ?          ?         -1.685713      3.601770      
1 1 1 11 9  4  x ?         ?             ?          ?         3.090688       3.348475      
1 1 1 11 9  5  x ?         ?             ?          ?         0.5770292      3.304046      
1 1 1 12 1  0  o 72.71826  0.5659927     2121.100   33.00000  0.000000       0.000000      
1 1 1 12 1  1  o 23.78275  0.2097389     226.8000   4.000000  -0.3423042     1.054062      
1 1 1 12 1  2  o 45.63792  0.2595845     835.2000   9.500000  1.166634       1.353560      
1 1 1 12 1  3  o 2.730896  0.8819389     2.900000   2.200000  -1.669862      3.057521      
1 1 1 12 1  4  o 49.08775  0.2718265     966.3000   10.70000  -0.7900543     1.609315      
1 1 1 12 1  5  o 18.76459  0.2193087     141.2000   3.300000  -0.6435413     1.186598      
1 1 1 12 1  6  o 6.257012  0.4616578     15.80000   2.300000  2.495735       2.514359      
1 1 1 12 1  7  o 21.62476  0.2133691     187.6000   3.700000  -2.422611      1.178939      
1 1 1 12 1  8  o 21.48229  0.2205891     184.4000   3.800000  -2.289822      1.188972      
1 1 1 12 1  9  o 15.28268  0.2366353     93.60000   2.900000  -0.5674782     1.302690      
1 1 1 12 1  10 f 5.520965  0.4790848     12.30000   2.100000  -1.232133      1.961769      
1 1 1 12 1  11 o 5.426276  0.5116339     11.90000   2.200000  -0.6995583     2.687805      
1 1 1 12 1  12 o 1.824295  0.7963635     -0.5000000 2.200000  1.136594       2.867432      
1 1 1 12 1  13 o 2.041994  0.8384405     0.5000000  2.200000  0.3278108      2.774783      
1 1 1 12 1  14 x ?         ?             ?          ?         1.586713       2.329580      
1 1 1 12 2  0  o 38.09504  0.3437808     582.1000   10.50000  0.000000       0.000000      
1 1 1 12 2  1  o 16.50203  0.2267070     109.2000   3.000000  -1.641529      1.158465      
1 1 1 12 2  2  o 44.16373  0.2795442     782.2000   9.900000  0.3513565      1.529217      
1 1 1 12 2  3  o 17.87268  0.2302530     128.1000   3.300000  -0.5896721     1.250252      
1 1 1 12 2  4  o 36.90699  0.2500370     546.3000   7.400000  0.5915451E-01  1.396107      
1 1 1 12 2  5  o 19.84114  0.2262648     157.9000   3.600000  -0.9641743     1.246406      
1 1 1 12 2  6  o 9.823586  0.3427479     38.80000   2.700000  -0.4752970     1.851428      
1 1 1 12 2  7  o 22.96140  0.2118105     211.1000   3.900000  -1.337051      1.098978      
1 1 1 12 2  8  o 17.10801  0.2259661     117.3000   3.100000  0.4591942E-01  1.169258      
1 1 1 12 2  9  o 13.29979  0.2437864     70.90000   2.600000  3.348825       1.194349      
1 1 1 12 2  10 o 7.279230  0.4128558     21.30000   2.400000  0.8834877      2.058420      
1 1 1 12 2  11 o 1.661490  0.7553898     -1.400000  2.200000  -0.5892982     2.727566      
1 1 1 12 2  12 o 5.804592  0.4989758     13.60000   2.300000  0.4269810      2.717047      
1 1 1 12 2  13 x ?         ?             ?          ?         -0.2075214     3.077801      
1 1 1 12 3  0  o 24.45090  0.3214369     239.9000   6.300000  0.000000       0.000000      
1 1 1 12 3  1  o 21.87962  0.2279823     192.0000   4.000000  -0.9836426     1.220983      
1 1 1 12 3  2  o 23.88910  0.2349058     228.9000   4.500000  0.8541565      1.257209      
1 1 1 12 3  3  o 10.87906  0.3094949     47.50000   2.700000  0.2069111      1.704407      
