data_r6dxjsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2019-01-23 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      6dxj 
_cell.length_a      44.1740 
_cell.length_b      44.1740 
_cell.length_c      24.2810 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.07800 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.552 
_diffrn_reflns.pdbx_d_res_low    31.238 
_diffrn_reflns.limit_h_max       28 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       20 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       15 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            3768 
_diffrn_reflns.pdbx_number_obs   3058 
# 
_entry.id   6dxj 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               6dxj 
_symmetry.space_group_name_H-M   "P 43 21 2" 
_symmetry.Int_Tables_number      96 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"               
2 "-Y+1/2,  X+1/2,  Z+3/4"  
3 "Y+1/2,  -X+1/2,  Z+1/4"  
4 "X+1/2,  -Y+1/2,  -Z+1/4" 
5 "-X+1/2,  Y+1/2,  -Z+3/4" 
6 "-X,  -Y,  Z+1/2"         
7 "Y,  X,  -Z"              
8 "-Y,  -X,  -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  4  x ?        ?         ?          ?        ?              ?         
1 1 1 0  0  8  x ?        ?         ?          ?        ?              ?         
1 1 1 0  0  12 o 11.82968 1.247564  34.70000   6.900000 -0.000000      0.000000  
1 1 1 1  0  1  x ?        ?         ?          ?        ?              ?         
1 1 1 1  0  2  x ?        ?         ?          ?        ?              ?         
1 1 1 1  0  3  o 58.92433 0.4210119 833.0000   11.90000 -0.000000      0.000000  
1 1 1 1  0  4  x ?        ?         ?          ?        ?              ?         
1 1 1 1  0  5  x ?        ?         ?          ?        ?              ?         
1 1 1 1  0  6  o 228.8431 1.613324  12564.90   177.1000 0.000000       0.000000  
1 1 1 1  0  7  o 79.30785 0.4757620 1508.900   18.10000 -0.000000      0.000000  
1 1 1 1  0  8  o 269.8575 1.491660  17472.40   193.1000 0.000000       0.000000  
1 1 1 1  0  9  o 105.5965 0.6179031 2675.300   31.30000 -0.000000      0.000000  
1 1 1 1  0  10 o 44.02912 0.3077607 465.1000   6.500000 -0.000000      0.000000  
1 1 1 1  0  11 o 22.70024 0.3307288 123.7000   3.600000 0.000000       0.000000  
1 1 1 1  0  12 o 103.2161 0.6240780 2557.800   30.90000 -0.000000      0.000000  
1 1 1 1  0  13 o 25.90818 0.3783221 161.2000   4.700000 0.000000       0.000000  
1 1 1 1  0  14 o 16.80133 0.5222144 68.00000   4.200000 0.000000       0.000000  
1 1 1 1  0  15 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 1  1  0  x ?        ?         ?          ?        ?              ?         
1 1 1 1  1  1  x ?        ?         ?          ?        ?              ?         
1 1 1 1  1  2  o ?        ?         340.3000   5.500000 -0.000000      0.000000  
1 1 1 1  1  3  x ?        ?         ?          ?        ?              ?         
1 1 1 1  1  4  x ?        ?         ?          ?        ?              ?         
1 1 1 1  1  5  x ?        ?         ?          ?        ?              ?         
1 1 1 1  1  6  x ?        ?         ?          ?        ?              ?         
1 1 1 1  1  7  f 37.23930 0.2743088 332.7000   4.900000 -0.000000      0.000000  
1 1 1 1  1  8  o 77.86750 0.4658221 1454.600   17.40000 -0.000000      0.000000  
1 1 1 1  1  9  o 37.65035 0.2934664 340.1000   5.300000 0.000000       0.000000  
1 1 1 1  1  10 o 67.87675 0.4268984 1105.400   13.90000 -0.000000      0.000000  
1 1 1 1  1  11 o 28.84498 0.3542138 199.7000   4.900000 0.000000       0.000000  
1 1 1 1  1  12 o 10.26807 0.6348717 25.60000   3.100000 -0.000000      0.000000  
1 1 1 1  1  13 o 36.89096 0.3560441 326.7000   6.300000 0.000000       0.000000  
1 1 1 1  1  14 o 64.89314 0.5043733 1011.600   15.70000 -0.000000      0.000000  
1 1 1 1  1  15 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 2  0  0  x ?        ?         ?          ?        ?              ?         
1 1 1 2  0  1  o ?        ?         48.60000   1.400000 -0.000000      0.000000  
1 1 1 2  0  2  x ?        ?         ?          ?        ?              ?         
1 1 1 2  0  3  x ?        ?         ?          ?        ?              ?         
1 1 1 2  0  4  x ?        ?         ?          ?        ?              ?         
1 1 1 2  0  5  x ?        ?         ?          ?        ?              ?         
1 1 1 2  0  6  o 201.6504 1.204353  9755.400   116.5000 0.000000       0.000000  
1 1 1 2  0  7  o 230.7849 1.368459  12778.10   151.5000 0.000000       0.000000  
1 1 1 2  0  8  o 148.1546 0.8371922 5265.900   59.50000 0.000000       0.000000  
1 1 1 2  0  9  o 38.79561 0.2901737 361.1000   5.400000 0.000000       0.000000  
1 1 1 2  0  10 o 84.41122 0.5087386 1709.600   20.60000 -0.000000      0.000000  
1 1 1 2  0  11 o 22.17077 0.3292269 118.0000   3.500000 -0.000000      0.000000  
1 1 1 2  0  12 o 57.50460 0.4096544 793.6000   11.30000 0.000000       0.000000  
1 1 1 2  0  13 f 21.66804 0.3947131 112.8000   4.100000 -0.000000      0.000000  
1 1 1 2  0  14 o 19.65895 0.4990714 93.00000   4.700000 -0.000000      0.000000  
1 1 1 2  0  15 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 2  1  0  x ?        ?         ?          ?        ?              ?         
1 1 1 2  1  1  x ?        ?         ?          ?        ?              ?         
1 1 1 2  1  2  x ?        ?         ?          ?        ?              ?         
1 1 1 2  1  3  x ?        ?         ?          ?        ?              ?         
1 1 1 2  1  4  o 219.0902 1.997967  11516.90   210.0000 0.000000       1.941645  
1 1 1 2  1  5  x ?        ?         ?          ?        ?              ?         
1 1 1 2  1  6  o 212.8268 0.8638424 10865.60   88.20000 2.775604       1.659803  
1 1 1 2  1  7  o 152.0513 0.6100453 5545.800   44.50000 4.972366       1.187155  
1 1 1 2  1  8  o 308.0250 1.232299  22761.30   182.1000 0.2642212      2.281511  
1 1 1 2  1  9  o 61.26583 0.2755871 900.4000   8.100000 -0.9678612     0.5719714 
1 1 1 2  1  10 f 79.73786 0.3476796 1525.200   13.30000 -1.189133      0.6807539 
1 1 1 2  1  11 o 23.42237 0.2580830 131.6000   2.900000 3.946812       0.4316675 
1 1 1 2  1  12 o 40.35219 0.2479513 390.6000   4.800000 -0.5406685     0.4641614 
1 1 1 2  1  13 o 42.56361 0.2791441 434.6000   5.700000 -0.6185608     0.5213103 
1 1 1 2  1  14 o 33.89479 0.2890394 275.6000   4.700000 0.1555309      0.4829911 
1 1 1 2  1  15 x ?        ?         ?          ?        0.3787146      0.6146654 
1 1 1 2  2  0  x ?        ?         ?          ?        ?              ?         
1 1 1 2  2  1  x ?        ?         ?          ?        ?              ?         
1 1 1 2  2  2  x ?        ?         ?          ?        ?              ?         
1 1 1 2  2  3  x ?        ?         ?          ?        ?              ?         
1 1 1 2  2  4  x ?        ?         ?          ?        ?              ?         
1 1 1 2  2  5  o 83.32600 0.5328821 1665.700   21.30000 0.000000       0.000000  
1 1 1 2  2  6  o 156.9451 0.9510278 5909.300   71.60000 -0.000000      0.000000  
1 1 1 2  2  7  o 307.2442 2.120337  22650.30   312.5000 -0.000000      0.000000  
1 1 1 2  2  8  o 54.34167 0.4488609 708.5000   11.70000 -0.000000      0.000000  
1 1 1 2  2  9  o 65.30531 0.4373288 1023.200   13.70000 -0.000000      0.000000  
1 1 1 2  2  10 o 4.903426 1.122483  6.600000   2.300000 0.000000       0.000000  
1 1 1 2  2  11 o 41.59642 0.3608630 415.2000   7.200000 0.000000       0.000000  
1 1 1 2  2  12 o 90.63680 0.5934023 1972.300   25.80000 0.000000       0.000000  
1 1 1 2  2  13 o 3.311712 1.779441  3.800000   3.900000 -0.000000      0.000000  
1 1 1 2  2  14 o 43.12155 0.4351509 446.6000   9.000000 0.000000       0.000000  
1 1 1 2  2  15 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 3  0  1  o ?        ?         4835.800   76.10000 -0.000000      0.000000  
1 1 1 3  0  2  x ?        ?         ?          ?        ?              ?         
1 1 1 3  0  3  o 137.8652 0.9904421 4560.300   65.50000 0.000000       0.000000  
1 1 1 3  0  4  x ?        ?         ?          ?        ?              ?         
1 1 1 3  0  5  o 267.8531 4.240513  17233.90   544.6000 -0.000000      0.000000  
1 1 1 3  0  6  o 169.2849 1.024550  6875.100   83.20000 0.000000       0.000000  
1 1 1 3  0  7  f 112.6127 0.6478958 3042.300   35.00000 0.000000       0.000000  
1 1 1 3  0  8  o 72.04194 0.4398320 1245.100   15.20000 0.000000       0.000000  
1 1 1 3  0  9  o 40.45713 0.3143300 392.7000   6.100000 0.000000       0.000000  
1 1 1 3  0  10 o 103.1722 0.6162601 2554.200   30.50000 0.000000       0.000000  
1 1 1 3  0  11 o 82.14112 0.5583408 1619.300   22.00000 -0.000000      0.000000  
1 1 1 3  0  12 f 103.6758 0.6655537 2581.100   33.10000 -0.000000      0.000000  
1 1 1 3  0  13 o 36.87647 0.3901229 326.5000   6.900000 -0.000000      0.000000  
1 1 1 3  0  14 o 49.14304 0.4666712 580.1000   11.00000 -0.000000      0.000000  
1 1 1 3  0  15 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 3  1  0  x ?        ?         ?          ?        ?              ?         
1 1 1 3  1  1  x ?        ?         ?          ?        ?              ?         
1 1 1 3  1  2  f ?        ?         7063.900   74.40000 -6.034912      1.771427  
1 1 1 3  1  3  x ?        ?         ?          ?        ?              ?         
1 1 1 3  1  4  o 189.4377 0.9066780 8608.600   82.40000 -13.52061      1.784960  
1 1 1 3  1  5  o 104.1324 0.5664908 2601.100   28.30000 8.202148       1.024816  
1 1 1 3  1  6  o 261.9237 1.291623  16458.20   162.3000 2.757141       2.471541  
1 1 1 3  1  7  o 101.7124 0.5943143 2481.600   29.00000 16.11855       0.9436926 
1 1 1 3  1  8  o 158.4196 0.6539426 6020.200   49.70000 5.461853       1.267720  
1 1 1 3  1  9  o 119.7594 0.5082360 3440.900   29.20000 -1.007843      0.9830695 
1 1 1 3  1  10 o 81.96490 0.3712933 1611.600   14.60000 -1.285789      0.7181801 
1 1 1 3  1  11 o 37.40358 0.2619249 335.6000   4.700000 -4.602173      0.4875927 
1 1 1 3  1  12 o 39.48524 0.2639534 374.0000   5.000000 -0.6216507     0.4811168 
1 1 1 3  1  13 o 3.970417 1.310752  3.600000   2.900000 0.2628257      1.640967  
1 1 1 3  1  14 o 7.583838 0.8969036 14.00000   3.200000 -0.2230954     1.362447  
1 1 1 3  1  15 x ?        ?         ?          ?        0.6365433      0.6148164 
1 1 1 3  2  0  x ?        ?         ?          ?        ?              ?         
1 1 1 3  2  1  x ?        ?         ?          ?        ?              ?         
1 1 1 3  2  2  x ?        ?         ?          ?        ?              ?         
1 1 1 3  2  3  x ?        ?         ?          ?        ?              ?         
1 1 1 3  2  4  o 68.48340 0.3987293 1125.000   13.10000 -2.312111      0.7967699 
1 1 1 3  2  5  o 321.4102 3.526726  24797.50   543.8000 0.000000       3.309378  
1 1 1 3  2  6  f 360.2083 5.568637  31198.50   962.3000 0.000000       5.160557  
1 1 1 3  2  7  o 171.9601 0.7297280 7093.200   60.20000 6.672653       1.385843  
1 1 1 3  2  8  o 116.2248 0.5039644 3240.300   28.10000 -3.660774      0.9899684 
1 1 1 3  2  9  o 29.39736 0.1985372 207.3000   2.800000 -0.8178177     0.4046342 
1 1 1 3  2  10 o 85.41633 0.4002166 1750.200   16.40000 3.224487       0.7901237 
1 1 1 3  2  11 o 18.18179 0.2866127 79.30000   2.500000 3.099630       0.4529959 
1 1 1 3  2  12 o 86.45382 0.4050580 1793.100   16.80000 0.8233795      0.7492502 
1 1 1 3  2  13 o 62.14864 0.3286901 926.6000   9.800000 0.5691795      0.5610653 
1 1 1 3  2  14 o 22.52322 0.3424233 121.7000   3.700000 -0.3564548     0.5445610 
1 1 1 3  2  15 x ?        ?         ?          ?        1.503182       1.056834  
1 1 1 3  3  0  o ?        ?         8102.100   253.9000 0.000000       0.000000  
1 1 1 3  3  1  o ?        ?         13057.10   233.6000 -0.000000      0.000000  
1 1 1 3  3  2  x ?        ?         ?          ?        ?              ?         
1 1 1 3  3  3  o 144.4401 0.9525564 5005.300   66.00000 0.000000       0.000000  
1 1 1 3  3  4  x ?        ?         ?          ?        ?              ?         
1 1 1 3  3  5  x ?        ?         ?          ?        ?              ?         
1 1 1 3  3  6  o 154.7858 0.9319713 5747.800   69.20000 0.000000       0.000000  
1 1 1 3  3  7  o 131.9673 0.8024644 4178.000   50.80000 0.000000       0.000000  
1 1 1 3  3  8  o 121.0608 0.7456131 3516.100   43.30000 -0.000000      0.000000  
1 1 1 3  3  9  o 233.0038 1.385846  13033.90   154.9000 0.000000       0.000000  
1 1 1 3  3  10 o 24.82440 0.3107910 147.9000   3.700000 0.000000       0.000000  
1 1 1 3  3  11 o 40.79741 0.3474877 399.4000   6.800000 -0.000000      0.000000  
1 1 1 3  3  12 f 38.91161 0.3643406 363.4000   6.800000 0.000000       0.000000  
1 1 1 3  3  13 o 39.74234 0.3829591 379.2000   7.300000 -0.000000      0.000000  
1 1 1 3  3  14 o 23.16270 0.4683896 129.0000   5.200000 -0.000000      0.000000  
1 1 1 3  3  15 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 4  0  0  x ?        ?         ?          ?        ?              ?         
1 1 1 4  0  1  x ?        ?         ?          ?        ?              ?         
1 1 1 4  0  2  o 35.85865 0.2848761 308.5000   4.900000 0.000000       0.000000  
1 1 1 4  0  3  o 162.7963 1.169146  6358.700   91.30000 0.000000       0.000000  
1 1 1 4  0  4  o 43.66736 0.3771683 457.5000   7.900000 0.000000       0.000000  
1 1 1 4  0  5  o 224.7354 1.442418  12117.40   155.5000 -0.000000      0.000000  
1 1 1 4  0  6  o 202.3366 1.300222  9822.200   126.2000 0.000000       0.000000  
1 1 1 4  0  7  o 31.58728 0.3036184 239.4000   4.600000 -0.000000      0.000000  
1 1 1 4  0  8  o 16.47435 0.3673412 65.20000   2.900000 -0.000000      0.000000  
1 1 1 4  0  9  o 185.9657 1.120973  8300.300   100.0000 0.000000       0.000000  
1 1 1 4  0  10 o 81.51526 0.5396082 1594.400   21.10000 -0.000000      0.000000  
1 1 1 4  0  11 o 9.541096 0.5951799 22.10000   2.700000 0.000000       0.000000  
1 1 1 4  0  12 o 43.31770 0.4139182 450.4000   8.600000 0.000000       0.000000  
1 1 1 4  0  13 o 67.39564 0.5134820 1090.900   16.60000 0.000000       0.000000  
1 1 1 4  0  14 o 14.68764 0.5983156 52.10000   4.200000 0.000000       0.000000  
1 1 1 4  0  15 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 4  1  0  x ?        ?         ?          ?        ?              ?         
1 1 1 4  1  1  x ?        ?         ?          ?        ?              ?         
1 1 1 4  1  2  o 178.5720 0.9396685 7651.400   80.50000 -9.591904      1.769398  
1 1 1 4  1  3  o 177.3714 0.9425033 7547.200   80.20000 -11.65176      1.760803  
1 1 1 4  1  4  o 331.6761 5.107499  26427.40   812.7000 0.000000       4.844969  
1 1 1 4  1  5  o 108.6332 0.4950503 2830.800   25.80000 -1.653328      0.9881893 
1 1 1 4  1  6  x ?        ?         ?          ?        ?              ?         
1 1 1 4  1  7  o 237.6183 1.121097  13544.40   127.8000 -9.088608      2.125968  
1 1 1 4  1  8  o 165.5778 0.7616324 6576.700   60.50000 -3.919540      1.439665  
1 1 1 4  1  9  o 89.55247 0.4562162 1923.800   19.60000 -1.217796      0.8781527 
1 1 1 4  1  10 o 50.24887 0.3857881 605.7000   9.300000 6.979706       0.5527767 
1 1 1 4  1  11 o 33.01078 0.2399496 261.4000   3.800000 0.7108517      0.4800755 
1 1 1 4  1  12 o 80.97130 0.4067412 1572.900   15.80000 -2.020500      0.7299836 
1 1 1 4  1  13 o 45.37433 0.2894160 493.9000   6.300000 -0.4415817     0.4987649 
1 1 1 4  1  14 o 16.06229 0.4671833 61.90000   3.600000 0.1309996      0.7342209 
1 1 1 4  1  15 x ?        ?         ?          ?        -1.603489      1.221520  
1 1 1 4  2  0  o ?        ?         6125.900   79.30000 -0.000000      0.000000  
1 1 1 4  2  1  o ?        ?         9196.200   87.00000 10.43619       1.879037  
1 1 1 4  2  2  o 128.6206 0.5785617 3968.600   35.70000 -4.129662      1.104876  
1 1 1 4  2  3  x ?        ?         ?          ?        ?              ?         
1 1 1 4  2  4  o 137.7292 0.6417000 4550.300   42.40000 -2.658546      1.271739  
1 1 1 4  2  5  x ?        ?         ?          ?        ?              ?         