1 1 1 12 3  4  o 23.55441  0.2170664     222.7000   4.100000  -0.4198456E-01 1.094832      
1 1 1 12 3  5  o 39.21957  0.2511918     608.1000   7.900000  -2.855240      1.306008      
1 1 1 12 3  6  o 8.771969  0.3554054     30.80000   2.500000  3.046673       1.925417      
1 1 1 12 3  7  o 9.865955  0.3159963     39.00000   2.500000  -0.7856579     1.638921      
1 1 1 12 3  8  o 7.582861  0.3960674     23.10000   2.400000  3.141491       0.4917326     
1 1 1 12 3  9  o 8.268890  0.3770282     27.40000   2.500000  -0.7542706E-01 2.020751      
1 1 1 12 3  10 o 13.19557  0.2551624     69.80000   2.700000  1.043617       1.382712      
1 1 1 12 3  11 o 3.366162  0.8794338     4.700000   2.400000  1.860326       3.142275      
1 1 1 12 3  12 x ?         ?             ?          ?         1.578985       3.087910      
1 1 1 12 4  0  o 5.010287  0.9441597     11.60000   3.400000  0.000000       0.000000      
1 1 1 12 4  1  o 13.41719  0.2602420     73.40000   2.800000  1.019491       1.348166      
1 1 1 12 4  2  o 20.22267  0.2219959     163.4000   3.600000  1.033638       1.118837      
1 1 1 12 4  3  o 9.304240  0.3752824     34.60000   2.800000  2.529489       1.858813      
1 1 1 12 4  4  o 12.81619  0.2724458     65.80000   2.800000  -0.5646820     1.326549      
1 1 1 12 4  5  o 14.74277  0.2622187     87.10000   3.100000  0.6566811E-01  1.263462      
1 1 1 12 4  6  o 9.386336  0.3587143     35.30000   2.700000  -2.530882      1.783169      
1 1 1 12 4  7  o 14.46786  0.2672013     83.90000   3.100000  -0.2062893     1.356287      
1 1 1 12 4  8  o 15.06712  0.2648506     91.00000   3.200000  0.9149971      1.329609      
1 1 1 12 4  9  o 10.73614  0.3252302     46.20000   2.800000  -0.3613968     1.632941      
1 1 1 12 4  10 o 13.26181  0.2915008     70.50000   3.100000  0.3761292E-02  1.487129      
1 1 1 12 4  11 x ?         ?             ?          ?         2.604504       3.011482      
1 1 1 12 5  0  o 4.348888  1.161478      9.000000   3.500000  0.000000       0.000000      
1 1 1 12 5  1  o 2.281416  0.9091091     1.000000   2.500000  -0.6711211     3.008321      
1 1 1 12 5  2  f 6.980989  0.4671443     19.60000   2.600000  -2.352034      2.906552      
1 1 1 12 5  3  o 9.557680  0.3522836     36.60000   2.700000  0.4268560      1.806445      
1 1 1 12 5  4  o 7.825206  0.4158342     24.60000   2.600000  0.2031136E-01  1.471658      
1 1 1 12 5  5  o 7.050782  0.4624122     20.00000   2.600000  2.945591       2.489765      
1 1 1 12 5  6  o 2.857236  0.9412235     3.100000   2.500000  -0.3992941     2.624145      
1 1 1 12 5  7  o 10.52512  0.3317508     44.40000   2.800000  3.180780       1.681918      
1 1 1 12 5  8  o 12.31583  0.2936401     60.80000   2.900000  -0.1520729E-01 1.491567      
1 1 1 12 5  9  o 4.109516  0.8177404     7.000000   2.600000  -2.868074      3.022095      
1 1 1 12 5  10 x ?         ?             ?          ?         1.745059       3.032128      
1 1 1 12 6  0  o 11.91165  0.4410745     57.10000   4.200000  -0.000000      0.000000      
1 1 1 12 6  1  o 9.465109  0.3689041     35.90000   2.800000  0.6502781      1.958393      
1 1 1 12 6  2  o 2.239367  0.9251804     0.5000000  2.700000  0.4114523      2.902079      