1 1 1 4  2  6  o 417.6209 6.433730  41919.60   1289.000 0.000000       5.996030  
1 1 1 4  2  7  f 200.2328 0.8744524 9617.500   84.00000 -0.2346039     1.656353  
1 1 1 4  2  8  o 169.0198 0.7461221 6853.000   60.50000 -3.938202      1.411004  
1 1 1 4  2  9  o 137.4915 0.6443256 4535.100   42.50000 6.315369       1.256455  
1 1 1 4  2  10 o 22.78195 0.2287396 124.5000   2.500000 1.035843       0.4532655 
1 1 1 4  2  11 o 23.11777 0.2524668 128.2000   2.800000 1.031387       0.4660918 
1 1 1 4  2  12 o 57.67208 0.3216744 797.9000   8.900000 -0.2966080     0.5965236 
1 1 1 4  2  13 o 51.20097 0.3094052 628.9000   7.600000 -1.508709      0.5395389 
1 1 1 4  2  14 o 5.291932 1.242336  7.000000   3.100000 -1.008753      1.563102  
1 1 1 4  2  15 x ?        ?         ?          ?        1.009206       1.078168  
1 1 1 4  3  0  o 127.1017 0.8463187 3876.900   51.60000 -0.000000      0.000000  
1 1 1 4  3  1  o 109.7688 0.6741271 2891.300   35.50000 13.05260       1.100378  
1 1 1 4  3  2  o 213.0478 1.191688  10890.50   121.8000 -1.634888      2.297324  
1 1 1 4  3  3  o 147.6737 0.8469158 5231.300   60.00000 20.71254       1.489138  
1 1 1 4  3  4  o 77.27238 0.5476006 1432.300   20.30000 10.74829       0.7428305 
1 1 1 4  3  5  o 282.3002 1.668743  19119.40   226.0000 -0.1857605     3.175561  
1 1 1 4  3  6  f 167.6131 0.8071031 6739.300   64.90000 0.2932892      1.482711  
1 1 1 4  3  7  o 324.4065 1.510620  25246.50   235.1000 3.929382       2.798522  
1 1 1 4  3  8  o 138.7813 0.5962819 4620.200   39.70000 5.569199       1.135784  
1 1 1 4  3  9  o 113.9111 0.5196900 3112.800   28.40000 -0.7177124     1.006461  
1 1 1 4  3  10 o 104.9453 0.4766946 2642.100   24.00000 -3.078766      0.9346078 
1 1 1 4  3  11 o 41.04366 0.2488526 404.1000   4.900000 -2.796169      0.4767308 
1 1 1 4  3  12 o 21.34550 0.2734286 109.3000   2.800000 0.1451263      0.4430183 
1 1 1 4  3  13 o 23.35901 0.3212478 130.9000   3.600000 -2.227804      0.5124395 
1 1 1 4  3  14 o 10.89970 0.6144725 28.60000   3.200000 -0.7853055     0.9213249 
1 1 1 4  3  15 x ?        ?         ?          ?        -0.7577419     0.6010180 
1 1 1 4  4  0  f 73.39300 0.7243909 1292.500   25.50000 0.000000       0.000000  
1 1 1 4  4  1  o 76.35833 0.5897226 1398.900   21.60000 0.000000       0.000000  
1 1 1 4  4  2  o 354.8851 5.503021  30284.00   936.4000 0.000000       0.000000  
1 1 1 4  4  3  o 244.8283 1.720859  14381.80   202.1000 0.000000       0.000000  
1 1 1 4  4  4  o 124.2845 0.8386671 3705.800   50.00000 0.000000       0.000000  
1 1 1 4  4  5  x ?        ?         ?          ?        ?              ?         
1 1 1 4  4  6  x ?        ?         ?          ?        ?              ?         
1 1 1 4  4  7  o 130.0142 0.9428229 4055.500   58.80000 -0.000000      0.000000  
1 1 1 4  4  8  o 160.1785 0.9617622 6156.000   73.90000 -0.000000      0.000000  
1 1 1 4  4  9  o 50.75937 0.4066060 618.2000   9.900000 -0.000000      0.000000  
1 1 1 4  4  10 o 24.93326 0.3094321 149.2000   3.700000 0.000000       0.000000  
1 1 1 4  4  11 o 17.32147 0.3975927 72.10000   3.300000 0.000000       0.000000  
1 1 1 4  4  12 o 88.62881 0.5950889 1886.200   25.30000 0.000000       0.000000  
1 1 1 4  4  13 o 75.64970 0.5235828 1374.600   19.00000 0.000000       0.000000  
1 1 1 4  4  14 o 31.62491 0.4880088 240.4000   7.400000 0.000000       0.000000  
1 1 1 4  4  15 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 5  0  1  o 21.25436 0.2256223 108.4000   2.300000 0.000000       0.000000  
1 1 1 5  0  2  o 53.05429 0.3929391 675.3000   10.00000 -0.000000      0.000000  
1 1 1 5  0  3  o 86.71531 0.5913941 1804.000   24.60000 0.000000       0.000000  
1 1 1 5  0  4  o 64.09319 0.5464628 985.6000   16.80000 -0.000000      0.000000  
1 1 1 5  0  5  o 228.3782 1.610218  12514.00   176.4000 -0.000000      0.000000  
1 1 1 5  0  6  o 74.01514 0.7464778 1314.500   26.50000 0.000000       0.000000  
1 1 1 5  0  7  o 28.05107 0.4609978 188.9000   6.200000 0.000000       0.000000  
1 1 1 5  0  8  o 122.7203 0.8952380 3613.500   52.70000 0.000000       0.000000  
1 1 1 5  0  9  o 223.4062 1.567669  11986.80   168.0000 0.000000       0.000000  
1 1 1 5  0  10 o 21.70037 0.4230095 113.1000   4.400000 0.000000       0.000000  
1 1 1 5  0  11 o 2.763654 1.653260  1.900000   3.900000 -0.000000      0.000000  
1 1 1 5  0  12 o 50.15430 0.5279540 604.0000   12.70000 0.000000       0.000000  
1 1 1 5  0  13 o 15.25123 0.7976949 56.40000   5.800000 -0.000000      0.000000  
1 1 1 5  0  14 o 40.13940 0.5402963 387.3000   10.40000 0.000000       0.000000  
1 1 1 5  0  15 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 5  1  0  x ?        ?         ?          ?        ?              ?         
1 1 1 5  1  1  o 90.33686 0.5791631 1957.800   25.10000 14.97740       0.8484455 
1 1 1 5  1  2  o 91.92150 0.5102201 2026.900   22.50000 7.813583       0.9449769 
1 1 1 5  1  3  o 241.0946 1.330587  13944.80   153.9000 5.278961       2.536303  
1 1 1 5  1  4  o 128.0109 0.5992291 3930.800   36.80000 -2.761307      1.176668  
1 1 1 5  1  5  o 258.8200 1.220132  16069.90   151.5000 -1.536270      2.330212  
1 1 1 5  1  6  o 320.2326 1.651380  24603.60   253.7000 -0.3121338     3.086597  
1 1 1 5  1  7  o 361.6861 1.858618  31384.10   322.5000 7.753876       3.432488  
1 1 1 5  1  8  o 20.87206 0.3595252 104.5000   3.600000 -3.842480      0.6533474 
1 1 1 5  1  9  o 63.78290 0.3496807 975.9000   10.70000 -3.637642      0.7205828 
1 1 1 5  1  10 o 12.56937 0.4145899 37.90000   2.500000 2.762946       0.7460796 
1 1 1 5  1  11 o 40.92110 0.3107240 401.7000   6.100000 2.615292       0.6003332 
1 1 1 5  1  12 f 32.83246 0.3301354 258.6000   5.200000 -1.993229      0.6016876 
1 1 1 5  1  13 o 43.49216 0.3546606 453.8000   7.400000 1.376068       0.6279187 
1 1 1 5  1  14 o 20.88968 0.4689842 104.7000   4.700000 -0.5614843     0.7270772 
1 1 1 5  1  15 x ?        ?         ?          ?        -0.3887663     1.015961  
1 1 1 5  2  0  x ?        ?         ?          ?        ?              ?         
1 1 1 5  2  1  x ?        ?         ?          ?        ?              ?         
1 1 1 5  2  2  o 59.20774 0.3978251 840.9000   11.30000 -21.91642      0.7206343 
1 1 1 5  2  3  o 78.04300 0.3872810 1461.000   14.50000 5.465729       0.7374997 
1 1 1 5  2  4  f 243.4202 1.209979  14214.40   141.3000 6.235336       2.307318  
1 1 1 5  2  5  o 260.6718 1.227458  16300.70   153.5000 2.072266       2.319453  
1 1 1 5  2  6  o 311.4394 1.454382  23270.00   217.3000 5.748840       2.717455  
1 1 1 5  2  7  o 312.5741 1.457771  23438.40   218.6000 -10.83051      2.708477  
1 1 1 5  2  8  o 162.2602 0.7168270 6315.900   55.80000 0.8703003      1.359640  
1 1 1 5  2  9  o 145.3621 0.6452879 5069.300   45.00000 1.301216       1.207544  
1 1 1 5  2  10 o 58.25590 0.3112945 814.1000   8.700000 -1.275093      0.6298892 
1 1 1 5  2  11 o 15.05890 0.3322082 54.40000   2.400000 -0.3480043     0.5578993 
1 1 1 5  2  12 o 80.20505 0.4080281 1543.300   15.70000 3.602909       0.7556736 
1 1 1 5  2  13 o 23.49165 0.3992925 132.4000   4.500000 0.5514736      0.6019863 
1 1 1 5  2  14 o 18.23676 0.5143478 79.80000   4.500000 -2.124542      0.7684442 
1 1 1 5  2  15 x ?        ?         ?          ?        -0.6902199     0.9266552 
1 1 1 5  3  0  o 144.0567 0.8783826 4978.900   60.70000 0.000000       0.000000  
1 1 1 5  3  1  o 16.52455 0.2018285 65.50000   1.600000 -3.424940      0.3526351 
1 1 1 5  3  2  o 257.1405 1.647196  15865.10   203.2000 -2.438675      3.138443  
1 1 1 5  3  3  o 130.5919 0.8076562 4091.000   50.60000 -15.08015      1.227574  
1 1 1 5  3  4  x ?        ?         ?          ?        ?              ?         
1 1 1 5  3  5  x ?        ?         ?          ?        ?              ?         
1 1 1 5  3  6  o 202.7820 0.8521525 9864.000   82.90000 -0.1360321     1.616889  
1 1 1 5  3  7  o 71.43608 0.4114278 1224.100   14.10000 -4.601517      0.7173145 
1 1 1 5  3  8  o 142.4779 0.6334795 4869.700   43.30000 6.227661       1.199349  
1 1 1 5  3  9  o 99.02153 0.4610061 2352.200   21.90000 -2.824387      0.8896612 
1 1 1 5  3  10 o 78.02959 0.3980330 1460.600   14.90000 -1.108299      0.7971129 
1 1 1 5  3  11 o 53.31196 0.3010636 681.8000   7.700000 -2.356010      0.5768904 
1 1 1 5  3  12 o 14.90038 0.3916992 53.30000   2.800000 -0.2728720     0.6310898 
1 1 1 5  3  13 o 58.51736 0.3348384 821.5000   9.400000 0.8842392      0.6427696 
1 1 1 5  3  14 o 38.59199 0.3456805 357.3000   6.400000 -0.7658882     0.5888340 
1 1 1 5  3  15 x ?        ?         ?          ?        -1.995317      1.793385  
1 1 1 5  4  0  x ?        ?         ?          ?        ?              ?         
1 1 1 5  4  1  f 65.86379 0.4778838 1040.600   15.10000 -15.98468      0.7819096 
1 1 1 5  4  2  o 210.7894 0.9641578 10658.90   97.50000 -16.37666      1.759676  
1 1 1 5  4  3  o 136.2056 0.6473475 4450.200   42.30000 9.259155       1.230764  
1 1 1 5  4  4  x ?        ?         ?          ?        ?              ?         
1 1 1 5  4  5  x ?        ?         ?          ?        ?              ?         
1 1 1 5  4  6  o 320.3184 1.496711  24614.40   230.0000 -18.34912      2.917001  
1 1 1 5  4  7  o 293.5926 1.216908  20678.00   171.4000 -1.469818      2.229443  
1 1 1 5  4  8  o 129.5701 0.5405384 4027.300   33.60000 0.3415070      1.021610  
1 1 1 5  4  9  o 110.3311 0.5308849 2920.300   28.10000 5.276321       1.018176  
1 1 1 5  4  10 o 43.36014 0.2692090 451.0000   5.600000 1.599827       0.5344762 
1 1 1 5  4  11 o 72.51266 0.3679496 1261.400   12.80000 1.989372       0.6828242 
1 1 1 5  4  12 o 106.5872 0.5123754 2729.200   26.20000 -2.074669      0.8958397 
1 1 1 5  4  13 o 50.37938 0.3351386 608.9000   8.100000 2.210964       0.6042769 
1 1 1 5  4  14 o 7.066098 0.9376353 12.20000   3.100000 -1.583839      1.233234  
1 1 1 5  4  15 x ?        ?         ?          ?        1.097105       1.083995  
1 1 1 5  5  0  x ?        ?         ?          ?        ?              ?         
1 1 1 5  5  1  o 11.74327 0.4093825 33.20000   2.300000 -0.000000      0.000000  
1 1 1 5  5  2  o 18.14151 0.2759030 79.00000   2.400000 -0.000000      0.000000  
1 1 1 5  5  3  x ?        ?         ?          ?        ?              ?         
1 1 1 5  5  4  o 171.7154 1.232251  7074.400   101.5000 -0.000000      0.000000  
1 1 1 5  5  5  o 282.5906 1.970407  19161.20   267.1000 0.000000       0.000000  
1 1 1 5  5  6  o 436.0963 3.846500  45652.30   804.6000 0.000000       0.000000  
1 1 1 5  5  7  o 255.6921 1.502567  15686.40   184.3000 -0.000000      0.000000  
1 1 1 5  5  8  o 54.67844 0.5261937 717.4000   13.80000 0.000000       0.000000  
1 1 1 5  5  9  o 31.26829 0.3000479 234.6000   4.500000 0.000000       0.000000  
1 1 1 5  5  10 o 99.22230 0.6534098 2362.800   31.10000 -0.000000      0.000000  
1 1 1 5  5  11 o 92.45695 0.6200536 2052.100   27.50000 -0.000000      0.000000  
1 1 1 5  5  12 o 32.42035 0.4309453 252.4000   6.700000 -0.000000      0.000000  
1 1 1 5  5  13 o 7.508529 1.576148  15.30000   5.000000 0.000000       0.000000  
1 1 1 5  5  14 o 7.816299 1.526844  16.40000   5.100000 -0.000000      0.000000  
1 1 1 5  5  15 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 6  0  0  o 16.42684 0.3175003 64.80000   2.500000 -0.000000      0.000000  
1 1 1 6  0  1  o 255.0768 3.986796  15640.30   487.6000 -0.000000      0.000000  
1 1 1 6  0  2  o 175.6830 1.256632  7405.200   105.9000 0.000000       0.000000  
1 1 1 6  0  3  o 216.1966 1.695206  11215.00   175.8000 0.000000       0.000000  
1 1 1 6  0  4  o 185.2509 1.306510  8233.600   116.1000 -0.000000      0.000000  
1 1 1 6  0  5  o 109.1697 1.050372  2859.700   55.00000 0.000000       0.000000  
1 1 1 6  0  6  o 118.5377 0.8617543 3371.100   49.00000 -0.000000      0.000000  
1 1 1 6  0  7  o 195.0359 1.372432  9126.600   128.4000 -0.000000      0.000000  
1 1 1 6  0  8  o 90.21551 0.7625964 1952.900   33.00000 -0.000000      0.000000  
1 1 1 6  0  9  o 21.58445 0.4349726 111.9000   4.500000 0.000000       0.000000  
1 1 1 6  0  10 o 61.46735 0.5325013 906.7000   15.70000 -0.000000      0.000000  
1 1 1 6  0  11 o 5.919522 1.667555  10.20000   4.100000 -0.000000      0.000000  
1 1 1 6  0  12 o 16.59011 0.7319798 66.50000   5.800000 -0.000000      0.000000  
1 1 1 6  0  13 o 6.890234 2.169443  14.50000   6.300000 0.000000       0.000000  
1 1 1 6  0  14 o 14.00643 0.9782990 48.00000   6.500000 0.000000       0.000000  
1 1 1 6  0  15 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 6  1  0  o 52.80326 0.4935451 669.0000   12.50000 0.000000       0.000000  
1 1 1 6  1  1  o 225.4717 1.341429  12197.90   145.1000 -17.28532      2.584054  
1 1 1 6  1  2  x ?        ?         ?          ?        ?              ?         
1 1 1 6  1  3  o 13.90813 0.2997460 46.40000   2.000000 -10.58497      0.4110382 
1 1 1 6  1  4  o 375.2023 4.077770  33804.10   734.0000 0.000000       3.788663  
1 1 1 6  1  5  o 198.7351 0.9890749 9474.400   94.30000 8.474915       1.834332  
1 1 1 6  1  6  o 149.8794 0.7941203 5388.600   57.10000 -6.310898      1.444339  
1 1 1 6  1  7  o 367.7017 1.787395  32437.50   315.3000 1.960907       3.249557  
1 1 1 6  1  8  o 141.0496 0.7226520 4772.700   48.90000 2.786873       1.372874  
1 1 1 6  1  9  f 28.64272 0.3202068 196.8000   4.400000 4.836384       0.5807447 
1 1 1 6  1  10 o 142.4005 0.7450722 4865.500   50.90000 4.860497       1.401978  
1 1 1 6  1  11 o 45.83605 0.3365245 504.0000   7.400000 -3.398190      0.6608036 
1 1 1 6  1  12 o 5.422819 1.380273  7.400000   3.600000 0.9728909E-02  1.845483  
1 1 1 6  1  13 o 29.65602 0.3795536 211.0000   5.400000 -1.827822      0.6284276 
1 1 1 6  1  14 o 40.01760 0.3854543 384.2000   7.400000 0.2530365      0.6512446 
1 1 1 6  1  15 x ?        ?         ?          ?        -1.568930      1.940211  
1 1 1 6  2  0  o 203.8681 1.848935  9974.700   180.8000 0.000000       0.000000  
1 1 1 6  2  1  o 132.9312 0.7181757 4239.000   45.80000 -7.994110      1.379969  
1 1 1 6  2  2  o 53.65633 0.3962519 690.6000   10.20000 4.326073       0.7740679 
1 1 1 6  2  3  o 345.6751 5.335426  28715.70   884.8000 0.000000       4.981891  
1 1 1 6  2  4  o 296.1380 1.533752  21039.40   217.9000 12.48730       2.906432  
1 1 1 6  2  5  o 316.8096 1.629745  24079.10   247.7000 -5.772064      3.046002  
1 1 1 6  2  6  o 321.4159 1.494843  24783.40   230.5000 -4.988190      2.770918  
1 1 1 6  2  7  o 54.11305 0.3158668 702.4000   8.200000 2.450714       0.6670787 
1 1 1 6  2  8  o 11.29440 0.4429353 30.60000   2.400000 -3.172363      0.6712065 
1 1 1 6  2  9  o 112.8717 0.5761847 3056.400   31.20000 -1.334435      1.145458  
1 1 1 6  2  10 o 79.05307 0.4324314 1499.200   16.40000 1.941582       0.8721949 
1 1 1 6  2  11 o 57.96365 0.3632100 806.0000   10.10000 2.685677       0.7038112 
1 1 1 6  2  12 o 32.17505 0.3563162 248.5000   5.500000 -5.485092      0.5923967 
1 1 1 6  2  13 o 26.43058 0.3864396 167.6000   4.900000 -0.8551121     0.6117294 
1 1 1 6  2  14 o 8.314697 1.105383  16.90000   4.300000 -3.318401      1.673834  
1 1 1 6  2  15 x ?        ?         ?          ?        -1.957225      1.666778  
1 1 1 6  3  0  o 203.4425 1.312624  9930.200   128.1000 0.000000       0.000000  
1 1 1 6  3  1  o 319.2174 4.900679  24505.00   750.5000 0.000000       4.590017  
1 1 1 6  3  2  o 301.1318 1.908412  21757.80   275.7000 9.292175       3.574950  
1 1 1 6  3  3  x ?        ?         ?          ?        ?              ?         