1 1 1 12 6  3  o 2.896966  0.9786711     3.100000   2.700000  -1.728038      3.051607      
1 1 1 12 6  4  o 11.13577  0.3359558     49.70000   3.000000  2.854460       1.884294      
1 1 1 12 6  5  f 3.765142  0.8773891     5.900000   2.600000  1.078642       3.175437      
1 1 1 12 6  6  o 4.227199  0.8261288     7.400000   2.700000  -0.1672549     3.226493      
1 1 1 12 6  7  o 2.838192  0.9782839     2.900000   2.700000  2.618271       2.927991      
1 1 1 12 6  8  x ?         ?             ?          ?         2.077325       2.741944      
1 1 1 12 6  9  x ?         ?             ?          ?         -1.293327      2.730636      
1 1 1 12 7  0  o 17.19636  0.3629538     118.7000   5.000000  0.000000       0.000000      
1 1 1 12 7  1  o 5.241592  0.7080695     11.20000   2.900000  1.381415       3.194296      
1 1 1 12 7  2  o 6.452898  0.5462365     16.80000   2.800000  2.402134       2.780543      
1 1 1 12 7  3  o 7.627177  0.4765372     23.40000   2.900000  0.2507467      2.917050      
1 1 1 12 7  4  o 4.944772  0.7279236     10.00000   2.800000  -2.374681      3.329139      
1 1 1 12 7  5  o 3.606614  0.9281460     5.400000   2.700000  2.123062       3.164725      
1 1 1 12 7  6  x ?         ?             ?          ?         0.5032649      2.942769      
1 1 1 12 7  7  x ?         ?             ?          ?         0.2259812      3.242913      
1 1 1 12 8  0  x ?         ?             ?          ?         -0.000000      0.000000      
1 1 1 12 8  1  x ?         ?             ?          ?         1.056091       3.498430      
1 1 1 12 8  2  x ?         ?             ?          ?         2.031398       3.000061      
1 1 1 12 8  3  x ?         ?             ?          ?         -1.496639      3.402741      
1 1 1 12 8  4  x ?         ?             ?          ?         0.9766040      3.030848      
1 1 1 12 8  5  x ?         ?             ?          ?         -2.452136      3.088950      
1 1 1 13 1  0  o 16.70234  0.3213179     112.0000   4.300000  -0.000000      0.000000      
1 1 1 13 1  1  o 9.552052  0.3263806     36.60000   2.500000  -1.509826      1.663295      
1 1 1 13 1  2  o 35.80642  0.2403086     514.2000   6.900000  0.5903053      1.211093      
1 1 1 13 1  3  o 3.922260  0.7586970     6.400000   2.300000  0.8545833      3.073976      
1 1 1 13 1  4  o 21.95746  0.2158155     193.4000   3.800000  -1.769180      1.123008      
1 1 1 13 1  5  o 3.252727  0.8662985     4.500000   2.300000  -3.634633      2.846367      
1 1 1 13 1  6  o 15.15493  0.2550873     91.90000   3.100000  -1.577175      1.471345      
1 1 1 13 1  7  o 10.62227  0.3052369     45.20000   2.600000  0.1142750      1.721463      
1 1 1 13 1  8  o 8.522236  0.3511873     29.10000   2.400000  1.887821       1.949827      
1 1 1 13 1  9  o 6.981051  0.4308232     19.60000   2.400000  3.030050       2.176990      
1 1 1 13 1  10 o 7.244522  0.4148512     21.10000   2.400000  2.647347       2.334237      
1 1 1 13 1  11 o 2.418972  0.8782676     1.900000   2.200000  -3.019730      2.919914      
1 1 1 13 1  12 x ?         ?             ?          ?         1.422656       1.866376      
1 1 1 13 1  13 x ?         ?             ?          ?         1.045819       3.164161      
1 1 1 13 2  0  o 2.778587  1.345843      4.600000   3.500000  0.000000       0.000000      