1 1 1 6  3  4  o 114.9840 0.6254228 3171.500   34.50000 11.38068       0.9747836 
1 1 1 6  3  5  o 338.6541 1.984407  27518.10   322.4000 0.5323792      4.054766  
1 1 1 6  3  6  o 427.5388 2.919920  43863.90   598.9000 -1.422699      5.394994  
1 1 1 6  3  7  o 153.2570 0.6773314 5634.200   49.80000 5.146439       1.283531  
1 1 1 6  3  8  o 107.5976 0.4862540 2777.200   25.10000 0.4041977      0.9206054 
1 1 1 6  3  9  o 36.50130 0.2512676 319.6000   4.400000 3.832350       0.5222112 
1 1 1 6  3  10 o 116.3810 0.5426910 3249.500   30.30000 -1.414429      1.019252  
1 1 1 6  3  11 o 72.72474 0.3754752 1268.800   13.10000 -2.102200      0.7068774 
1 1 1 6  3  12 o 52.14407 0.3477815 652.3000   8.700000 -0.8334579     0.6206800 
1 1 1 6  3  13 o 34.51505 0.3442378 285.8000   5.700000 -2.863201      0.6308285 
1 1 1 6  3  14 o 6.064543 1.488919  9.200000   4.300000 -1.530385      1.863604  
1 1 1 6  3  15 x ?        ?         ?          ?        -0.2907972     1.040153  
1 1 1 6  4  0  o 14.36705 0.3486696 49.60000   2.400000 0.000000       0.000000  
1 1 1 6  4  1  o 204.8471 0.9025806 10066.30   88.70000 7.474838       1.870362  
1 1 1 6  4  2  o 212.4285 1.061712  10825.30   108.2000 10.20631       1.896606  
1 1 1 6  4  3  o 205.0779 0.9046139 10088.80   89.00000 6.920959       1.666236  
1 1 1 6  4  4  o 357.2757 5.547834  30685.60   950.9000 0.000000       5.215287  
1 1 1 6  4  5  x ?        ?         ?          ?        ?              ?         
1 1 1 6  4  6  o 330.5081 1.539493  26205.50   244.1000 -0.1419067     2.810173  
1 1 1 6  4  7  o 315.0088 1.351217  23806.30   204.2000 3.650635       2.450891  
1 1 1 6  4  8  o 68.40348 0.3321548 1122.400   10.90000 -0.1346703     0.6518841 
1 1 1 6  4  9  o 88.03224 0.4498876 1859.100   19.00000 -6.996582      1.009844  
1 1 1 6  4  10 o 55.40238 0.3085159 736.4000   8.200000 0.6366119      0.6524651 
1 1 1 6  4  11 o 121.2358 0.5501880 3526.600   32.00000 3.734451       1.077957  
1 1 1 6  4  12 o 50.08053 0.3496250 601.7000   8.400000 -2.223560      0.5218932 
1 1 1 6  4  13 o 33.47362 0.2802218 268.8000   4.500000 -0.4708481E-01 0.4518826 
1 1 1 6  4  14 o 14.30393 0.5683312 49.10000   3.900000 -1.931831      0.9331174 
1 1 1 6  4  15 x ?        ?         ?          ?        0.5369825      1.267997  
1 1 1 6  5  0  x ?        ?         ?          ?        ?              ?         
1 1 1 6  5  1  x ?        ?         ?          ?        ?              ?         
1 1 1 6  5  2  o 142.0060 0.6150345 4837.300   41.90000 -1.308388      1.186616  
1 1 1 6  5  3  f 136.8649 0.6442293 4493.400   42.30000 -4.861977      1.211068  
1 1 1 6  5  4  o 325.8851 1.789040  25480.40   279.7000 8.225739       3.116572  
1 1 1 6  5  5  o 492.3112 7.541628  58384.70   1781.200 0.000000       6.819011  
1 1 1 6  5  6  o 367.6494 1.708274  32427.30   301.3000 -0.9056702     3.098903  
1 1 1 6  5  7  o 289.0412 1.152416  20043.00   159.8000 9.322800       2.081266  
1 1 1 6  5  8  o 96.23602 0.4331961 2221.800   20.00000 3.749573       0.8484499 
1 1 1 6  5  9  o 65.16294 0.3358774 1018.600   10.50000 -0.2715454     0.7055845 
1 1 1 6  5  10 o 67.18404 0.3536966 1082.800   11.40000 3.073971       0.6926126 
1 1 1 6  5  11 o 100.1297 0.4954571 2405.500   23.80000 1.739708       0.9906207 
1 1 1 6  5  12 o 54.10887 0.3505622 702.4000   9.100000 -0.2381096     0.5650679 
1 1 1 6  5  13 o 29.52259 0.3318452 209.1000   4.700000 -1.184246      0.5391049 
1 1 1 6  5  14 o 7.046264 1.068936  12.20000   3.500000 -1.392608      1.435264  
1 1 1 6  5  15 x ?        ?         ?          ?        -0.7081590     1.839032  
1 1 1 6  6  0  x ?        ?         ?          ?        ?              ?         
1 1 1 6  6  1  f 281.0952 1.957898  18958.50   264.0000 0.000000       0.000000  
1 1 1 6  6  2  x ?        ?         ?          ?        ?              ?         
1 1 1 6  6  3  o 36.15877 0.3286504 313.7000   5.700000 0.000000       0.000000  
1 1 1 6  6  4  o 298.4374 1.753260  21368.70   251.0000 0.000000       0.000000  
1 1 1 6  6  5  o 356.9207 2.460698  30569.10   421.3000 -0.000000      0.000000  
1 1 1 6  6  6  o 216.9814 1.380594  11295.60   143.7000 -0.000000      0.000000  
1 1 1 6  6  7  o 194.3555 1.374021  9064.400   128.1000 0.000000       0.000000  
1 1 1 6  6  8  o 56.39960 0.4361708 763.2000   11.80000 0.000000       0.000000  
1 1 1 6  6  9  o 89.63885 0.6023374 1928.100   25.90000 0.000000       0.000000  
1 1 1 6  6  10 o 74.99738 0.5197981 1349.800   18.70000 -0.000000      0.000000  
1 1 1 6  6  11 o 41.27845 0.4293322 409.0000   8.500000 -0.000000      0.000000  
1 1 1 6  6  12 o 8.242110 1.215691  17.40000   4.500000 0.000000       0.000000  
1 1 1 6  6  13 o 6.920636 1.704547  13.50000   4.900000 0.000000       0.000000  
1 1 1 6  6  14 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 7  0  1  o 137.8236 1.113295  4557.600   73.60000 0.000000       0.000000  
1 1 1 7  0  2  o 303.5501 3.328609  22119.50   484.6000 -0.000000      0.000000  
1 1 1 7  0  3  o 256.6140 2.002573  15800.70   246.5000 -0.000000      0.000000  
1 1 1 7  0  4  x ?        ?         ?          ?        ?              ?         
1 1 1 7  0  5  o 75.92862 0.5161663 1383.100   18.80000 -0.000000      0.000000  
1 1 1 7  0  6  o 168.4254 1.190717  6805.800   96.20000 -0.000000      0.000000  
1 1 1 7  0  7  o 264.6234 1.826885  16803.20   231.9000 0.000000       0.000000  
1 1 1 7  0  8  o 53.34572 0.4533370 682.8000   11.60000 -0.000000      0.000000  
1 1 1 7  0  9  o 82.49675 0.6570383 1633.200   26.00000 0.000000       0.000000  
1 1 1 7  0  10 o 36.80297 0.4475907 325.1000   7.900000 -0.000000      0.000000  
1 1 1 7  0  11 o 78.41105 0.6381032 1476.100   24.00000 0.000000       0.000000  
1 1 1 7  0  12 o 19.17315 0.6540290 88.60000   6.000000 -0.000000      0.000000  
1 1 1 7  0  13 o 18.56513 0.7551005 83.30000   6.700000 -0.000000      0.000000  
1 1 1 7  0  14 o 23.79152 0.6758559 136.5000   7.700000 0.000000       0.000000  
1 1 1 7  0  15 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 7  1  0  o 118.8162 0.8035753 3386.900   45.80000 0.000000       0.000000  
1 1 1 7  1  1  x ?        ?         ?          ?        ?              ?         
1 1 1 7  1  2  o 57.86209 0.3314255 803.1000   9.200000 -2.217720      0.6893759 
1 1 1 7  1  3  o 309.2343 1.958845  22943.70   290.6000 7.678436       3.655251  
1 1 1 7  1  4  o 220.4383 1.220763  11657.30   129.1000 -9.656235      2.103143  
1 1 1 7  1  5  o 128.9764 0.7288840 3990.400   45.10000 8.557281       1.182542  
1 1 1 7  1  6  o 250.5635 1.229558  15060.70   147.8000 -6.284393      2.282872  
1 1 1 7  1  7  o 195.8095 0.9751104 9197.700   91.60000 6.965927       1.820079  
1 1 1 7  1  8  o 115.1504 0.6046069 3180.900   33.40000 -2.701385      1.168930  
1 1 1 7  1  9  f 16.43561 0.3551112 64.80000   2.800000 4.112910       0.6911795 
1 1 1 7  1  10 o 19.74078 0.3590101 93.50000   3.400000 1.063438       0.6137706 
1 1 1 7  1  11 o 21.86580 0.3813176 114.7000   4.000000 1.160969       0.6284760 
1 1 1 7  1  12 o 28.53882 0.3798039 195.4000   5.200000 -1.011078      0.6304737 
1 1 1 7  1  13 o 30.47377 0.3830487 222.8000   5.600000 -0.3498192     0.6471769 
1 1 1 7  1  14 o 16.16286 0.6577248 62.70000   5.100000 0.5924997      0.9592190 
1 1 1 7  1  15 x ?        ?         ?          ?        -0.5175991     1.221638  
1 1 1 7  2  0  x ?        ?         ?          ?        ?              ?         
1 1 1 7  2  1  o 234.7870 1.166577  13224.40   131.4000 11.62468       2.135311  
1 1 1 7  2  2  o 263.8920 1.376776  16706.70   174.3000 1.961746       2.629073  
1 1 1 7  2  3  o 295.4202 1.726577  20938.50   244.7000 18.91443       3.235736  
1 1 1 7  2  4  o 274.9835 1.427368  18140.70   188.3000 -3.985825      2.698980  
1 1 1 7  2  5  o 277.9742 1.521492  18537.40   202.9000 15.75127       2.672926  
1 1 1 7  2  6  o 103.9700 0.6435603 2593.000   32.10000 10.39289       0.9779027 
1 1 1 7  2  7  o 146.7615 0.7030482 5166.800   49.50000 0.9453125      1.266360  
1 1 1 7  2  8  o 18.42118 0.3055192 81.40000   2.700000 -0.5683393     0.5465174 
1 1 1 7  2  9  o 37.09024 0.2866175 330.0000   5.100000 -1.476955      0.5833166 
1 1 1 7  2  10 o 88.24917 0.5007460 1869.000   21.20000 -3.085052      0.9941827 
1 1 1 7  2  11 o 24.83801 0.3608643 148.0000   4.300000 -1.771059      0.6359369 
1 1 1 7  2  12 o 16.92043 0.5420426 68.70000   4.400000 -0.8693275     0.8420887 
1 1 1 7  2  13 o 12.23864 0.7703593 36.10000   4.500000 0.5457115E-01  1.150893  
1 1 1 7  2  14 f 16.50762 0.6187338 65.40000   4.900000 -1.676373      0.9324868 
1 1 1 7  2  15 x ?        ?         ?          ?        -0.1970472     0.8461481 
1 1 1 7  3  0  o 75.23052 0.5320448 1357.800   19.20000 0.000000       0.000000  
1 1 1 7  3  1  x ?        ?         ?          ?        ?              ?         
1 1 1 7  3  2  o 310.6898 2.144904  23161.80   319.7000 18.10941       3.608265  
1 1 1 7  3  3  x ?        ?         ?          ?        ?              ?         
1 1 1 7  3  4  x ?        ?         ?          ?        ?              ?         
1 1 1 7  3  5  o 285.1890 1.333166  19511.90   182.4000 7.385162       2.599358  
1 1 1 7  3  6  o 225.8234 0.9784286 12233.10   106.0000 -7.261459      1.808374  
1 1 1 7  3  7  o 172.8305 0.7899746 7165.500   65.50000 10.06073       1.403644  
1 1 1 7  3  8  o 193.0989 0.8484669 8948.100   78.60000 1.139069       1.576260  
1 1 1 7  3  9  o 45.12698 0.2586688 488.5000   5.600000 -2.790291      0.6169766 
1 1 1 7  3  10 o 6.748493 0.8199229 11.10000   2.600000 -3.357533      1.369784  
1 1 1 7  3  11 o 39.83140 0.3139915 380.6000   6.000000 0.6847591      0.5932780 
1 1 1 7  3  12 o 33.24120 0.3762415 265.1000   6.000000 -3.337961      0.5819960 
1 1 1 7  3  13 o 44.86369 0.3856340 482.9000   8.300000 -3.974310      0.6503460 
1 1 1 7  3  14 o 13.33208 0.7377079 42.80000   4.700000 -1.516402      1.140793  
1 1 1 7  3  15 x ?        ?         ?          ?        -1.334835      1.031571  
1 1 1 7  4  0  x ?        ?         ?          ?        ?              ?         
1 1 1 7  4  1  f 209.0570 0.9173081 10484.20   92.00000 -10.97269      1.768179  
1 1 1 7  4  2  o 191.8848 0.8820790 8832.500   81.20000 7.909927       1.645973  
1 1 1 7  4  3  o 133.6987 0.6049180 4287.900   38.80000 6.563515       1.084867  
1 1 1 7  4  4  o 273.6631 1.286488  17966.40   168.9000 2.892471       2.272695  
1 1 1 7  4  5  o 500.1767 7.698501  60286.00   1847.300 0.000000       6.941026  
1 1 1 7  4  6  f 268.3284 1.203308  17272.10   154.9000 -2.917801      2.188850  
1 1 1 7  4  7  o 191.9241 0.8351970 8836.400   76.90000 -2.651718      1.528682  
1 1 1 7  4  8  o 79.25079 0.3813788 1506.700   14.50000 -1.583130      0.7477784 
1 1 1 7  4  9  o 45.46191 0.3851446 495.8000   8.400000 6.856747       0.5697647 
1 1 1 7  4  10 o 19.39107 0.2794883 90.20000   2.600000 -1.501390      0.5005266 
1 1 1 7  4  11 o 75.15343 0.3855299 1355.000   13.90000 0.8994637      0.7068496 
1 1 1 7  4  12 o 56.40850 0.3806141 763.4000   10.30000 -1.639698      0.7558122 
1 1 1 7  4  13 o 34.22949 0.3653785 281.1000   6.000000 -1.497471      0.6587481 
1 1 1 7  4  14 o 15.09575 0.6627944 54.70000   4.800000 -1.027485      1.039984  
1 1 1 7  4  15 x ?        ?         ?          ?        -0.6754956     1.514900  
1 1 1 7  5  0  o 57.85118 0.5297602 803.0000   14.70000 -0.000000      0.000000  
1 1 1 7  5  1  o 200.8769 0.8529705 9679.700   82.20000 8.808365       1.636998  
1 1 1 7  5  2  o 181.5044 0.8349094 7902.700   72.70000 -7.518951      1.537879  
1 1 1 7  5  3  o 82.66508 0.5295285 1639.200   21.00000 -10.68999      0.7978204 
1 1 1 7  5  4  x ?        ?         ?          ?        ?              ?         
1 1 1 7  5  5  x ?        ?         ?          ?        ?              ?         
1 1 1 7  5  6  o 161.7879 0.7150546 6278.900   55.50000 -0.2606964     1.329471  
1 1 1 7  5  7  o 47.70936 0.3189418 546.0000   7.300000 -4.695168      0.5076477 
1 1 1 7  5  8  o 83.33898 0.3876820 1666.100   15.50000 -1.243179      0.7374966 
1 1 1 7  5  9  o 141.1875 0.6510802 4782.700   44.10000 1.370445       1.271334  
1 1 1 7  5  10 o 63.40761 0.3418882 964.5000   10.40000 1.950493       0.7123617 
1 1 1 7  5  11 o 43.77498 0.3095135 459.7000   6.500000 -1.530018      0.5525864 
1 1 1 7  5  12 o 39.24554 0.2974335 369.5000   5.600000 -1.502871      0.5108634 
1 1 1 7  5  13 o 23.52650 0.4075611 132.8000   4.600000 -1.574457      0.7293391 
1 1 1 7  5  14 x ?        ?         ?          ?        -1.884507      0.8444388 
1 1 1 7  6  0  o 84.28741 0.5861720 1704.400   23.70000 0.000000       0.000000  
1 1 1 7  6  1  x ?        ?         ?          ?        ?              ?         
1 1 1 7  6  2  o 245.9976 1.218485  14517.60   143.8000 21.90271       1.861550  
1 1 1 7  6  3  o 355.9190 2.081414  30397.00   355.4000 8.490692       3.873821  
1 1 1 7  6  4  o 301.9579 1.355774  21874.00   196.4000 -9.338623      2.496156  
1 1 1 7  6  5  o 370.1855 1.717404  32877.00   305.0000 -14.22192      3.634240  
1 1 1 7  6  6  o 426.1039 2.173466  43569.00   444.3000 -13.98413      4.744133  
1 1 1 7  6  7  o 258.9036 1.115880  16083.50   138.6000 -3.576065      1.996329  
1 1 1 7  6  8  o 144.3947 0.6048599 5002.200   41.90000 1.727776       1.119544  
1 1 1 7  6  9  o 61.28883 0.3469054 901.1000   10.20000 4.694485       0.6524614 
1 1 1 7  6  10 o 37.11213 0.2752152 330.4000   4.900000 4.291384       0.4957703 
1 1 1 7  6  11 o 33.73421 0.2904152 273.0000   4.700000 -0.4624424     0.5288810 
1 1 1 7  6  12 o 56.10143 0.3381113 755.1000   9.100000 0.1303558      0.6184421 
1 1 1 7  6  13 o 41.28904 0.3382456 409.0000   6.700000 -0.3964958     0.5726622 
1 1 1 7  6  14 x ?        ?         ?          ?        0.5962868      0.6734904 
1 1 1 7  7  0  o 252.5537 1.988546  15303.80   240.9000 -0.000000      0.000000  
1 1 1 7  7  1  o 123.8758 0.7808408 3681.400   46.40000 0.000000       0.000000  
1 1 1 7  7  2  o 80.32795 0.6332512 1548.100   24.40000 0.000000       0.000000  
1 1 1 7  7  3  x ?        ?         ?          ?        ?              ?         