1 1 1 13 2  1  o 7.302398  0.4115292     21.50000   2.400000  -1.010016      2.103368      
1 1 1 13 2  2  o 28.67243  0.2261622     330.0000   5.200000  -0.2046356     1.132403      
1 1 1 13 2  3  o 18.92674  0.2306074     144.3000   3.500000  1.240631       1.223909      
1 1 1 13 2  4  o 10.37863  0.3244178     43.00000   2.700000  -0.8372726     1.908779      
1 1 1 13 2  5  o 6.204638  0.5483037     15.50000   2.700000  -2.406404      2.421678      
1 1 1 13 2  6  o 3.994192  0.8082816     6.600000   2.500000  0.6445117      3.301332      
1 1 1 13 2  7  o 17.63820  0.2403842     124.7000   3.400000  -0.1587582     1.285125      
1 1 1 13 2  8  o 8.314380  0.3899640     27.70000   2.600000  0.3323450      2.106196      
1 1 1 13 2  9  o 7.976972  0.3908256     25.50000   2.500000  2.387335       2.305468      
1 1 1 13 2  10 o 8.579432  0.3779165     29.50000   2.600000  -1.810589      2.021237      
1 1 1 13 2  11 f 2.301386  0.9116135     1.100000   2.500000  -0.5639710     3.260432      
1 1 1 13 2  12 x ?         ?             ?          ?         0.1329112E-01  2.480827      
1 1 1 13 3  0  o 14.33061  0.3572817     82.40000   4.100000  -0.000000      0.000000      
1 1 1 13 3  1  f 13.06041  0.2864479     68.30000   3.000000  -2.689781      1.507552      
1 1 1 13 3  2  o 8.173727  0.4132730     26.80000   2.700000  -0.7118969     2.425300      
1 1 1 13 3  3  o 1.818881  0.8247268     -1.600000  2.600000  -1.231019      3.209728      
1 1 1 13 3  4  o 7.035787  0.4454052     19.90000   2.500000  0.1678810      2.536219      
1 1 1 13 3  5  o 12.11281  0.2882666     58.80000   2.800000  2.053535       1.388090      
1 1 1 13 3  6  o 3.988096  0.8395493     6.600000   2.600000  -0.8643236     3.305638      
1 1 1 13 3  7  o 11.89371  0.2935767     56.70000   2.800000  2.675276       1.545634      
1 1 1 13 3  8  o 7.596936  0.4285413     23.20000   2.600000  -0.4193382     2.132482      
1 1 1 13 3  9  f 3.184947  0.9477798     4.100000   2.600000  1.440219       3.156185      
1 1 1 13 3  10 o 4.549282  0.7379943     8.500000   2.600000  -2.124964      3.254306      
1 1 1 13 3  11 x ?         ?             ?          ?         0.4093838E-01  3.342744      
1 1 1 13 4  0  o 11.90403  0.4202194     57.00000   4.000000  0.000000       0.000000      
1 1 1 13 4  1  o 2.704390  0.9580162     2.500000   2.600000  3.241466       3.124369      
1 1 1 13 4  2  o 9.648780  0.3748062     37.30000   2.900000  3.509049       1.770947      
1 1 1 13 4  3  o 6.455832  0.5261219     16.80000   2.700000  3.869424       3.141062      
1 1 1 13 4  4  o 2.443783  0.9536230     1.400000   2.700000  -0.5252666     3.241820      
1 1 1 13 4  5  o 8.950420  0.4040505     32.10000   2.900000  -1.435436      2.072624      
1 1 1 13 4  6  o 7.137411  0.4744439     20.50000   2.700000  1.226120       2.663478      
1 1 1 13 4  7  o 6.174095  0.5720421     15.40000   2.800000  0.5720482      3.220932      
1 1 1 13 4  8  o 2.984033  0.9779145     3.400000   2.700000  2.114298       3.029643      
1 1 1 13 4  9  x ?         ?             ?          ?         -2.792339      3.267975      
1 1 1 13 4  10 x ?         ?             ?          ?         0.5024028      3.101241      
1 1 1 13 5  0  o 1.904440  1.195197      0.7000000  3.800000  0.000000       0.000000      
1 1 1 13 5  1  o 6.813058  0.5163414     18.70000   2.800000  2.725083       2.998805      
1 1 1 13 5  2  o 2.779298  0.9931489     2.600000   2.800000  -1.675229      2.975259      
1 1 1 13 5  3  o 5.196419  0.6889316     11.00000   2.800000  2.251898       2.941214      
1 1 1 13 5  4  o 7.274374  0.5001851     21.30000   2.900000  -4.969646      2.718961      
1 1 1 13 5  5  o 5.478466  0.6743525     12.20000   2.900000  -0.3598690E-01 3.195781      
1 1 1 13 5  6  o 8.466644  0.4285329     28.80000   2.900000  4.196177       2.369602      
1 1 1 13 5  7  o 2.671849  0.9725243     2.300000   2.700000  0.8531330      2.822994      
1 1 1 13 5  8  x ?         ?             ?          ?         -0.7966814     3.064887      
1 1 1 13 5  9  x ?         ?             ?          ?         3.668172       3.234760      
1 1 1 13 6  0  o 6.125106  0.9153211     16.00000   4.200000  -0.000000      0.000000      
1 1 1 13 6  1  o 6.231310  0.6081266     15.70000   3.000000  -0.1942930     2.966245      
1 1 1 13 6  2  o 7.187459  0.5063950     20.80000   2.900000  -0.2624016     3.194883      
1 1 1 13 6  3  o 3.331424  0.9816105     4.500000   2.800000  -1.440537      3.236072      
1 1 1 13 6  4  o 6.331438  0.5979610     16.20000   3.000000  0.9479418      2.564888      
1 1 1 13 6  5  x ?         ?             ?          ?         -1.796694      3.105305      
1 1 1 13 6  6  x ?         ?             ?          ?         -3.297097      2.996137      
1 1 1 13 6  7  x ?         ?             ?          ?         0.1744456      2.889120      
1 1 1 13 7  0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 13 7  1  x ?         ?             ?          ?         0.1839216      2.776547      
1 1 1 13 7  2  x ?         ?             ?          ?         1.210627       2.738373      
1 1 1 13 7  3  x ?         ?             ?          ?         1.020050       3.535211      
1 1 1 13 7  4  x ?         ?             ?          ?         1.606988       3.343709      
1 1 1 14 1  0  o 2.580575  1.311716      3.600000   3.400000  0.000000       0.000000      
1 1 1 14 1  1  f 10.98840  0.2950667     48.20000   2.600000  -1.220922      1.522385      
1 1 1 14 1  2  o 5.370433  0.5902507     11.60000   2.500000  -2.188980      2.989648      
1 1 1 14 1  3  o 16.56311  0.2409291     109.9000   3.200000  -0.3427696E-01 1.288333      
1 1 1 14 1  4  f 8.798779  0.3684953     31.00000   2.600000  -1.593047      1.959506      
1 1 1 14 1  5  o 14.40854  0.2683014     83.20000   3.100000  -1.930391      1.245650      
1 1 1 14 1  6  o 4.579988  0.7326227     8.600000   2.600000  -1.168262      3.214006      
1 1 1 14 1  7  o 12.45736  0.2903040     62.20000   2.900000  -1.911098      1.660859      
1 1 1 14 1  8  o 3.860987  0.8616199     6.200000   2.600000  0.2111359      3.356311      
1 1 1 14 1  9  o 4.714877  0.7096727     9.100000   2.600000  1.060832       3.471426      
1 1 1 14 1  10 o 10.32144  0.3382976     42.70000   2.800000  2.235699       1.813442      
1 1 1 14 1  11 x ?         ?             ?          ?         0.3593264      3.149479      
1 1 1 14 2  0  o 11.79866  0.4346824     56.00000   4.100000  0.000000       0.000000      