1 1 1 7  7  4  o 449.0637 4.870049  48433.50   1048.900 -0.000000      0.000000  
1 1 1 7  7  5  x ?        ?         ?          ?        ?              ?         
1 1 1 7  7  6  o 319.9409 1.864770  24562.80   286.2000 -0.000000      0.000000  
1 1 1 7  7  7  o 246.2988 1.449843  14560.40   171.3000 -0.000000      0.000000  
1 1 1 7  7  8  f 90.46320 0.5784075 1963.600   25.10000 -0.000000      0.000000  
1 1 1 7  7  9  o 27.87012 0.3067296 186.4000   4.100000 -0.000000      0.000000  
1 1 1 7  7  10 o 67.23108 0.4558105 1084.700   14.70000 0.000000       0.000000  
1 1 1 7  7  11 o 40.44608 0.3453518 392.6000   6.700000 -0.000000      0.000000  
1 1 1 7  7  12 o 20.21113 0.6097463 98.40000   5.900000 -0.000000      0.000000  
1 1 1 7  7  13 o 4.244336 2.126326  6.500000   5.300000 0.000000       0.000000  
1 1 1 7  7  14 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 8  0  0  o 130.3337 1.250928  4075.900   78.20000 0.000000       0.000000  
1 1 1 8  0  1  o 222.3001 1.432902  11856.10   152.8000 0.000000       0.000000  
1 1 1 8  0  2  o 171.7571 1.363072  7078.100   112.3000 -0.000000      0.000000  
1 1 1 8  0  3  o 226.2023 1.594372  12276.60   173.0000 -0.000000      0.000000  
1 1 1 8  0  4  o 191.3954 1.741767  8790.200   159.9000 0.000000       0.000000  
1 1 1 8  0  5  o 75.09617 0.7746091 1353.200   27.90000 0.000000       0.000000  
1 1 1 8  0  6  o 131.0191 0.9419541 4118.400   59.20000 -0.000000      0.000000  
1 1 1 8  0  7  o 140.9082 1.016397  4763.900   68.70000 -0.000000      0.000000  
1 1 1 8  0  8  o 163.0028 1.171502  6377.200   91.60000 0.000000       0.000000  
1 1 1 8  0  9  o 67.37765 0.5693298 1089.400   18.40000 -0.000000      0.000000  
1 1 1 8  0  10 o 80.94443 0.6644935 1572.700   25.80000 0.000000       0.000000  
1 1 1 8  0  11 o 101.9751 0.8197957 2498.000   40.10000 0.000000       0.000000  
1 1 1 8  0  12 o 11.86754 1.055499  34.70000   5.900000 0.000000       0.000000  
1 1 1 8  0  13 o 91.80743 0.7561795 2027.700   33.30000 0.000000       0.000000  
1 1 1 8  0  14 o 2.905599 1.922456  -1.400000  7.000000 -0.000000      0.000000  
1 1 1 8  0  15 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 8  1  0  o 58.20604 0.5551940 812.9000   15.50000 -0.000000      0.000000  
1 1 1 8  1  1  o 130.9342 0.8103205 4112.500   50.90000 -8.365479      1.299345  
1 1 1 8  1  2  o 204.8609 0.9778146 10067.60   96.10000 -8.188629      1.849120  
1 1 1 8  1  3  o 258.3791 1.423093  16016.20   176.4000 -10.50470      2.396294  
1 1 1 8  1  4  o 176.9442 0.7751430 7510.500   65.80000 4.596313       1.488541  
1 1 1 8  1  5  o 212.6319 0.9587439 10845.90   97.80000 -3.121872      1.735653  
1 1 1 8  1  6  o 206.7956 1.081560  10258.60   107.3000 10.46024       1.926394  
1 1 1 8  1  7  o 125.5544 0.6408370 3781.500   38.60000 1.969864       1.196893  
1 1 1 8  1  8  o 214.3202 1.065957  11026.30   109.6000 0.8526917      1.955323  
1 1 1 8  1  9  o 46.22623 0.3246655 512.6000   7.200000 1.263882       0.6688257 
1 1 1 8  1  10 o 92.49741 0.5250716 2052.700   23.30000 -3.703186      1.036275  
1 1 1 8  1  11 o 6.270365 1.305660  9.800000   3.800000 1.659836       1.910355  
1 1 1 8  1  12 f 15.71932 0.5967205 59.30000   4.500000 -1.678369      0.8590161 
1 1 1 8  1  13 o 26.97600 0.4249886 174.6000   5.500000 1.185059       0.6561798 
1 1 1 8  1  14 o 13.23365 0.7911831 42.20000   5.000000 -0.7664623     1.222266  
1 1 1 8  1  15 x ?        ?         ?          ?        -1.311548      0.8181897 
1 1 1 8  2  0  o 121.4484 0.8222058 3538.600   47.90000 0.000000       0.000000  
1 1 1 8  2  1  x ?        ?         ?          ?        ?              ?         
1 1 1 8  2  2  o 318.5278 2.207299  24346.00   337.3000 4.327972       4.204463  
1 1 1 8  2  3  o 113.8238 0.5145948 3107.800   28.10000 4.169281       1.010579  
1 1 1 8  2  4  o 122.4446 0.6009344 3596.400   35.30000 6.039032       1.072001  
1 1 1 8  2  5  o 113.2437 0.5522037 3076.200   30.00000 3.437439       1.033360  
1 1 1 8  2  6  o 200.1644 0.9403579 9611.100   90.30000 -4.518341      1.739504  
1 1 1 8  2  7  o 126.6850 0.5874016 3849.900   35.70000 -0.6372604     1.113057  
1 1 1 8  2  8  o 96.78126 0.5212142 2247.000   24.20000 -0.8545990     1.022608  
1 1 1 8  2  9  o 56.94172 0.3550858 777.8000   9.700000 -1.393932      0.7214453 
1 1 1 8  2  10 o 62.37938 0.4043305 933.5000   12.10000 -2.740963      0.8140681 
1 1 1 8  2  11 o 19.21685 0.4555744 88.60000   4.200000 0.1471329E-01  0.7089703 
1 1 1 8  2  12 o 29.78877 0.3918570 212.9000   5.600000 1.237078       0.6202368 
1 1 1 8  2  13 o 22.96065 0.4811538 126.5000   5.300000 -0.2124920     0.7078141 
1 1 1 8  2  14 x ?        ?         ?          ?        -0.9461079     0.8157818 
1 1 1 8  3  0  o 22.63876 0.2947510 123.0000   3.200000 0.000000       0.000000  
1 1 1 8  3  1  o 127.1977 0.7538256 3881.100   46.00000 10.70478       1.234198  
1 1 1 8  3  2  o 346.1073 2.672814  28749.90   443.8000 6.904999       4.955987  
1 1 1 8  3  3  x ?        ?         ?          ?        ?              ?         
1 1 1 8  3  4  o 243.7013 1.148710  14247.40   134.3000 3.536362       2.093385  
1 1 1 8  3  5  o 208.3663 0.9843733 10415.00   98.40000 -3.937210      1.765358  
1 1 1 8  3  6  o 221.9105 0.9984988 11813.00   106.3000 5.850983       1.875684  
1 1 1 8  3  7  o 164.9627 0.7834263 6528.200   62.00000 3.743820       1.445783  
1 1 1 8  3  8  o 126.0293 0.5921117 3810.500   35.80000 -1.559540      1.167218  
1 1 1 8  3  9  o 38.55550 0.3568204 356.6000   6.600000 -5.494549      0.6557839 
1 1 1 8  3  10 o 42.84170 0.3259870 440.3000   6.700000 -0.4323502     0.6697074 
1 1 1 8  3  11 o 35.12600 0.3501189 296.0000   5.900000 0.4430523      0.6449462 
1 1 1 8  3  12 o 25.26069 0.4125883 153.1000   5.000000 1.469051       0.6424346 
1 1 1 8  3  13 o 25.34236 0.4523845 154.1000   5.500000 -0.2682571     0.6686094 
1 1 1 8  3  14 x ?        ?         ?          ?        -1.920270      0.8441448 
1 1 1 8  4  0  o 86.26944 0.5992859 1785.500   24.80000 0.000000       0.000000  
1 1 1 8  4  1  x ?        ?         ?          ?        ?              ?         
1 1 1 8  4  2  o 300.3234 1.751137  21640.40   252.3000 18.92123       3.296715  
1 1 1 8  4  3  o 125.4428 0.6148204 3774.700   37.00000 4.121094       1.295705  
1 1 1 8  4  4  o 394.9455 2.701719  37437.00   511.9000 11.97546       4.947125  
1 1 1 8  4  5  o 334.9375 1.555230  26913.30   249.9000 -5.940063      2.835405  
1 1 1 8  4  6  f 313.2844 1.454466  23546.20   218.6000 -7.942932      2.632164  
1 1 1 8  4  7  o 69.21256 0.3373069 1149.100   11.20000 1.798183       0.6562659 
1 1 1 8  4  8  o 99.06084 0.4629274 2354.100   22.00000 8.241737       0.8849542 
1 1 1 8  4  9  o 53.09300 0.2983792 676.2000   7.600000 0.1338577E-01  0.6398833 
1 1 1 8  4  10 o 36.03522 0.2603020 311.5000   4.500000 1.882660       0.4988940 
1 1 1 8  4  11 o 12.64984 0.6096895 38.40000   3.700000 0.5417147      1.074976  
1 1 1 8  4  12 o 93.21272 0.5165697 2085.000   23.10000 1.447578       0.9826764 
1 1 1 8  4  13 f 19.91741 0.5442050 95.20000   5.200000 1.051550       0.8297846 
1 1 1 8  4  14 x ?        ?         ?          ?        0.5550499      1.057337  
1 1 1 8  5  0  o 85.92082 0.5968648 1771.100   24.60000 0.000000       0.000000  
1 1 1 8  5  1  o 363.9046 5.614606  31851.00   980.2000 0.000000       5.283216  
1 1 1 8  5  2  o 205.3339 0.9786076 10114.30   96.40000 10.07599       1.782830  
1 1 1 8  5  3  o 292.6156 1.314289  20541.50   184.5000 5.431122       2.474115  
1 1 1 8  5  4  x ?        ?         ?          ?        ?              ?         
1 1 1 8  5  5  o 403.7577 2.193603  39115.10   424.9000 -15.25113      3.962996  
1 1 1 8  5  6  o 375.5076 1.821292  33833.70   328.1000 10.79971       4.595685  
1 1 1 8  5  7  o 127.5387 0.5687605 3902.100   34.80000 -1.943016      1.053437  
1 1 1 8  5  8  o 54.38871 0.2797733 709.6000   7.300000 0.4295731      0.5543289 
1 1 1 8  5  9  o 22.78165 0.2744911 124.5000   3.000000 0.5629730      0.4994487 
1 1 1 8  5  10 o 76.81806 0.3988835 1415.700   14.70000 4.516422       0.8102208 
1 1 1 8  5  11 o 27.94199 0.2909374 187.3000   3.900000 -0.4711761     0.5577342 
1 1 1 8  5  12 o 43.61914 0.3918581 456.5000   8.200000 0.8194656      0.6696740 
1 1 1 8  5  13 f 27.71523 0.4061323 184.3000   5.400000 0.5482979      0.7409046 
1 1 1 8  5  14 x ?        ?         ?          ?        -3.313037      1.580246  
1 1 1 8  6  0  o 166.0836 1.088245  6617.700   86.70000 -0.000000      0.000000  
1 1 1 8  6  1  o 190.9311 0.8406325 8745.000   77.00000 0.1231689      1.524118  
1 1 1 8  6  2  o 266.7380 1.111237  17068.50   142.2000 -1.748047      2.052274  
1 1 1 8  6  3  x ?        ?         ?          ?        ?              ?         
1 1 1 8  6  4  x ?        ?         ?          ?        ?              ?         
1 1 1 8  6  5  o 516.8798 5.580132  64214.00   1383.700 ?              ?         
1 1 1 8  6  6  o 294.4543 1.262900  20801.80   178.4000 -11.30707      2.258722  
1 1 1 8  6  7  o 85.99985 0.4435530 1774.200   18.30000 1.295418       0.7662877 
1 1 1 8  6  8  o 49.15479 0.2671572 579.6000   6.300000 0.7511139E-01  0.5231894 
1 1 1 8  6  9  o 45.98646 0.2900963 507.3000   6.400000 3.914207       0.5716628 
1 1 1 8  6  10 o 48.23749 0.3024862 558.2000   7.000000 -0.3038216     0.5821400 
1 1 1 8  6  11 o 38.75942 0.2957859 360.4000   5.500000 -0.6435356     0.5266980 
1 1 1 8  6  12 o 35.90003 0.3077324 309.2000   5.300000 2.465652       0.5511274 
1 1 1 8  6  13 o 6.908324 0.7672889 11.60000   2.500000 1.605030       1.154632  
1 1 1 8  6  14 x ?        ?         ?          ?        -1.406097      2.121865  
1 1 1 8  7  0  o 120.1144 0.8174543 3461.300   47.10000 0.000000       0.000000  
1 1 1 8  7  1  o 395.7473 3.034394  37599.60   576.1000 4.260284       5.533744  
1 1 1 8  7  2  o 268.3624 1.395785  17277.60   179.7000 -8.983719      2.777518  
1 1 1 8  7  3  o 527.3407 8.022924  67023.30   2029.700 0.000000       7.063831  
1 1 1 8  7  4  x ?        ?         ?          ?        ?              ?         
1 1 1 8  7  5  f 492.7137 3.072230  58276.40   726.2000 4.331726       6.664999  
1 1 1 8  7  6  o 315.3182 1.307583  23857.10   197.8000 -1.437347      2.334533  
1 1 1 8  7  7  o 106.9160 0.4893541 2742.400   25.10000 -1.779724      0.9137664 
1 1 1 8  7  8  f 49.23924 0.2878655 581.6000   6.800000 -0.3109589     0.5629973 
1 1 1 8  7  9  o 53.33649 0.3048332 682.5000   7.800000 4.476433       0.5971721 
1 1 1 8  7  10 o 15.60229 0.3339979 58.40000   2.500000 -0.6136293     0.5950040 
1 1 1 8  7  11 o 37.50216 0.2779111 337.5000   5.000000 0.7377167      0.5659322 
1 1 1 8  7  12 o 16.12639 0.4006975 62.40000   3.100000 1.489188       0.6765266 
1 1 1 8  7  13 o 16.96851 0.5282226 69.10000   4.300000 1.201007       0.7742348 
1 1 1 8  7  14 x ?        ?         ?          ?        0.8073573      1.311875  
1 1 1 8  8  0  o 376.2294 4.090996  33976.10   738.2000 0.000000       0.000000  
1 1 1 8  8  1  o 135.0937 0.9953365 4378.600   64.50000 0.000000       0.000000  
1 1 1 8  8  2  o 202.8320 1.429655  9870.700   139.1000 0.000000       0.000000  
1 1 1 8  8  3  o 339.4238 1.981902  27642.00   322.7000 0.000000       0.000000  
1 1 1 8  8  4  o 358.3242 2.090872  30806.50   359.4000 -0.000000      0.000000  
1 1 1 8  8  5  o 79.90173 0.6940510 1531.800   26.60000 0.000000       0.000000  
1 1 1 8  8  6  o 132.3154 0.8176856 4200.500   51.90000 -0.000000      0.000000  
1 1 1 8  8  7  f 16.91217 0.5063591 68.80000   4.100000 -0.000000      0.000000  
1 1 1 8  8  8  o 51.25854 0.4758785 630.5000   11.70000 -0.000000      0.000000  
1 1 1 8  8  9  o 20.69075 0.3629274 102.8000   3.600000 -0.000000      0.000000  
1 1 1 8  8  10 o 2.643657 1.522461  2.100000   3.100000 0.000000       0.000000  
1 1 1 8  8  11 o 17.34958 0.4572665 72.40000   3.800000 -0.000000      0.000000  
1 1 1 8  8  12 o 39.56949 0.5058979 376.2000   9.600000 -0.000000      0.000000  
1 1 1 8  8  13 o 7.363921 2.151310  16.20000   6.600000 0.000000       0.000000  
1 1 1 8  8  14 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 9  0  1  o 83.30736 0.9936615 1665.500   39.70000 0.000000       0.000000  
1 1 1 9  0  2  o 76.08954 0.7535217 1389.200   27.50000 0.000000       0.000000  
1 1 1 9  0  3  o 127.8276 0.8529289 3920.100   52.30000 0.000000       0.000000  
1 1 1 9  0  4  o 90.63790 0.6187000 1970.900   26.90000 -0.000000      0.000000  
1 1 1 9  0  5  o 141.0464 1.002096  4772.900   67.80000 -0.000000      0.000000  
1 1 1 9  0  6  o 243.7670 1.428984  14256.60   167.1000 0.000000       0.000000  
1 1 1 9  0  7  o 218.2765 1.533837  11434.60   160.6000 -0.000000      0.000000  
1 1 1 9  0  8  o 185.9910 1.330457  8305.500   118.7000 -0.000000      0.000000  
1 1 1 9  0  9  o 45.37240 0.6066655 494.2000   13.20000 -0.000000      0.000000  
1 1 1 9  0  10 o 31.17174 0.4683280 233.3000   7.000000 -0.000000      0.000000  
1 1 1 9  0  11 o 61.98202 0.5718190 922.4000   17.00000 -0.000000      0.000000  
1 1 1 9  0  12 o 48.57125 0.5322945 566.7000   12.40000 -0.000000      0.000000  
1 1 1 9  0  13 o 21.81823 0.7471768 114.9000   7.800000 -0.000000      0.000000  
1 1 1 9  0  14 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 9  1  0  o 135.1934 0.8419130 4384.800   54.60000 -0.000000      0.000000  
1 1 1 9  1  1  o 231.7316 1.050630  12882.10   116.8000 0.8646240      2.028761  
1 1 1 9  1  2  o 216.2388 0.9890219 11217.10   102.6000 -4.575836      1.914186  
1 1 1 9  1  3  o 355.5351 2.070177  30331.60   353.1000 -11.70486      3.873871  
1 1 1 9  1  4  o 148.6310 0.6535347 5299.200   46.60000 2.215088       1.245281  
1 1 1 9  1  5  o 115.9389 0.7011768 3224.400   39.00000 -12.62085      1.025303  
1 1 1 9  1  6  o 147.2049 0.6499539 5198.000   45.90000 7.166229       1.225769  
1 1 1 9  1  7  o 186.3131 0.9353087 8328.100   83.60000 3.245163       1.745777  
1 1 1 9  1  8  o 37.97814 0.3841993 346.0000   7.000000 -5.530521      0.5964961 
1 1 1 9  1  9  o 38.13724 0.3060772 348.9000   5.600000 -3.338596      0.6156545 
1 1 1 9  1  10 o 59.02457 0.3884651 835.8000   11.00000 1.858879       0.7743202 
1 1 1 9  1  11 o 57.74098 0.4223708 799.9000   11.70000 -2.069447      0.6986685 
1 1 1 9  1  12 o 42.38419 0.3688498 431.0000   7.500000 -1.031868      0.6442919 
1 1 1 9  1  13 o 25.06892 0.4822637 150.8000   5.800000 -1.919792      0.6789903 
1 1 1 9  1  14 x ?        ?         ?          ?        0.5234838      1.835347  
1 1 1 9  2  0  o 114.1267 0.7781438 3124.800   42.60000 -0.000000      0.000000  
1 1 1 9  2  1  o 317.5484 1.853732  24194.70   282.4000 12.95007       3.509187  
1 1 1 9  2  2  f 110.1522 0.6944882 2910.600   36.70000 -10.62920      1.350252  
1 1 1 9  2  3  o 303.1828 1.562054  22053.20   227.2000 5.007904       3.085616  
1 1 1 9  2  4  o 285.0212 1.326637  19488.90   181.4000 -3.094086      2.453054  
1 1 1 9  2  5  o 62.63984 0.3327680 941.2000   10.00000 4.686817       0.6031277 
1 1 1 9  2  6  o 123.0998 0.5723365 3635.000   33.80000 2.828590       1.104896  
1 1 1 9  2  7  o 136.3226 0.6697276 4458.200   43.80000 6.351700       1.273484  
1 1 1 9  2  8  o 137.0323 0.7058090 4505.400   46.40000 -4.207199      1.296004  
1 1 1 9  2  9  o 36.19655 0.3455224 314.3000   6.000000 3.179499       0.6710910 
1 1 1 9  2  10 o 93.03197 0.5242951 2076.600   23.40000 -1.322098      1.001593  
1 1 1 9  2  11 o 33.31058 0.3566849 266.2000   5.700000 -0.6481476     0.6496347 
1 1 1 9  2  12 o 28.11092 0.4004155 189.6000   5.400000 0.3062420      0.6779366 
1 1 1 9  2  13 f 8.758795 1.223307  18.80000   5.000000 -3.700407      1.798795  
1 1 1 9  2  14 x ?        ?         ?          ?        -1.131345      1.450637  
1 1 1 9  3  0  x ?        ?         ?          ?        ?              ?         
1 1 1 9  3  1  o 252.4236 1.312158  15286.30   158.9000 -9.215042      2.394312  
1 1 1 9  3  2  o 189.5363 0.8688142 8617.700   79.00000 -7.668289      1.691448  
1 1 1 9  3  3  o 212.6284 1.055812  10845.70   107.7000 6.210922       1.805647  
1 1 1 9  3  4  o 119.9110 0.5614818 3449.100   32.30000 4.395775       1.076873  
1 1 1 9  3  5  o 154.9650 0.9321627 5760.600   69.30000 -17.24712      1.327987  
1 1 1 9  3  6  o 234.5650 1.055712  13199.30   118.8000 1.537323       1.928888  
1 1 1 9  3  7  o 193.5010 0.8865612 8983.300   82.30000 4.261597       1.630093  
1 1 1 9  3  8  o 93.49381 0.4815740 2097.000   21.60000 3.143364       0.9143394 
1 1 1 9  3  9  o 32.01669 0.3125050 245.9000   4.800000 1.965420       0.6079389 
1 1 1 9  3  10 o 110.7664 0.6115998 2944.100   32.50000 -1.786057      1.144223  
1 1 1 9  3  11 f 46.90844 0.3643804 527.9000   8.200000 -0.7581024     0.6791281 
1 1 1 9  3  12 o 40.00600 0.3803557 384.0000   7.300000 1.278849       0.6459659 
1 1 1 9  3  13 o 14.83023 0.7308824 52.80000   5.200000 -1.302018      1.103396  
1 1 1 9  3  14 x ?        ?         ?          ?        -2.053080      1.399062  
1 1 1 9  4  0  o 307.9482 2.129707  22754.70   314.6000 ?              ?         
1 1 1 9  4  1  o 275.0174 1.239982  18145.10   163.6000 -13.47055      2.426344  
1 1 1 9  4  2  o 369.7137 2.321173  32803.20   411.7000 -2.686615      6.024880  
1 1 1 9  4  3  o 317.6313 1.546780  24204.80   235.7000 -2.197815      2.824946  
1 1 1 9  4  4  o 77.67345 0.4025416 1447.200   15.00000 0.5594559      0.8068306 
1 1 1 9  4  5  f 246.0878 1.284107  14527.90   151.6000 16.59485       2.205616  
1 1 1 9  4  6  o 210.8264 1.047040  10663.10   105.9000 15.65668       1.721054  
1 1 1 9  4  7  o 115.0017 0.5510125 3172.700   30.40000 -1.695412      1.101409  
1 1 1 9  4  8  o 45.00629 0.2964141 485.9000   6.400000 0.5147018      0.5783263 
1 1 1 9  4  9  o 67.07199 0.3667186 1079.200   11.80000 -1.214584      0.7409062 
1 1 1 9  4  10 o 49.71754 0.3563702 593.0000   8.500000 -1.101048      0.7038919 
1 1 1 9  4  11 o 20.70913 0.4428768 102.9000   4.400000 -1.248316      0.7957184 
1 1 1 9  4  12 o 38.67613 0.3826551 358.9000   7.100000 0.2307014      0.7014056 
1 1 1 9  4  13 o 44.07465 0.4209139 466.1000   8.900000 2.835691       0.7961589 
1 1 1 9  4  14 x ?        ?         ?          ?        -1.866077      1.845508  
1 1 1 9  5  0  x ?        ?         ?          ?        ?              ?         
1 1 1 9  5  1  o 130.8532 0.7056859 4107.400   44.30000 -11.16076      1.282950  
1 1 1 9  5  2  o 206.4863 0.9045007 10228.00   89.60000 -6.151337      1.783257  
1 1 1 9  5  3  o 112.4732 0.5596932 3034.500   30.20000 -0.1308060     1.094060  
1 1 1 9  5  4  o 443.7192 3.030946  47258.60   645.2000 7.687531       5.551738  
1 1 1 9  5  5  o 400.0370 1.940447  38396.70   372.4000 -8.645813      3.563566  
1 1 1 9  5  6  o 265.4455 1.145703  16905.00   145.9000 -7.827530      2.166908  
1 1 1 9  5  7  o 58.32362 0.3645423 816.0000   10.20000 3.232147       0.6168544 
1 1 1 9  5  8  o 94.49577 0.4566150 2142.200   20.70000 1.272247       0.8800458 
1 1 1 9  5  9  o 63.14403 0.3499176 956.5000   10.60000 0.8968658      0.6970505 
1 1 1 9  5  10 o 45.31901 0.2989683 492.7000   6.500000 -1.158150      0.5868303 
1 1 1 9  5  11 o 38.58052 0.3457833 357.1000   6.400000 1.078495       0.6568999 
1 1 1 9  5  12 f 32.01931 0.4101293 246.0000   6.300000 0.2758236      0.7026237 
1 1 1 9  5  13 o 12.09081 0.8853967 35.30000   5.100000 -0.9345112     1.298943  
1 1 1 9  5  14 x ?        ?         ?          ?        -0.4326501     1.540335  
1 1 1 9  6  0  o 147.6549 0.8979200 5230.400   63.60000 -0.000000      0.000000  
1 1 1 9  6  1  o 308.8378 1.390365  22883.00   206.0000 18.97571       2.723314  
1 1 1 9  6  2  o 138.9683 0.6779767 4632.600   45.20000 -8.019211      1.170025  
1 1 1 9  6  3  o 460.7017 4.069805  50976.50   899.5000 40.24933       8.319943  
1 1 1 9  6  4  x ?        ?         ?          ?        ?              ?         
1 1 1 9  6  5  o 344.3094 1.534692  28442.40   253.5000 -3.834686      2.800804  
1 1 1 9  6  6  o 216.4493 0.9456871 11240.20   98.20000 1.199265       1.709934  
1 1 1 9  6  7  o 121.2468 0.5535765 3526.800   32.20000 5.047287       1.028981  
1 1 1 9  6  8  o 75.51773 0.3781497 1368.100   13.70000 -0.1989098     0.7288825 
1 1 1 9  6  9  o 36.85129 0.2828196 325.8000   5.000000 -4.309866      0.5116776 
1 1 1 9  6  10 o 9.576800 0.6126488 22.10000   2.800000 0.5334063      0.9688938 
1 1 1 9  6  11 o 33.69622 0.3031147 272.5000   4.900000 -1.462458      0.5492935 
1 1 1 9  6  12 o 40.32365 0.3049891 390.1000   5.900000 1.484087       0.6071902 
1 1 1 9  6  13 o 46.74096 0.3969031 524.2000   8.900000 1.094826       0.7468119 
1 1 1 9  6  14 x ?        ?         ?          ?        0.8435364      1.812847  
1 1 1 9  7  0  o 212.8215 1.368401  10866.60   139.7000 0.000000       0.000000  
1 1 1 9  7  1  o 105.7684 0.5340791 2683.500   27.10000 4.113602       1.047345  
1 1 1 9  7  2  o 140.1444 0.5904822 4711.300   39.70000 -2.974670      1.120392  
1 1 1 9  7  3  f 253.3835 1.144303  15402.10   139.1000 2.634460       2.386361  
1 1 1 9  7  4  o 540.7394 8.360720  70511.40   2168.900 ?              ?         
1 1 1 9  7  5  o 381.9994 1.697031  35015.70   311.0000 7.556244       3.046117  
1 1 1 9  7  6  o 171.8140 0.7327749 7082.200   60.40000 -4.587387      1.339736  
1 1 1 9  7  7  o 96.20477 0.4766704 2220.400   22.00000 2.284721       0.8873111 
1 1 1 9  7  8  o 56.45181 0.3655522 764.5000   9.900000 3.141113       0.7318400 
1 1 1 9  7  9  o 95.85816 0.4501253 2204.600   20.70000 -1.620750      0.8730041 
1 1 1 9  7  10 o 25.19624 0.2895506 152.3000   3.500000 1.406521       0.4912062 
1 1 1 9  7  11 f 22.50317 0.3705173 121.5000   4.000000 2.640761       0.5689029 
1 1 1 9  7  12 o 32.86917 0.2980584 259.2000   4.700000 -1.362959      0.5516029 
1 1 1 9  7  13 o 18.63262 0.3691749 83.30000   3.300000 -1.230740      0.5743926 
1 1 1 9  7  14 x ?        ?         ?          ?        -0.7345085     1.250768  
1 1 1 9  8  0  o 73.75968 0.4889474 1305.200   17.30000 -0.000000      0.000000  
1 1 1 9  8  1  o 60.23084 0.3183912 870.2000   9.200000 -3.734188      0.6064343 
1 1 1 9  8  2  o 146.4955 0.7213994 5148.100   50.70000 5.215462       1.310548  
1 1 1 9  8  3  f 255.5172 1.109458  15662.50   136.0000 4.446930       2.007088  
1 1 1 9  8  4  f 262.9715 1.096240  16590.00   138.3000 1.476440       1.977198  
1 1 1 9  8  5  o 80.65018 0.4729747 1560.300   18.30000 -8.838470      0.7485276 
1 1 1 9  8  6  o 46.14488 0.3568582 510.8000   7.900000 6.640228       0.5048752 
1 1 1 9  8  7  o 71.75322 0.3544138 1235.100   12.20000 1.119049       0.6845844 
1 1 1 9  8  8  o 55.29213 0.3091311 733.4000   8.200000 1.568890       0.6230685 
1 1 1 9  8  9  o 18.13515 0.3218319 78.90000   2.800000 -0.3113937     0.5377529 
1 1 1 9  8  10 o 16.45991 0.3419231 65.00000   2.700000 -0.3524523     0.5471204 
1 1 1 9  8  11 o 37.31199 0.2793275 334.0000   5.000000 1.101686       0.5336476 
1 1 1 9  8  12 f 3.193564 1.308854  0.8000000  3.200000 -1.184879      1.591930  
1 1 1 9  8  13 o 17.18498 0.6064751 70.90000   5.000000 -0.7641783     0.8989749 
1 1 1 9  8  14 x ?        ?         ?          ?        0.5452471      1.653073  
1 1 1 9  9  0  x ?        ?         ?          ?        ?              ?         
1 1 1 9  9  1  o 264.3565 1.562932  16766.40   198.2000 -0.000000      0.000000  
1 1 1 9  9  2  o 122.5778 0.8163286 3604.700   48.00000 -0.000000      0.000000  
1 1 1 9  9  3  f 209.2791 1.245119  10507.60   125.0000 0.000000       0.000000  
1 1 1 9  9  4  o 29.04840 0.3589132 202.5000   5.000000 -0.000000      0.000000  
1 1 1 9  9  5  o 87.54151 0.5786648 1838.600   24.30000 0.000000       0.000000  
1 1 1 9  9  6  o 81.45026 0.5989195 1591.800   23.40000 -0.000000      0.000000  
1 1 1 9  9  7  o 12.61361 0.5644374 38.40000   3.400000 0.000000       0.000000  
1 1 1 9  9  8  o 74.10495 0.5373159 1317.800   19.10000 0.000000       0.000000  
1 1 1 9  9  9  o 3.570490 1.693984  4.500000   3.300000 0.000000       0.000000  
1 1 1 9  9  10 f 53.40273 0.4294223 684.5000   11.00000 -0.000000      0.000000  
1 1 1 9  9  11 o 17.32912 0.5182795 72.30000   4.300000 0.000000       0.000000  
1 1 1 9  9  12 f 37.99294 0.4335545 346.7000   7.900000 -0.000000      0.000000  
1 1 1 9  9  13 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 10 0  0  o 338.0404 3.020172  27421.80   489.7000 0.000000       0.000000  
1 1 1 10 0  1  o 349.3512 2.702059  29289.00   452.8000 0.000000       0.000000  
1 1 1 10 0  2  o 266.1775 1.707330  16999.00   218.0000 ?              ?         
1 1 1 10 0  3  o 111.2547 0.7513853 2969.500   40.10000 0.000000       0.000000  
1 1 1 10 0  4  o 44.88922 0.4505265 483.5000   9.700000 0.000000       0.000000  
1 1 1 10 0  5  o 96.49264 0.6135583 2233.700   28.40000 -0.000000      0.000000  
1 1 1 10 0  6  o 88.51627 0.6594492 1879.800   28.00000 0.000000       0.000000  
1 1 1 10 0  7  o 242.9680 1.697995  14173.00   197.9000 0.000000       0.000000  
1 1 1 10 0  8  o 77.44063 0.6218682 1439.100   23.10000 -0.000000      0.000000  
1 1 1 10 0  9  o 3.569710 1.899011  4.400000   4.400000 -0.000000      0.000000  
1 1 1 10 0  10 o 18.99450 0.6491840 86.90000   5.900000 0.000000       0.000000  
1 1 1 10 0  11 o 3.678779 2.086695  4.300000   5.700000 0.000000       0.000000  
1 1 1 10 0  12 o 36.94914 0.5474879 328.1000   9.700000 -0.000000      0.000000  
1 1 1 10 0  13 o 32.79205 0.6489446 258.8000   10.20000 -0.000000      0.000000  
1 1 1 10 0  14 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 10 1  0  o 25.77251 0.3155344 159.4000   3.900000 0.000000       0.000000  
1 1 1 10 1  1  o 318.7454 1.504752  24375.70   230.1000 -4.144745      2.823164  
1 1 1 10 1  2  o 134.3540 0.7012615 4330.100   45.20000 -7.655922      1.281924  
1 1 1 10 1  3  o 245.7675 1.154319  14490.10   136.1000 -11.25307      2.105317  
1 1 1 10 1  4  o 90.22707 0.4343233 1952.800   18.80000 0.7833328      0.8203787 
1 1 1 10 1  5  o 126.9250 0.5961447 3864.400   36.30000 10.12303       1.108673  
1 1 1 10 1  6  o 41.70929 0.2948569 417.3000   5.900000 -4.414963      0.5054834 
1 1 1 10 1  7  o 117.7160 0.6463225 3324.400   36.50000 7.581841       1.182728  
1 1 1 10 1  8  o 34.66132 0.3127162 288.2000   5.200000 1.528042       0.6099755 
1 1 1 10 1  9  f 28.11321 0.3484813 189.6000   4.700000 -2.400103      0.6139290 
1 1 1 10 1  10 o 147.2216 0.7872186 5202.500   55.60000 2.768936       1.416711  
1 1 1 10 1  11 o 42.38487 0.3590080 431.0000   7.300000 0.2137604      0.6356282 
1 1 1 10 1  12 o 38.79977 0.3814357 361.2000   7.100000 1.751701       0.6998487 
1 1 1 10 1  13 o 19.51406 0.6195444 91.40000   5.800000 -0.2840271     0.9038932 
1 1 1 10 1  14 x ?        ?         ?          ?        -1.008538      2.154020  
1 1 1 10 2  0  o 69.74760 0.6187430 1167.200   20.70000 -0.000000      0.000000  
1 1 1 10 2  1  o 217.3587 0.9887212 11333.70   103.1000 -5.600296      1.962957  
1 1 1 10 2  2  f 327.8561 1.691818  25790.10   266.1000 0.6155701      3.139536  
1 1 1 10 2  3  o 305.4926 1.494292  22390.30   219.0000 9.929108       2.766746  
1 1 1 10 2  4  o 109.6032 0.5439199 2881.600   28.60000 5.162437       0.9690508 
1 1 1 10 2  5  o 68.72955 0.3336117 1133.100   11.00000 0.4076538      0.6719880 
1 1 1 10 2  6  o 146.7358 0.6804428 5165.100   47.90000 5.200836       1.299344  
1 1 1 10 2  7  o 124.8224 0.6178758 3737.900   37.00000 -0.1699295     1.180498  
1 1 1 10 2  8  f 116.4649 0.6550559 3254.500   36.60000 5.843826       1.194364  
1 1 1 10 2  9  o 94.26212 0.5285096 2131.800   23.90000 -0.7075958     1.013793  
1 1 1 10 2  10 o 46.54753 0.3672056 519.8000   8.200000 1.654755       0.7026084 
1 1 1 10 2  11 o 16.74605 0.5850292 67.30000   4.700000 1.501479       0.8819856 
1 1 1 10 2  12 o 57.63676 0.4159014 797.1000   11.50000 -0.8237457E-01 0.7414312 
1 1 1 10 2  13 o 13.81256 0.8645402 46.00000   5.700000 0.9616995      1.101440  
1 1 1 10 2  14 x ?        ?         ?          ?        0.8748779      1.094887  
1 1 1 10 3  0  o 356.7485 3.164502  30547.50   541.5000 0.000000       0.000000  
1 1 1 10 3  1  o 454.6609 4.929397  49697.90   1075.200 0.000000       4.504144  
1 1 1 10 3  2  o 273.2372 1.282390  17910.90   168.1000 -0.9134369     2.649673  
1 1 1 10 3  3  o 17.89330 0.2795845 76.80000   2.400000 3.839992       0.5203058 
1 1 1 10 3  4  o 108.8400 0.5170915 2841.600   27.00000 1.248154       0.9687866 
1 1 1 10 3  5  o 316.4915 1.472000  24031.00   223.5000 -2.029144      2.651029  
1 1 1 10 3  6  o 213.8936 1.012534  10976.10   103.9000 11.61852       1.870039  
1 1 1 10 3  7  o 74.01510 0.3970918 1314.200   14.10000 2.625912       0.7488174 
1 1 1 10 3  8  o 74.09845 0.4472807 1317.200   15.90000 -0.6024094     0.8238065 
1 1 1 10 3  9  o 93.13145 0.5304496 2081.000   23.70000 0.6616058      1.037199  
1 1 1 10 3  10 o 38.07545 0.3503702 347.8000   6.400000 -1.361897      0.6648203 
1 1 1 10 3  11 o 62.40475 0.4175270 935.0000   12.50000 2.703671       0.7433781 
1 1 1 10 3  12 o 44.85296 0.3810789 482.7000   8.200000 1.893074       0.6700961 
1 1 1 10 3  13 o 35.65278 0.4267972 305.0000   7.300000 -1.701872      0.7047055 
1 1 1 10 3  14 x ?        ?         ?          ?        -0.1878142     1.821424  
1 1 1 10 4  0  o 91.51641 0.6332639 2009.300   27.80000 -0.000000      0.000000  
1 1 1 10 4  1  o 32.07611 0.3119260 246.8000   4.800000 -4.009415      0.6499659 
1 1 1 10 4  2  o 239.7278 1.136447  13786.60   130.7000 5.142731       2.231502  
1 1 1 10 4  3  o 176.4150 0.8117334 7465.700   68.70000 -1.511581      1.485811  
1 1 1 10 4  4  o 168.5487 0.7717049 6814.700   62.40000 -3.105225      1.482770  
1 1 1 10 4  5  o 389.0367 1.891905  36315.50   353.1000 4.190552       3.370383  
1 1 1 10 4  6  o 58.77958 0.4574624 828.8000   12.90000 7.954746       0.6174748 