1 1 1 14 2  1  o 3.542626  0.8831249     5.200000   2.500000  -0.4633889     3.186261      
1 1 1 14 2  2  o 10.59802  0.3294688     45.00000   2.800000  -0.4777546     1.528247      
1 1 1 14 2  3  o 8.768205  0.3697802     30.80000   2.600000  -1.702744      1.829487      
1 1 1 14 2  4  o 9.020533  0.3870855     32.60000   2.800000  1.975306       1.813612      
1 1 1 14 2  5  o 10.97809  0.3180625     48.30000   2.800000  -0.7915783     1.857491      
1 1 1 14 2  6  o 8.318887  0.4211054     27.80000   2.800000  0.6756039      2.675207      
1 1 1 14 2  7  o 4.257442  0.8206071     7.500000   2.700000  -2.858759      3.229598      
1 1 1 14 2  8  f 2.875727  0.9604312     3.100000   2.600000  1.110848       3.133771      
1 1 1 14 2  9  o 6.740688  0.4842323     18.30000   2.600000  -1.090880      2.816215      
1 1 1 14 2  10 x ?         ?             ?          ?         1.257915       3.013191      
1 1 1 14 3  0  o 12.48375  0.4508536     62.70000   4.500000  0.000000       0.000000      
1 1 1 14 3  1  o 4.282665  0.8740190     7.600000   2.900000  0.2673197E-01  3.220904      
1 1 1 14 3  2  o 10.20118  0.3667346     41.70000   3.000000  -0.6770706E-01 2.122605      
1 1 1 14 3  3  o 8.423073  0.4307884     28.50000   2.900000  1.642466       2.483915      
1 1 1 14 3  4  o 4.923357  0.7039241     9.900000   2.700000  -3.383928      3.151243      
1 1 1 14 3  5  o 1.724662  0.8076964     -2.900000  2.800000  3.175483       3.193982      
1 1 1 14 3  6  o 3.217028  0.9453360     4.200000   2.600000  -2.575204      3.213380      
1 1 1 14 3  7  o 8.447884  0.4133245     28.60000   2.800000  0.6901045      2.258201      
1 1 1 14 3  8  o 4.517205  0.7731751     8.400000   2.700000  -2.185073      3.160165      
1 1 1 14 3  9  x ?         ?             ?          ?         4.120681       3.125875      
1 1 1 14 4  0  o 2.622622  1.360017      4.000000   3.700000  -0.000000      0.000000      
1 1 1 14 4  1  o 5.595754  0.6352516     12.70000   2.800000  -1.512128      3.241331      
1 1 1 14 4  2  o 5.429428  0.7057328     12.00000   3.000000  2.797259       3.273675      
1 1 1 14 4  3  o 4.194764  0.8612425     7.300000   2.800000  -0.5798826     3.382362      
1 1 1 14 4  4  o 2.577632  0.9931802     1.700000   2.900000  2.690491       3.193567      
1 1 1 14 4  5  o 2.860602  0.9956520     2.900000   2.800000  -0.3819728     3.282855      
1 1 1 14 4  6  o 2.553922  0.9906125     1.600000   2.900000  0.6426144      3.280710      
1 1 1 14 4  7  x ?         ?             ?          ?         -3.654206      3.125486      
1 1 1 14 4  8  x ?         ?             ?          ?         0.2071810      2.928503      
1 1 1 14 5  0  o 7.395676  0.7603289     22.60000   4.400000  0.000000       0.000000      
1 1 1 14 5  1  o 4.859250  0.7975778     9.700000   3.000000  -0.1076341     3.623008      
1 1 1 14 5  2  o 5.943197  0.6175133     14.30000   2.900000  -3.697663      3.031426      
1 1 1 14 5  3  o 3.862447  0.9699476     6.200000   3.000000  -0.2234387     3.364133      
1 1 1 14 5  4  x ?         ?             ?          ?         3.277845       3.123392      
1 1 1 14 5  5  x ?         ?             ?          ?         -1.101896      2.882081      
1 1 1 14 5  6  x ?         ?             ?          ?         0.2726412      3.483525      
1 1 1 14 6  0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 14 6  1  x ?         ?             ?          ?         0.2592182      3.325765      
1 1 1 14 6  2  x ?         ?             ?          ?         0.9507616      2.729167      
1 1 1 14 6  3  x ?         ?             ?          ?         -1.467044      3.032229      
1 1 1 14 6  4  x ?         ?             ?          ?         3.368155       3.075635      
1 1 1 15 1  0  f 11.50685  0.4458529     53.30000   4.100000  0.000000       0.000000      
1 1 1 15 1  1  o 7.014773  0.4829311     19.80000   2.700000  -1.386415      1.958070      
1 1 1 15 1  2  o 4.292462  0.7842489     7.600000   2.600000  -0.3763332     2.518701      
1 1 1 15 1  3  o 5.971583  0.5491080     14.40000   2.600000  1.285757       2.868190      
1 1 1 15 1  4  o 4.490438  0.7780043     8.300000   2.700000  -5.461965      2.879730      
1 1 1 15 1  5  o 9.543641  0.3789352     36.50000   2.900000  0.2162552      1.966315      
1 1 1 15 1  6  o 7.294405  0.4466439     21.40000   2.600000  -1.390582      2.223901      
1 1 1 15 1  7  o 7.099760  0.5128226     20.30000   2.900000  0.9986305E-01  2.710464      
1 1 1 15 1  8  o 1.569047  0.7551100     -4.300000  2.800000  -0.7655375     2.519170      
1 1 1 15 1  9  x ?         ?             ?          ?         7.483796       3.214383      
1 1 1 15 1  10 x ?         ?             ?          ?         2.094808       3.372736      
1 1 1 15 2  0  o 16.25763  0.3532196     106.1000   4.600000  0.000000       0.000000      
1 1 1 15 2  1  o 8.151202  0.4453531     26.70000   2.900000  0.4080696      2.320377      
1 1 1 15 2  2  o 6.976681  0.5038734     19.60000   2.800000  -0.7621469     2.530757      
1 1 1 15 2  3  f 5.879767  0.6246275     14.00000   2.900000  2.631062       2.901222      
1 1 1 15 2  4  o 3.135689  0.9725921     3.900000   2.700000  1.215238       3.250560      
1 1 1 15 2  5  o 9.358724  0.3997474     35.10000   3.000000  0.8943052      2.261633      
1 1 1 15 2  6  o 1.485007  0.7240635     -5.200000  2.800000  0.7002926      3.029796      
1 1 1 15 2  7  o 5.075254  0.6805604     10.50000   2.700000  -1.946039      3.375337      
1 1 1 15 2  8  x ?         ?             ?          ?         1.893375       3.202652      
1 1 1 15 2  9  x ?         ?             ?          ?         -0.7873516     2.934417      
1 1 1 15 3  0  o 1.592631  1.089617      -2.900000  4.400000  0.000000       0.000000      
1 1 1 15 3  1  o 4.749890  0.8448383     9.300000   3.100000  -0.1282063     3.594129      
1 1 1 15 3  2  o 3.040999  1.031589      3.400000   3.000000  -3.149553      3.217125      
1 1 1 15 3  3  o 2.326871  0.9785063     0.2000000  3.100000  0.4171369      2.729066      
1 1 1 15 3  4  o 1.871995  0.8572614     -2.100000  2.900000  0.9100394      2.829067      
1 1 1 15 3  5  o 2.596179  0.9817593     1.900000   2.800000  -1.954128      3.195626      
1 1 1 15 3  6  x ?         ?             ?          ?         1.108177       3.144644      
1 1 1 15 3  7  x ?         ?             ?          ?         -2.007361      3.521044      
1 1 1 15 4  0  o 6.067945  0.9542117     15.80000   4.300000  0.000000       0.000000      
1 1 1 15 4  1  o 2.162237  0.9370249     -0.5000000 3.000000  1.260115       2.948243      