1 1 1 10 4  7  o 80.19917 0.4080580 1543.000   15.70000 -1.641251      0.8541057 
1 1 1 10 4  8  o 67.24551 0.3936703 1084.800   12.70000 -1.702168      0.8630591 
1 1 1 10 4  9  o 91.83977 0.4788989 2024.100   21.10000 -2.382668      1.097141  
1 1 1 10 4  10 o 47.14609 0.4377052 533.3000   9.900000 0.3168602      0.7156706 
1 1 1 10 4  11 o 22.07206 0.4627489 117.0000   4.900000 0.7180290      0.7129601 
1 1 1 10 4  12 o 26.64002 0.4459974 170.3000   5.700000 -0.8722153     0.7380401 
1 1 1 10 4  13 o 9.090929 1.322815  20.30000   5.600000 -0.7906914     2.072100  
1 1 1 10 4  14 x ?        ?         ?          ?        -0.7643418     1.934248  
1 1 1 10 5  0  o 181.8041 1.093886  7929.600   95.40000 -0.000000      0.000000  
1 1 1 10 5  1  o 164.9314 0.8328643 6525.400   65.90000 -1.084686      1.430605  
1 1 1 10 5  2  o 292.8948 1.258950  20580.80   176.9000 0.1954346      2.319036  
1 1 1 10 5  3  o 129.9450 0.5598323 4050.500   34.90000 1.438171       1.058617  
1 1 1 10 5  4  o 390.9669 1.901758  36675.10   356.7000 -7.577606      3.390324  
1 1 1 10 5  5  o 96.40823 0.6572819 2229.600   30.40000 -7.120888      1.223568  
1 1 1 10 5  6  f 89.24903 0.5091493 1910.800   21.80000 -6.824913      0.8636336 
1 1 1 10 5  7  o 34.11612 0.2749445 279.2000   4.500000 -0.3662109E-03 0.5555097 
1 1 1 10 5  8  o 102.9122 0.5448509 2541.000   26.90000 1.459557       1.054465  
1 1 1 10 5  9  o 48.26775 0.3109336 558.9000   7.200000 3.700924       0.6436836 
1 1 1 10 5  10 o 43.76978 0.3047879 459.6000   6.400000 2.563950       0.6291548 
1 1 1 10 5  11 o 29.25092 0.4133145 205.3000   5.800000 1.661280       0.7040781 
1 1 1 10 5  12 o 31.57977 0.4092370 239.3000   6.200000 -0.7848949     0.6729253 
1 1 1 10 5  13 f 19.42682 0.6437861 90.60000   6.000000 -1.551815      0.9570386 
1 1 1 10 5  14 x ?        ?         ?          ?        0.7628462      2.056799  
1 1 1 10 6  0  o 145.7884 0.8893977 5099.000   62.20000 -0.000000      0.000000  
1 1 1 10 6  1  o 14.21932 0.3958012 48.50000   2.700000 7.935414       0.5756525 
1 1 1 10 6  2  o 80.77805 0.3896510 1565.200   15.10000 -1.091713      0.7724913 
1 1 1 10 6  3  o 278.3148 1.251504  18582.50   167.1000 -3.891129      2.194739  
1 1 1 10 6  4  o 379.1214 1.757747  34486.30   319.7000 -5.179718      3.280735  
1 1 1 10 6  5  o 269.2543 1.160463  17393.70   149.9000 -7.335678      2.103706  
1 1 1 10 6  6  f 168.9533 0.7513508 6848.600   60.90000 3.059769       1.429389  
1 1 1 10 6  7  o 125.1345 0.5763565 3756.900   34.60000 -3.735474      1.073889  
1 1 1 10 6  8  o 33.98716 0.2882538 277.1000   4.700000 -3.395084      0.5332579 
1 1 1 10 6  9  o 44.03588 0.3124132 465.2000   6.600000 -2.340996      0.5509555 
1 1 1 10 6  10 o 15.23624 0.4377885 55.70000   3.200000 1.629023       0.6806883 
1 1 1 10 6  11 o 22.03545 0.3500032 116.5000   3.700000 -0.4815578     0.5849595 
1 1 1 10 6  12 o 54.76538 0.4186766 719.7000   11.00000 -0.4771767     0.8024268 
1 1 1 10 6  13 o 21.20150 0.5800661 107.9000   5.900000 0.1375008E-01  0.8644674 
1 1 1 10 6  14 x ?        ?         ?          ?        -3.802962      1.112758  
1 1 1 10 7  0  o 141.9446 0.9443379 4833.800   64.30000 0.000000       0.000000  
1 1 1 10 7  1  o 149.9425 0.6714514 5393.200   48.30000 -2.834076      1.227455  
1 1 1 10 7  2  o 62.66302 0.3426242 941.9000   10.30000 2.589615       0.6558933 
1 1 1 10 7  3  o 174.7488 0.8373655 7325.400   70.20000 -0.4375305     1.536642  
1 1 1 10 7  4  o 126.8354 0.5801315 3859.000   35.30000 0.9591675E-01  1.093007  
1 1 1 10 7  5  o 127.5027 0.6065220 3899.900   37.10000 8.695908       1.114370  
1 1 1 10 7  6  o 99.14404 0.4793584 2358.100   22.80000 -5.567123      0.9356357 
1 1 1 10 7  7  o 59.44130 0.3261271 847.6000   9.300000 0.2820702      0.6533949 
1 1 1 10 7  8  o 51.48164 0.3077183 635.8000   7.600000 1.401684       0.6278424 
1 1 1 10 7  9  o 27.37683 0.2817155 179.8000   3.700000 1.533443       0.4994062 
1 1 1 10 7  10 o 64.52693 0.3844130 999.0000   11.90000 -0.4740601     0.7161047 
1 1 1 10 7  11 o 23.84264 0.3671869 136.4000   4.200000 -0.4121380     0.5679753 
1 1 1 10 7  12 o 39.86500 0.3294131 381.3000   6.300000 -0.9778671     0.5996476 
1 1 1 10 7  13 o 22.52703 0.4996685 121.8000   5.400000 -4.951920      0.8751438 
1 1 1 10 7  14 x ?        ?         ?          ?        -1.690681      2.069577  
1 1 1 10 8  0  o 141.4084 0.8609262 4797.200   58.40000 -0.000000      0.000000  
1 1 1 10 8  1  f 211.0659 0.9233912 10686.80   93.50000 5.580063       1.655245  
1 1 1 10 8  2  o 198.3895 0.8184856 9441.500   77.90000 4.258453       1.520080  
1 1 1 10 8  3  o 157.1253 0.6725955 5922.300   50.70000 3.027512       1.285999  
1 1 1 10 8  4  o 70.16970 0.3594413 1181.100   12.10000 -3.734234      0.7231706 
1 1 1 10 8  5  o 101.3439 0.4607259 2463.800   22.40000 5.414780       0.8577834 
1 1 1 10 8  6  o 73.35563 0.4148696 1290.900   14.60000 2.109257       0.7748532 
1 1 1 10 8  7  o 40.66036 0.2922105 396.6000   5.700000 3.459455       0.5361504 
1 1 1 10 8  8  o 64.48204 0.3458893 997.5000   10.70000 1.316765       0.6864320 
1 1 1 10 8  9  o 44.71189 0.2890419 479.6000   6.200000 -0.3551483E-01 0.5728668 
1 1 1 10 8  10 o 29.09615 0.2722327 203.1000   3.800000 -0.1555653     0.4724087 
1 1 1 10 8  11 o 15.65204 0.4927459 58.80000   3.700000 1.706665       0.7610358 
1 1 1 10 8  12 o 49.39911 0.3291302 585.5000   7.800000 -1.244720      0.5938456 
1 1 1 10 8  13 x ?        ?         ?          ?        -1.646670      0.6432056 
1 1 1 10 9  0  o 110.6647 0.7591612 2938.100   40.30000 0.000000       0.000000  
1 1 1 10 9  1  o 132.1047 0.5964384 4186.300   37.80000 -1.104973      1.118605  
1 1 1 10 9  2  o 71.48254 0.3615879 1225.700   12.40000 -1.514290      0.6857524 
1 1 1 10 9  3  o 55.24500 0.3056217 732.1000   8.100000 -2.171719      0.5956257 
1 1 1 10 9  4  o 160.4969 0.7156113 6179.800   55.10000 3.426788       1.258650  
1 1 1 10 9  5  o 82.08811 0.3910503 1616.500   15.40000 -4.576035      0.7584771 
1 1 1 10 9  6  o 38.92142 0.2784882 363.4000   5.200000 -0.3357697E-01 0.5028383 
1 1 1 10 9  7  o 37.52512 0.2944055 337.8000   5.300000 3.478786       0.5217754 
1 1 1 10 9  8  o 58.19927 0.3295053 812.6000   9.200000 -0.8641052     0.6709831 
1 1 1 10 9  9  o 10.56782 0.4931133 26.80000   2.500000 -0.9805732     0.8376070 
1 1 1 10 9  10 o 19.40732 0.3329571 90.40000   3.100000 0.6015148      0.5333505 
1 1 1 10 9  11 o 42.10711 0.3019719 425.4000   6.100000 -1.490259      0.4901812 
1 1 1 10 9  12 o 50.63139 0.3417043 615.1000   8.300000 -0.3388596E-01 0.6384391 
1 1 1 10 9  13 x ?        ?         ?          ?        -2.043589      0.8651815 
1 1 1 10 10 0  o 62.99649 0.5890895 952.2000   17.80000 0.000000       0.000000  
1 1 1 10 10 1  o 45.43895 0.4313004 495.4000   9.400000 0.000000       0.000000  
1 1 1 10 10 2  o 36.79661 0.3966395 324.9000   7.000000 0.000000       0.000000  
1 1 1 10 10 3  f 9.779284 0.8010187 23.40000   3.700000 0.000000       0.000000  
1 1 1 10 10 4  o 28.56052 0.4235155 195.8000   5.800000 0.000000       0.000000  
1 1 1 10 10 5  o 126.1663 0.7997119 3819.600   48.40000 0.000000       0.000000  
1 1 1 10 10 6  o 55.81474 0.4519524 747.5000   12.10000 -0.000000      0.000000  
1 1 1 10 10 7  o 78.66862 0.5670942 1485.100   21.40000 0.000000       0.000000  
1 1 1 10 10 8  o 73.89395 0.5529605 1310.500   19.60000 0.000000       0.000000  
1 1 1 10 10 9  o 21.65313 0.5011878 112.7000   5.200000 -0.000000      0.000000  
1 1 1 10 10 10 o 11.77695 0.8051130 33.80000   4.500000 0.000000       0.000000  
1 1 1 10 10 11 o 6.252707 1.874849  11.70000   4.900000 0.000000       0.000000  
1 1 1 10 10 12 o 7.328850 1.589727  14.70000   4.900000 0.000000       0.000000  
1 1 1 10 10 13 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 11 0  1  o 76.44951 0.5890189 1402.200   21.60000 0.000000       0.000000  
1 1 1 11 0  2  o 118.5743 0.8702806 3373.200   49.50000 0.000000       0.000000  
1 1 1 11 0  3  o 17.94965 0.5469502 77.50000   4.700000 0.000000       0.000000  
1 1 1 11 0  4  o 47.16203 0.4730225 533.7000   10.70000 0.000000       0.000000  
1 1 1 11 0  5  o 10.32409 0.5692824 25.80000   2.800000 0.000000       0.000000  
1 1 1 11 0  6  o 31.12162 0.3081653 232.4000   4.600000 0.000000       0.000000  
1 1 1 11 0  7  o 41.64698 0.4155124 416.2000   8.300000 0.000000       0.000000  
1 1 1 11 0  8  o 43.77164 0.4668062 459.8000   9.800000 0.000000       0.000000  
1 1 1 11 0  9  o 67.69489 0.6036291 1099.900   19.60000 -0.000000      0.000000  
1 1 1 11 0  10 o 116.8967 0.9148864 3283.100   51.30000 -0.000000      0.000000  
1 1 1 11 0  11 f 15.49657 0.9497474 58.40000   7.000000 -0.000000      0.000000  
1 1 1 11 0  12 o 20.79767 0.7944116 104.5000   7.900000 -0.000000      0.000000  
1 1 1 11 0  13 o 19.69360 1.011613  94.30000   9.500000 -0.000000      0.000000  
1 1 1 11 0  14 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 11 1  0  o 176.0643 1.159167  7437.000   97.90000 -0.000000      0.000000  
1 1 1 11 1  1  o 130.1067 0.6456507 4060.600   40.30000 6.719627       1.215444  
1 1 1 11 1  2  o 32.16053 0.2462932 248.1000   3.800000 -1.093527      0.5148351 
1 1 1 11 1  3  o 214.6913 1.017511  11057.20   104.8000 14.84444       1.900058  
1 1 1 11 1  4  o 171.7264 0.7926261 7074.100   65.30000 4.509476       1.487353  
1 1 1 11 1  5  o 39.77012 0.3564053 379.4000   6.800000 11.05182       0.5594170 
1 1 1 11 1  6  o 16.96024 0.2580949 69.00000   2.100000 -0.4950800     0.4514075 
1 1 1 11 1  7  o 57.39010 0.3668399 790.1000   10.10000 2.633804       0.8633180 
1 1 1 11 1  8  o 168.3981 0.8726581 6805.900   70.50000 2.410049       1.620905  
1 1 1 11 1  9  o 17.26119 0.4588863 71.50000   3.800000 -4.045338      0.7034205 
1 1 1 11 1  10 f 52.44970 0.3775485 660.0000   9.500000 -0.5415421     0.7226680 
1 1 1 11 1  11 o 47.82573 0.3879007 548.8000   8.900000 1.322422       0.6831150 
1 1 1 11 1  12 o 39.79485 0.4190398 380.0000   8.000000 -1.287027      0.7516518 
1 1 1 11 1  13 o 14.18511 0.8413531 48.50000   5.700000 -0.6137085E-01 1.250142  
1 1 1 11 1  14 x ?        ?         ?          ?        -0.8635473     1.397719  
1 1 1 11 2  0  o 223.5950 1.442318  11994.70   154.7000 0.000000       0.000000  
1 1 1 11 2  1  o 127.8521 0.6602969 3921.100   40.50000 -5.618996      1.301846  
1 1 1 11 2  2  o 71.00825 0.5195850 1209.500   17.70000 13.69048       0.7695582 
1 1 1 11 2  3  o 194.0134 0.9293439 9029.700   86.50000 -2.639343      1.684019  
1 1 1 11 2  4  o 126.4278 0.6149764 3834.200   37.30000 6.011444       1.093553  
1 1 1 11 2  5  o 119.9435 0.5283102 3451.000   30.40000 2.030838       1.026606  
1 1 1 11 2  6  o 174.8780 0.7747656 7337.000   65.00000 -4.269119      1.436695  
1 1 1 11 2  7  o 124.3502 0.5749630 3709.800   34.30000 0.2906876      1.129304  
1 1 1 11 2  8  o 16.14064 0.4390867 62.50000   3.400000 3.656328       0.5968374 
1 1 1 11 2  9  o 71.81324 0.4499035 1237.300   15.50000 1.241802       0.8968754 
1 1 1 11 2  10 o 16.93279 0.5170267 68.80000   4.200000 -2.252346      0.8619497 
1 1 1 11 2  11 o 11.54711 0.8544983 32.20000   4.700000 -0.2491570E-01 1.423008  
1 1 1 11 2  12 f 34.89591 0.4181342 292.2000   7.000000 0.8012505      0.6928622 
1 1 1 11 2  13 o 11.12082 1.062580  30.00000   5.600000 0.1012011      1.417410  
1 1 1 11 2  14 x ?        ?         ?          ?        -0.4233966     2.170267  
1 1 1 11 3  0  o 66.44689 0.5427862 1059.300   17.30000 0.000000       0.000000  
1 1 1 11 3  1  o 80.73112 0.4905743 1563.400   19.00000 -3.735794      0.9835036 
1 1 1 11 3  2  o 146.1457 0.7159945 5123.500   50.20000 -1.233528      1.422024  
1 1 1 11 3  3  o 193.9397 0.8533868 9022.700   79.40000 0.9732056      1.615832  
1 1 1 11 3  4  o 142.8105 0.6670342 4892.300   45.70000 -1.181190      1.232768  
1 1 1 11 3  5  o 212.3651 0.9599484 10819.20   97.80000 6.570770       1.680456  
1 1 1 11 3  6  o 129.8201 0.6197797 4043.100   38.60000 -0.2685471     1.163308  
1 1 1 11 3  7  o 65.38873 0.3729711 1025.700   11.70000 5.562031       0.6843494 
1 1 1 11 3  8  f 59.12089 0.3631520 838.5000   10.30000 -0.9370193     0.7457644 
1 1 1 11 3  9  o 29.08927 0.3367884 203.0000   4.700000 0.7389488      0.6415900 
1 1 1 11 3  10 o 12.98818 0.6763905 40.60000   4.200000 2.080432       1.015414  
1 1 1 11 3  11 o 34.72336 0.3961998 289.3000   6.600000 3.641472       0.6314524 
1 1 1 11 3  12 o 11.32216 0.9097914 31.00000   4.900000 0.2595444      1.210791  
1 1 1 11 3  13 o 7.813916 1.702094  15.30000   6.200000 1.535093       2.053569  
1 1 1 11 3  14 x ?        ?         ?          ?        0.4564905      1.162161  
1 1 1 11 4  0  o 70.61424 0.5284545 1196.300   17.90000 -0.000000      0.000000  
1 1 1 11 4  1  o 266.4988 1.200619  17037.80   153.5000 -13.27220      2.236593  
1 1 1 11 4  2  o 221.7192 0.9354315 11792.90   99.50000 7.187866       1.745396  
1 1 1 11 4  3  o 184.6231 0.8185480 8176.600   72.50000 5.096573       1.924784  
1 1 1 11 4  4  o 312.8476 1.461161  23481.30   219.3000 4.993317       2.709738  
1 1 1 11 4  5  o 60.33383 0.4560423 873.2000   13.20000 9.751114       0.6376349 
1 1 1 11 4  6  o 27.40822 0.3042085 180.2000   4.000000 4.648008       0.5223348 
1 1 1 11 4  7  o 51.38900 0.3082730 633.5000   7.600000 1.948566       0.6137103 
1 1 1 11 4  8  o 57.75833 0.3608922 800.3000   10.00000 -0.1647148     0.7437503 
1 1 1 11 4  9  o 60.92078 0.3900601 890.4000   11.40000 2.865582       0.7659191 
1 1 1 11 4  10 o 8.931299 0.9972533 19.40000   4.200000 -0.5184712     1.616809  
1 1 1 11 4  11 o 33.97665 0.4049072 277.0000   6.600000 1.317354       0.7008762 
1 1 1 11 4  12 o 43.02995 0.4117563 444.3000   8.500000 -0.7799053     0.7135869 
1 1 1 11 4  13 o 15.48764 0.8511713 57.80000   6.300000 -0.4788361     1.211548  
1 1 1 11 4  14 x ?        ?         ?          ?        -2.635990      1.235255  