1 1 1 15 4  2  x ?         ?             ?          ?         -1.650614      3.581871      
1 1 1 15 4  3  x ?         ?             ?          ?         1.651884       2.931533      
1 1 1 15 4  4  x ?         ?             ?          ?         -1.809345      2.955670      
1 1 1 15 4  5  x ?         ?             ?          ?         -0.1709781     3.462751      
1 1 1 15 5  0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 15 5  1  x ?         ?             ?          ?         1.770654       2.865620      
1 1 1 15 5  2  x ?         ?             ?          ?         2.317259       3.318375      
1 1 1 16 1  0  o 7.778171  0.6856222     24.80000   4.200000  0.000000       0.000000      
1 1 1 16 1  1  o 8.550993  0.4229242     29.30000   2.900000  1.575070       2.411363      
1 1 1 16 1  2  o 4.342011  0.8344886     7.800000   2.800000  0.4734392      3.383209      
1 1 1 16 1  3  f 2.516249  0.9610574     1.700000   2.700000  -2.012794      3.230379      
1 1 1 16 1  4  o 4.253748  0.8505796     7.500000   2.800000  -0.7760596     3.255542      
1 1 1 16 1  5  o 5.017847  0.7431850     10.30000   2.900000  -1.091966      3.274181      
1 1 1 16 1  6  o 3.454857  0.9705606     4.900000   2.800000  0.1501298      3.322911      
1 1 1 16 1  7  x ?         ?             ?          ?         1.155771       3.062981      
1 1 1 16 1  8  x ?         ?             ?          ?         1.159604       2.741492      
1 1 1 16 2  0  o 6.738256  0.8295197     19.00000   4.300000  0.000000       0.000000      
1 1 1 16 2  1  o 9.915336  0.4024609     39.40000   3.200000  1.471762       2.041810      
1 1 1 16 2  2  f 3.423882  1.038557      4.700000   3.100000  0.6273890      3.141688      
1 1 1 16 2  3  o 5.061357  0.7895631     10.50000   3.100000  4.780097       3.227197      
1 1 1 16 2  4  x ?         ?             ?          ?         -1.037132      3.382785      
1 1 1 16 2  5  x ?         ?             ?          ?         1.691466       2.971745      
1 1 1 16 2  6  x ?         ?             ?          ?         1.049606       3.374426      
1 1 1 16 3  0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 16 3  1  x ?         ?             ?          ?         2.692391       3.261159      
1 1 1 16 3  2  x ?         ?             ?          ?         0.8786435      3.438838      
1 1 1 16 3  3  x ?         ?             ?          ?         -2.286948      3.728228      
1 1 1 16 3  4  x ?         ?             ?          ?         1.343741       3.371495      
1 1 1 17 1  0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 17 1  1  x ?         ?             ?          ?         4.559591       2.540437      
1 1 1 17 1  2  x ?         ?             ?          ?         0.5600119E-01  3.185622      
1 1 1 17 1  3  x ?         ?             ?          ?         2.173933       3.032134      
1 1 1 17 1  4  x ?         ?             ?          ?         -0.4769328     2.584672      
1 1 1 17 1  5  x ?         ?             ?          ?         -1.692548      3.025364      
1 1 1 17 2  0  x ?         ?             ?          ?         0.000000       0.000000      
1 1 1 17 2  1  x ?         ?             ?          ?         2.999781       3.371490      
# 
#END OF REFLECTIONS