1 1 1 11 5  0  o 197.1660 1.381923  9326.900   130.7000 -0.000000      0.000000  
1 1 1 11 5  1  o 188.0062 0.8991680 8479.100   81.10000 13.71410       1.569142  
1 1 1 11 5  2  o 171.0127 0.7910583 7015.500   64.90000 -4.028305      1.480320  
1 1 1 11 5  3  o 117.1288 0.5178708 3290.900   29.10000 -3.115829      1.003441  
1 1 1 11 5  4  f 375.9467 1.739878  33912.80   313.8000 7.748260       3.088605  
1 1 1 11 5  5  o 66.21691 0.4407083 1051.800   14.00000 11.24593       0.7852458 
1 1 1 11 5  6  o 70.81544 0.3885421 1203.000   13.20000 -2.149704      0.7386038 
1 1 1 11 5  7  o 11.33069 0.4231199 30.80000   2.300000 -1.592639      0.8036559 
1 1 1 11 5  8  o 84.83671 0.4299782 1726.700   17.50000 -1.131027      0.8476160 
1 1 1 11 5  9  o 25.84059 0.3791295 160.2000   4.700000 -0.9559727     0.6176882 
1 1 1 11 5  10 o 32.33931 0.2964962 250.9000   4.600000 1.721922       0.5670153 
1 1 1 11 5  11 o 12.19858 0.8076906 35.90000   4.700000 -3.233539      1.088902  
1 1 1 11 5  12 o 35.63924 0.4328082 304.8000   7.400000 0.1011333      0.7396149 
1 1 1 11 5  13 o 9.186473 1.406176  20.80000   6.000000 -1.846151      2.007464  
1 1 1 11 5  14 x ?        ?         ?          ?        -0.3656497     1.939629  
1 1 1 11 6  0  o 39.46722 0.4702020 373.8000   8.900000 -0.000000      0.000000  
1 1 1 11 6  1  f 118.3183 0.5443755 3358.100   30.90000 -4.457306      1.006286  
1 1 1 11 6  2  o 19.70073 0.4338041 93.10000   4.100000 10.19664       0.5581884 
1 1 1 11 6  3  o 186.5020 0.8617136 8344.000   77.10000 -2.337952      1.553411  
1 1 1 11 6  4  o 131.8758 0.6543762 4171.900   41.40000 5.312080       1.271756  
1 1 1 11 6  5  o 123.3286 0.5898665 3648.800   34.90000 -2.718597      1.113430  
1 1 1 11 6  6  o 141.2978 0.7036797 4790.600   47.70000 -5.861015      1.265678  
1 1 1 11 6  7  o 107.5641 0.5426037 2776.000   28.00000 -0.2017517     1.025839  
1 1 1 11 6  8  o 39.89430 0.2873717 381.8000   5.500000 -2.045849      0.6032880 
1 1 1 11 6  9  o 33.03456 0.2965660 261.8000   4.700000 -3.060688      0.6176739 
1 1 1 11 6  10 o 24.45612 0.3579759 143.5000   4.200000 -0.3999290     0.6199479 
1 1 1 11 6  11 o 21.16662 0.3545219 107.5000   3.600000 -0.7426434     0.7363373 
1 1 1 11 6  12 o 46.55885 0.4342718 520.2000   9.700000 -2.095055      0.6904519 
1 1 1 11 6  13 x ?        ?         ?          ?        -2.313614      0.9529151 
1 1 1 11 6  14 x ?        ?         ?          ?        -2.343623      2.182938  
1 1 1 11 7  0  o 146.3053 1.060124  5135.500   74.40000 0.000000       0.000000  
1 1 1 11 7  1  o 108.1613 0.5550252 2806.300   28.80000 9.117188       0.9449225 
1 1 1 11 7  2  o 136.1680 0.6429338 4447.800   42.00000 -3.854424      1.252298  
1 1 1 11 7  3  o 34.87801 0.2749149 291.8000   4.600000 5.070236       0.4825068 
1 1 1 11 7  4  f 113.8307 0.5475250 3108.300   29.90000 1.390503       1.004626  
1 1 1 11 7  5  o 24.71275 0.3120850 146.5000   3.700000 3.067387       0.5419567 
1 1 1 11 7  6  o 63.88909 0.3556247 979.2000   10.90000 -4.652378      0.6939517 
1 1 1 11 7  7  o 60.22118 0.3288262 870.0000   9.500000 -2.071671      0.6611148 
1 1 1 11 7  8  o 67.40603 0.3989175 1090.200   12.90000 -2.872318      0.7609189 
1 1 1 11 7  9  o 53.21904 0.3329232 679.5000   8.500000 -0.4898567     0.6516957 
1 1 1 11 7  10 o 17.06712 0.4518909 69.90000   3.700000 -1.025454      0.6978780 
1 1 1 11 7  11 f 20.11502 0.4248695 97.10000   4.100000 1.630574       0.6461085 
1 1 1 11 7  12 o 25.15172 0.3895133 151.8000   4.700000 0.6644182      0.6152231 
1 1 1 11 7  13 x ?        ?         ?          ?        -3.835755      1.180126  
1 1 1 11 8  0  o 153.3992 0.9390394 5645.300   69.10000 0.000000       0.000000  
1 1 1 11 8  1  o 52.99986 0.2831717 673.8000   7.200000 3.499233       0.5911034 
1 1 1 11 8  2  o 188.5338 0.8093081 8526.900   73.20000 -5.390045      1.503598  
1 1 1 11 8  3  o 53.74162 0.3296859 692.8000   8.500000 -4.226215      0.5976905 
1 1 1 11 8  4  o 16.66249 0.3377661 66.60000   2.700000 -2.862629      0.5589728 
1 1 1 11 8  5  o 19.53012 0.3522095 91.50000   3.300000 -2.174677      0.5729958 
1 1 1 11 8  6  o 4.692190 1.087426  5.500000   2.400000 -2.446825      1.414498  
1 1 1 11 8  7  o 25.88992 0.3220486 160.8000   4.000000 4.022926       0.5173957 
1 1 1 11 8  8  o 44.65098 0.3127778 478.3000   6.700000 -0.8900719     0.6259882 
1 1 1 11 8  9  o 40.22000 0.3213229 388.1000   6.200000 3.987329       0.5598262 
1 1 1 11 8  10 o 30.78344 0.2708538 227.4000   4.000000 -0.7829018     0.4726459 
1 1 1 11 8  11 o 19.81124 0.4524274 94.20000   4.300000 1.843565       0.6927038 
1 1 1 11 8  12 o 64.23206 0.3699518 990.0000   11.40000 -2.008202      0.6932631 
1 1 1 11 8  13 x ?        ?         ?          ?        -0.7966013     0.9877044 
1 1 1 11 9  0  o 146.3140 0.8976015 5135.900   63.00000 0.000000       0.000000  
1 1 1 11 9  1  o 82.77322 0.4180328 1643.500   16.60000 -5.785362      0.7854248 
1 1 1 11 9  2  o 27.34756 0.2896391 179.4000   3.800000 -2.212498      0.5500788 
1 1 1 11 9  3  o 23.65273 0.2996331 134.2000   3.400000 0.4466934      0.5609307 
1 1 1 11 9  4  o 94.66252 0.4381948 2149.700   19.90000 -0.6458130     0.8528896 
1 1 1 11 9  5  o 37.98387 0.2688989 346.1000   4.900000 1.045855       0.5271846 
1 1 1 11 9  6  o 21.54929 0.2998616 111.4000   3.100000 -1.559460      0.5185736 
1 1 1 11 9  7  o 67.40457 0.3587243 1090.000   11.60000 1.346664       0.7154992 
1 1 1 11 9  8  o 47.94506 0.3260690 551.5000   7.500000 -1.057278      0.6542193 
1 1 1 11 9  9  o 25.99307 0.3127513 162.1000   3.900000 -2.062702      0.5394021 
1 1 1 11 9  10 o 15.39763 0.4331997 56.90000   3.200000 -0.4161282     0.6448763 
1 1 1 11 9  11 o 13.46080 0.5265023 43.50000   3.400000 -1.663889      0.7728791 
1 1 1 11 9  12 o 7.435975 1.279557  13.70000   4.400000 1.121438       1.653655  
1 1 1 11 9  13 x ?        ?         ?          ?        0.6461353      0.8239437 
1 1 1 11 10 0  o 29.30568 0.3557579 206.1000   5.000000 -0.000000      0.000000  
1 1 1 11 10 1  o 29.93116 0.3064229 214.9000   4.400000 2.404814       0.5802657 
1 1 1 11 10 2  o 116.1290 0.5995124 3235.300   33.40000 -10.16357      1.019700  
1 1 1 11 10 3  o 50.74022 0.3286471 617.6000   8.000000 -0.6559067     0.6132590 
1 1 1 11 10 4  o 32.00381 0.2930914 245.7000   4.500000 4.329437       0.5075278 
1 1 1 11 10 5  o 12.76570 0.4735279 39.10000   2.900000 -2.950102      0.7294964 
1 1 1 11 10 6  o 80.49146 0.3988073 1554.400   15.40000 1.261307       0.7932441 
1 1 1 11 10 7  o 18.31698 0.3641567 80.50000   3.200000 -0.2119360     0.6896321 
1 1 1 11 10 8  o 27.16926 0.3068841 177.1000   4.000000 0.2361679      0.5694454 
1 1 1 11 10 9  o 28.02142 0.3347454 188.4000   4.500000 0.6435699      0.5596705 
1 1 1 11 10 10 o 24.05802 0.3812281 138.9000   4.400000 1.735023       0.5784570 
1 1 1 11 10 11 o 19.36383 0.4413515 90.00000   4.100000 0.4876919      0.6414506 
1 1 1 11 10 12 o 36.96603 0.3270524 327.9000   5.800000 2.395271       0.5827981 
1 1 1 11 10 13 x ?        ?         ?          ?        -1.473764      0.8565673 
1 1 1 11 11 0  o 41.98059 0.5861604 423.0000   11.80000 -0.000000      0.000000  
1 1 1 11 11 1  o 25.09790 0.3739251 151.2000   4.500000 -0.000000      0.000000  
1 1 1 11 11 2  o 28.80269 0.3692240 199.1000   5.100000 -0.000000      0.000000  
1 1 1 11 11 3  o 95.11116 0.7035893 2170.600   32.10000 -0.000000      0.000000  
1 1 1 11 11 4  o 65.61777 0.4924446 1033.100   15.50000 0.000000       0.000000  
1 1 1 11 11 5  o 5.376394 1.679763  8.700000   3.800000 0.000000       0.000000  
1 1 1 11 11 6  o 115.6237 0.8906975 3209.300   49.40000 -0.000000      0.000000  
1 1 1 11 11 7  o 13.67627 0.6588653 45.20000   4.300000 -0.000000      0.000000  
1 1 1 11 11 8  o 15.78313 0.6496371 60.10000   4.900000 0.000000       0.000000  
1 1 1 11 11 9  o 19.85518 0.5890772 94.90000   5.600000 -0.000000      0.000000  
1 1 1 11 11 10 o 3.627507 2.064047  4.200000   5.600000 0.000000       0.000000  
1 1 1 11 11 11 o 3.030210 1.904752  1.200000   5.800000 -0.000000      0.000000  
1 1 1 11 11 12 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 11 11 13 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 12 0  0  o 330.8947 2.959383  26274.40   469.7000 -0.000000      0.000000  
1 1 1 12 0  1  o 46.92373 0.5732384 528.4000   12.90000 0.000000       0.000000  
1 1 1 12 0  2  o 52.31367 0.7693891 656.9000   19.30000 -0.000000      0.000000  
1 1 1 12 0  3  o 87.33395 0.7591193 1830.000   31.80000 0.000000       0.000000  
1 1 1 12 0  4  o 49.98761 0.4003721 599.5000   9.600000 -0.000000      0.000000  
1 1 1 12 0  5  o 57.81402 0.5481387 802.0000   15.20000 0.000000       0.000000  
1 1 1 12 0  6  o 113.0605 0.7246258 3067.000   39.30000 0.000000       0.000000  
1 1 1 12 0  7  o 41.29871 0.4392235 409.3000   8.700000 0.000000       0.000000  
1 1 1 12 0  8  o 2.724913 1.721128  0.7000000  4.800000 0.000000       0.000000  
1 1 1 12 0  9  o 29.27208 0.5202006 205.8000   7.300000 0.000000       0.000000  
1 1 1 12 0  10 o 37.18675 0.5327560 332.1000   9.500000 -0.000000      0.000000  
1 1 1 12 0  11 o 23.21702 0.7198167 129.9000   8.000000 -0.000000      0.000000  
1 1 1 12 0  12 o 9.544203 1.833632  24.40000   7.500000 0.000000       0.000000  
1 1 1 12 0  13 o 2.823876 1.932742  -5.000000  8.300000 -0.000000      0.000000  
1 1 1 12 0  14 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 12 1  0  o 89.60189 0.7910977 1926.300   34.00000 -0.000000      0.000000  
1 1 1 12 1  1  o 82.84639 0.5535302 1646.400   22.00000 -6.014824      0.8974614 
1 1 1 12 1  2  o 184.7335 0.9354079 8186.600   82.90000 13.97612       1.667964  
1 1 1 12 1  3  o 96.76113 0.5536360 2245.900   25.70000 6.801331       0.9922042 
1 1 1 12 1  4  o 119.8513 0.5721965 3445.700   32.90000 -2.155907      1.120496  
1 1 1 12 1  5  o 32.63630 0.3576673 255.5000   5.600000 -5.263599      0.5487218 
1 1 1 12 1  6  o 80.49114 0.4013985 1554.200   15.50000 -3.180885      0.7728342 
1 1 1 12 1  7  o 171.0674 0.7371915 7022.500   60.50000 0.3523865      1.398179  
1 1 1 12 1  8  o 84.63040 0.4950646 1718.400   20.10000 -0.9870758     1.014711  
1 1 1 12 1  9  o 59.73514 0.3978021 856.1000   11.40000 -2.148151      0.7734128 
1 1 1 12 1  10 o 21.55614 0.4738241 111.5000   4.900000 -1.881935      0.7608756 
1 1 1 12 1  11 o 19.41770 0.5474754 90.50000   5.100000 -0.9962177E-01 0.8456919 
1 1 1 12 1  12 o 9.349440 1.234088  21.40000   5.400000 -3.050714      1.748207  
1 1 1 12 1  13 o 27.73190 0.5411842 184.6000   7.200000 0.3926125      0.7979923 
1 1 1 12 1  14 x ?        ?         ?          ?        1.472941       1.410346  
1 1 1 12 2  0  o 23.15440 0.3693104 128.7000   4.100000 -0.000000      0.000000  
1 1 1 12 2  1  o 180.0220 0.8637846 7774.300   74.60000 4.321609       1.592044  
1 1 1 12 2  2  o 79.56333 0.5423124 1518.500   20.70000 -8.342442      0.9212937 
1 1 1 12 2  3  o 218.0824 1.005512  11409.20   105.2000 -6.512421      1.906058  
1 1 1 12 2  4  o 46.82758 0.3071422 526.0000   6.900000 -1.091934      0.6258332 
1 1 1 12 2  5  o 63.02397 0.3605063 952.8000   10.90000 0.8978920      0.7287261 
1 1 1 12 2  6  o 146.7101 0.6393590 5164.000   45.00000 -2.300514      1.203874  
1 1 1 12 2  7  o 13.81725 0.3620611 45.80000   2.400000 -1.032808      0.5823377 
1 1 1 12 2  8  o 85.54179 0.4800430 1755.600   19.70000 -1.702141      1.023437  
1 1 1 12 2  9  o 38.97845 0.3529487 364.5000   6.600000 -2.073414      0.6568193 
1 1 1 12 2  10 f 48.06953 0.3859333 554.4000   8.900000 -1.790607      0.7244159 
1 1 1 12 2  11 o 16.51691 0.6562459 65.50000   5.200000 -0.9736843     0.9867737 
1 1 1 12 2  12 o 32.90873 0.4623851 259.9000   7.300000 0.7320786      0.7285523 
1 1 1 12 2  13 o 8.879169 1.459254  19.50000   6.000000 -0.1822858     2.084597  
1 1 1 12 2  14 x ?        ?         ?          ?        -0.8232536     0.9105623 
1 1 1 12 3  0  o 142.0223 1.061276  4839.300   72.30000 -0.000000      0.000000  
1 1 1 12 3  1  o 16.01197 0.4295970 61.50000   3.300000 -8.225674      0.5403142 
1 1 1 12 3  2  o 16.91101 0.4314104 68.60000   3.500000 -9.467988      0.5670225 
1 1 1 12 3  3  o 72.24833 0.3837214 1252.100   13.30000 2.209045       0.7583541 
1 1 1 12 3  4  o 153.1870 0.7810559 5629.300   57.40000 5.389435       1.393613  
1 1 1 12 3  5  o 83.63399 0.4461309 1677.900   17.90000 -8.402664      0.8231071 
1 1 1 12 3  6  o 32.30192 0.3097456 250.3000   4.800000 4.203125       0.5405925 
1 1 1 12 3  7  o 76.02565 0.4880362 1386.700   17.80000 -6.489449      0.8399234 
1 1 1 12 3  8  o 93.96106 0.5213293 2118.300   23.50000 -2.023994      1.029853  
1 1 1 12 3  9  o 41.19670 0.4199599 407.2000   8.300000 3.058769       0.7442941 
1 1 1 12 3  10 o 22.75965 0.4670859 124.3000   5.100000 -0.9532394     0.7905180 
1 1 1 12 3  11 o 5.788195 1.714744  8.200000   5.100000 4.959916       1.670131  
1 1 1 12 3  12 o 30.02868 0.4581418 216.4000   6.600000 0.1202793      0.7447118 
1 1 1 12 3  13 o 22.55890 0.6468034 122.2000   7.000000 -0.1805754     0.9645251 
1 1 1 12 3  14 x ?        ?         ?          ?        -1.582424      2.151030  
1 1 1 12 4  0  o 91.45255 0.6382664 2006.500   28.00000 0.000000       0.000000  
1 1 1 12 4  1  o 95.43136 0.5504293 2184.600   25.20000 -5.099327      1.146584  
1 1 1 12 4  2  o 60.79225 0.3428814 886.5000   10.00000 2.160629       0.7143947 
1 1 1 12 4  3  o 120.9627 0.5858950 3509.900   34.00000 2.770561       1.157472  
1 1 1 12 4  4  o 61.36837 0.4449579 903.4000   13.10000 8.693405       0.6333471 
1 1 1 12 4  5  o 103.7804 0.4920881 2583.700   24.50000 -2.955620      0.9582171 
1 1 1 12 4  6  o 81.12389 0.4496571 1578.800   17.50000 1.618187       0.8422676 
1 1 1 12 4  7  o 115.3661 0.5998628 3193.500   33.20000 -4.554443      1.111285  
1 1 1 12 4  8  o 8.594595 0.5608958 17.80000   2.300000 5.730326       0.9908891 
1 1 1 12 4  9  o 24.63504 0.3469147 145.6000   4.100000 -3.121002      0.7268331 
1 1 1 12 4  10 o 9.077662 1.101817  20.10000   4.700000 3.536598       1.825153  
1 1 1 12 4  11 o 58.22547 0.4474960 813.6000   12.50000 3.415199       0.8192599 
1 1 1 12 4  12 o 39.48317 0.4276271 374.1000   8.100000 0.4734802      0.7321725 
1 1 1 12 4  13 x ?        ?         ?          ?        -1.718637      0.9315323 
1 1 1 12 4  14 x ?        ?         ?          ?        -2.309938      0.9267383 
1 1 1 12 5  0  o 376.0563 2.596586  33934.80   468.4000 0.000000       0.000000  
1 1 1 12 5  1  o 164.5546 0.7347003 6495.600   58.00000 -0.9361267E-01 1.393160  
1 1 1 12 5  2  o 110.0198 0.6555374 2903.600   34.60000 10.16634       1.377035  
1 1 1 12 5  3  o 114.9779 0.5873850 3171.200   32.40000 -0.8902283     1.088116  
1 1 1 12 5  4  o 6.045826 0.7394407 8.900000   2.100000 1.050722       1.167898  
1 1 1 12 5  5  o 51.10857 0.3752202 626.6000   9.200000 4.957241       0.6601589 
1 1 1 12 5  6  o 14.53762 0.3727967 50.70000   2.600000 4.377755       0.6657160 
1 1 1 12 5  7  o 96.77928 0.5018404 2247.200   23.30000 0.8544464      0.9682734 
1 1 1 12 5  8  o 87.84506 0.4722021 1851.800   19.90000 -2.993462      0.9847996 
1 1 1 12 5  9  o 55.13363 0.3705114 729.3000   9.800000 -1.719398      0.7180636 
1 1 1 12 5  10 o 33.46593 0.3114292 268.7000   5.000000 3.828251       0.5624906 
1 1 1 12 5  11 o 60.23364 0.4879465 870.8000   14.10000 1.932102       0.9018721 
1 1 1 12 5  12 o 28.08368 0.5047160 189.3000   6.800000 -0.8894157E-01 0.7974072 
1 1 1 12 5  13 x ?        ?         ?          ?        -3.476332      1.225367  
1 1 1 12 6  0  o 49.44446 0.4849159 586.6000   11.50000 0.000000       0.000000  
1 1 1 12 6  1  o 239.5437 1.046822  13765.60   120.3000 -0.9270172     1.922758  
1 1 1 12 6  2  o 154.7319 0.7032065 5743.300   52.20000 -4.778107      1.336427  
1 1 1 12 6  3  o 103.6537 0.4987223 2577.300   24.80000 -1.780327      0.9679072 
1 1 1 12 6  4  o 43.66222 0.3103128 457.3000   6.500000 -4.444168      0.5741608 
1 1 1 12 6  5  o 54.64811 0.3432887 716.4000   9.000000 3.970535       0.6660169 
1 1 1 12 6  6  o 64.21696 0.3667929 989.3000   11.30000 -0.2106171     0.7184190 
1 1 1 12 6  7  o 32.89615 0.2914774 259.6000   4.600000 0.4283752      0.5964009 
1 1 1 12 6  8  o 34.74427 0.3059703 289.6000   5.100000 -3.627441      0.6337963 
1 1 1 12 6  9  o 18.24864 0.3769429 79.90000   3.300000 1.635023       0.6356942 
1 1 1 12 6  10 o 3.281698 1.370548  0.5000000  3.600000 -1.155725      1.697525  
1 1 1 12 6  11 o 39.24168 0.3452693 369.5000   6.500000 -2.187529      0.7652875 
1 1 1 12 6  12 o 4.282309 1.794342  0.7000000  6.200000 0.1890230E-01  2.201042  
1 1 1 12 6  13 x ?        ?         ?          ?        -1.348094      2.050341  
1 1 1 12 7  0  o 31.43405 0.3382791 237.1000   5.100000 0.000000       0.000000  
1 1 1 12 7  1  f 20.44839 0.3058119 100.3000   3.000000 -1.638361      0.4787287 
1 1 1 12 7  2  o 133.5332 0.5900578 4277.400   37.80000 2.515564       1.118285  
1 1 1 12 7  3  o 74.80972 0.4541735 1342.500   16.30000 3.753147       0.7449189 
1 1 1 12 7  4  o 94.50463 0.4587778 2142.500   20.80000 3.934402       0.9690403 
1 1 1 12 7  5  o 7.797996 0.6749202 14.70000   2.500000 -0.1526322     1.154467  
1 1 1 12 7  6  o 38.53893 0.2974782 356.3000   5.500000 -1.049311      0.5939078 
1 1 1 12 7  7  o 95.23901 0.5165225 2176.400   23.60000 -2.760277      0.9784638 
1 1 1 12 7  8  o 19.70959 0.3490024 93.20000   3.300000 -2.341558      0.6901792 
1 1 1 12 7  9  o 26.97669 0.3245285 174.6000   4.200000 4.036747       0.6022220 
1 1 1 12 7  10 o 36.45042 0.3488345 318.8000   6.100000 0.4307709      0.6021467 
1 1 1 12 7  11 o 40.29907 0.3568997 389.7000   6.900000 -3.115398      0.7230493 
1 1 1 12 7  12 o 22.94201 0.3725156 126.3000   4.100000 1.194905       0.7129770 
1 1 1 12 7  13 x ?        ?         ?          ?        -2.449199      1.122116  
1 1 1 12 8  0  o 132.2351 0.8386801 4195.100   53.20000 -0.000000      0.000000  
1 1 1 12 8  1  o 166.9322 0.7242358 6685.000   58.00000 3.607269       1.370786  
1 1 1 12 8  2  o 48.18737 0.3244294 557.0000   7.500000 4.401516       0.5755844 
1 1 1 12 8  3  o 20.15036 0.3103350 97.40000   3.000000 4.932421       0.5373315 
1 1 1 12 8  4  o 112.7701 0.5877943 3051.100   31.80000 7.248192       1.046348  
1 1 1 12 8  5  f 16.35841 0.4332414 64.20000   3.400000 -6.742241      0.5562507 
1 1 1 12 8  6  o 65.29712 0.3734943 1022.900   11.70000 1.072224       0.7515634 
1 1 1 12 8  7  o 27.13198 0.2919405 176.6000   3.800000 -0.3826256     0.5474483 
1 1 1 12 8  8  o 56.60302 0.3535280 768.7000   9.600000 0.4129601      0.6896334 
1 1 1 12 8  9  o 41.06921 0.3552825 404.7000   7.000000 0.6539154      0.6434246 
1 1 1 12 8  10 o 30.04504 0.3260747 216.6000   4.700000 0.1227798      0.5885828 
1 1 1 12 8  11 o 36.12624 0.3808143 313.2000   6.600000 -1.111099      0.6459202 
1 1 1 12 8  12 o 32.19214 0.3885023 248.7000   6.000000 -2.113796      0.6311241 
1 1 1 12 8  13 x ?        ?         ?          ?        -2.730966      1.135999  
1 1 1 12 9  0  o 170.2985 1.060076  6958.200   86.60000 0.000000       0.000000  
1 1 1 12 9  1  o 60.27853 0.3215974 871.6000   9.300000 2.330574       0.6520879 
1 1 1 12 9  2  o 51.97425 0.3368861 648.0000   8.400000 4.111645       0.6087744 
1 1 1 12 9  3  o 145.1217 0.6693385 5053.100   46.60000 3.898438       1.365557  
1 1 1 12 9  4  o 81.24949 0.4310035 1583.700   16.80000 1.236900       0.8204720 
1 1 1 12 9  5  o 28.03121 0.3123199 188.5000   4.200000 3.258278       0.5650793 
1 1 1 12 9  6  o 62.99900 0.3871189 952.2000   11.70000 -3.921463      0.7487820 
1 1 1 12 9  7  o 42.05420 0.2973953 424.3000   6.000000 -0.7717552     0.5894805 
1 1 1 12 9  8  o 14.54977 0.4297908 50.80000   3.000000 -3.424630      0.7490869 
1 1 1 12 9  9  o 41.38784 0.3223290 411.0000   6.400000 0.2605553      0.5719334 
1 1 1 12 9  10 o 10.25659 0.7157949 25.40000   3.500000 0.5041504E-01  0.9541463 
1 1 1 12 9  11 o 10.83068 0.6965436 28.30000   3.600000 1.339921       1.081691  
1 1 1 12 9  12 o 57.46167 0.3700105 792.4000   10.20000 -2.768925      0.6099068 
1 1 1 12 9  13 x ?        ?         ?          ?        -1.045465      1.062813  
1 1 1 12 10 0  o 6.925952 0.9177455 12.10000   2.900000 0.000000       0.000000  
1 1 1 12 10 1  o 45.26000 0.3408076 491.4000   7.400000 0.5921936      0.6552269 
1 1 1 12 10 2  o 78.49696 0.4062849 1478.200   15.30000 -0.1925888     0.8129160 
1 1 1 12 10 3  o 62.21556 0.4355485 928.6000   13.00000 0.3868675      0.8251323 
1 1 1 12 10 4  o 99.22766 0.4957599 2362.500   23.60000 -2.122963      1.064936  
1 1 1 12 10 5  o 121.1143 0.5817191 3520.200   33.80000 -2.113533      1.091948  
1 1 1 12 10 6  o 88.51456 0.4333066 1879.900   18.40000 0.3840256      0.8337529 
1 1 1 12 10 7  o 45.81103 0.3003074 503.5000   6.600000 1.155102       0.5982761 
1 1 1 12 10 8  o 10.32337 0.6699433 25.70000   3.300000 0.5015039      0.9764747 
1 1 1 12 10 9  o 28.60555 0.3351967 196.4000   4.600000 -0.8112640     0.5561382 
1 1 1 12 10 10 o 12.30282 0.7146811 36.50000   4.200000 1.081149       0.9741186 
1 1 1 12 10 11 o 24.15894 0.4400322 140.1000   5.100000 2.187639       0.5902075 
1 1 1 12 10 12 x ?        ?         ?          ?        -2.623543      0.6328553 
1 1 1 12 10 13 x ?        ?         ?          ?        1.991026       1.696694  
1 1 1 12 11 0  o 28.36383 0.3970204 193.1000   5.400000 0.000000       0.000000  
1 1 1 12 11 1  o 12.04356 0.4673057 34.80000   2.700000 1.360980       0.6897215 
1 1 1 12 11 2  o 95.17396 0.4752628 2173.100   21.70000 4.784744       0.9277625 
1 1 1 12 11 3  o 66.79134 0.3901054 1070.300   12.50000 -0.3628235     0.7264291 
1 1 1 12 11 4  o 77.69081 0.4131837 1448.200   15.40000 6.968975       0.8323745 
1 1 1 12 11 5  o 48.15814 0.3159696 556.4000   7.300000 -2.351582      0.6008328 
1 1 1 12 11 6  o 67.94373 0.3558777 1107.600   11.60000 -2.336079      0.7012047 
1 1 1 12 11 7  o 75.70888 0.4102339 1375.500   14.90000 -1.808399      0.7872366 
1 1 1 12 11 8  o 24.28280 0.3691151 141.5000   4.300000 -0.6479263E-01 0.6084986 
1 1 1 12 11 9  o 8.512031 1.024601  17.70000   4.100000 0.4600816      1.458062  
1 1 1 12 11 10 o 8.609033 1.012021  18.10000   4.100000 2.896528       1.402970  
1 1 1 12 11 11 o 9.972548 1.017547  24.20000   4.800000 1.862196       1.366827  
1 1 1 12 11 12 x ?        ?         ?          ?        1.151495       0.6416004 
1 1 1 12 12 0  o 114.4697 1.182090  3145.000   64.90000 0.000000       0.000000  
1 1 1 12 12 1  o 63.90212 0.5056731 979.8000   15.50000 0.000000       0.000000  
1 1 1 12 12 2  o 77.15844 0.5592815 1428.500   20.70000 -0.000000      0.000000  
1 1 1 12 12 3  o 20.82645 0.4508677 104.2000   4.500000 -0.000000      0.000000  
1 1 1 12 12 4  o 147.1898 0.9475043 5200.400   66.90000 -0.000000      0.000000  
1 1 1 12 12 5  o 5.781111 1.773438  10.00000   4.300000 0.000000       0.000000  
1 1 1 12 12 6  o 2.436285 1.599463  -0.8000000 4.700000 -0.000000      0.000000  
1 1 1 12 12 7  o 2.323857 1.569138  -2.400000  5.100000 0.000000       0.000000  
1 1 1 12 12 8  f 16.98415 0.6774601 69.60000   5.500000 -0.000000      0.000000  
1 1 1 12 12 9  o 9.878883 1.283653  24.70000   5.800000 -0.000000      0.000000  
1 1 1 12 12 10 o 24.48712 0.6907514 144.5000   8.100000 -0.000000      0.000000  
1 1 1 12 12 11 o 32.06298 0.5659952 247.3000   8.700000 -0.000000      0.000000  
1 1 1 12 12 12 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 13 0  1  o 84.54614 0.7076994 1715.000   28.70000 0.000000       0.000000  
1 1 1 13 0  2  o 6.313512 1.176337  10.50000   3.200000 -0.000000      0.000000  
1 1 1 13 0  3  o 53.39061 0.4217081 683.9000   10.80000 -0.000000      0.000000  
1 1 1 13 0  4  o 83.43705 0.7446074 1670.400   29.80000 -0.000000      0.000000  
1 1 1 13 0  5  o 139.9708 0.9427633 4701.000   63.30000 -0.000000      0.000000  
1 1 1 13 0  6  o 61.48045 0.4543739 906.9000   13.40000 -0.000000      0.000000  
1 1 1 13 0  7  o 75.47894 0.5330554 1367.000   19.30000 -0.000000      0.000000  
1 1 1 13 0  8  o 15.48332 0.3504322 57.60000   2.600000 0.000000       0.000000  
1 1 1 13 0  9  o 49.83123 0.5313804 596.1000   12.70000 0.000000       0.000000  
1 1 1 13 0  10 o 25.52260 0.6379333 156.7000   7.800000 0.000000       0.000000  
1 1 1 13 0  11 o 19.94313 0.7972455 96.10000   7.600000 -0.000000      0.000000  
1 1 1 13 0  12 o 37.26394 0.6549256 334.1000   11.70000 0.000000       0.000000  
1 1 1 13 0  13 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 13 1  0  o 253.8111 1.647607  15455.90   200.6000 -0.000000      0.000000  
1 1 1 13 1  1  o 104.6589 0.5636409 2627.500   28.30000 7.503052       1.035512  
1 1 1 13 1  2  o 67.71170 0.4525283 1099.800   14.70000 7.879467       0.7387481 
1 1 1 13 1  3  o 49.39666 0.3291465 585.3000   7.800000 4.218681       0.6187117 
1 1 1 13 1  4  o 59.19009 0.3415977 840.4000   9.700000 -0.7973709     0.6852834 
1 1 1 13 1  5  o 93.75859 0.4424194 2108.800   19.90000 0.9800949      0.8818499 
1 1 1 13 1  6  o 10.60873 0.4322665 27.00000   2.200000 -1.583677      0.7867957 
1 1 1 13 1  7  o 70.17822 0.3593976 1181.500   12.10000 1.281654       0.7350720 
1 1 1 13 1  8  o 31.51707 0.2579354 238.3000   3.900000 0.5565357      0.4886989 
1 1 1 13 1  9  o 37.95314 0.3789601 345.6000   6.900000 -3.060312      0.6841270 
1 1 1 13 1  10 o 9.969133 0.9524996 24.10000   4.500000 -2.802121      1.753545  
1 1 1 13 1  11 o 22.62708 0.5343079 122.9000   5.800000 0.9708977      0.8131543 
1 1 1 13 1  12 o 27.24017 0.5050406 178.1000   6.600000 -0.9908104E-01 0.8315670 
1 1 1 13 1  13 x ?        ?         ?          ?        1.069499       1.031044  
1 1 1 13 2  0  o 44.57378 0.4022452 476.7000   8.600000 0.000000       0.000000  
1 1 1 13 2  1  o 57.02747 0.3253105 780.1000   8.900000 1.547321       0.6870354 
1 1 1 13 2  2  o 92.33630 0.5485622 2045.200   24.30000 5.633186       1.064252  
1 1 1 13 2  3  o 87.80219 0.5816382 1849.300   24.50000 8.792007       0.9610357 
1 1 1 13 2  4  o 56.49092 0.3210205 765.5000   8.700000 -2.084209      0.6545693 
1 1 1 13 2  5  o 140.7719 0.6915014 4754.500   46.70000 -3.051949      1.348214  
1 1 1 13 2  6  o 52.20587 0.2914712 653.8000   7.300000 1.648056       0.5975156 
1 1 1 13 2  7  o 12.48582 0.3839751 37.40000   2.300000 0.3390312E-02  0.6160937 
1 1 1 13 2  8  o 65.13829 0.3392045 1018.000   10.60000 -0.9830284     0.6915603 
1 1 1 13 2  9  o 57.10418 0.4015290 782.4000   11.00000 2.953957       0.7605852 
1 1 1 13 2  10 o 26.99739 0.4323729 174.9000   5.600000 1.072781       0.7301753 
1 1 1 13 2  11 o 7.597869 1.479818  14.40000   5.200000 -0.4659114     2.008552  
1 1 1 13 2  12 f 44.08494 0.4350005 466.4000   9.200000 0.8413944      0.7404116 
1 1 1 13 2  13 x ?        ?         ?          ?        0.6742773      2.254866  
1 1 1 13 3  0  f 58.37275 0.4750053 817.5000   13.30000 -0.000000      0.000000  
1 1 1 13 3  1  o 263.1504 1.258670  16613.20   158.9000 6.381332       2.251554  
1 1 1 13 3  2  o 151.7486 0.7527453 5524.000   54.80000 5.330048       1.452387  
1 1 1 13 3  3  o 105.9725 0.5114135 2693.900   26.00000 -1.282188      1.020301  
1 1 1 13 3  4  o 68.86798 0.3662353 1137.700   12.10000 3.221073       0.7520920 
1 1 1 13 3  5  o 83.57475 0.4364707 1675.600   17.50000 -2.458862      0.8287860 
1 1 1 13 3  6  o 91.32446 0.4473641 2000.900   19.60000 -0.2933273     0.8784940 
1 1 1 13 3  7  o 16.91016 0.3451456 68.60000   2.800000 -4.552661      0.6060092 
1 1 1 13 3  8  o 20.71998 0.3018033 103.0000   3.000000 -0.3558235     0.6780547 
1 1 1 13 3  9  o 29.96336 0.3408770 215.4000   4.900000 -2.875635      0.7228083 
1 1 1 13 3  10 o 12.72409 0.7736232 39.10000   4.700000 -1.173492      1.087239  
1 1 1 13 3  11 o 45.32490 0.4093034 493.0000   8.900000 -0.2495766     0.7338154 
1 1 1 13 3  12 o 5.064771 1.770551  5.500000   5.300000 -0.3339214     2.104870  
1 1 1 13 3  13 x ?        ?         ?          ?        0.9933176      2.173269  
1 1 1 13 4  0  o 22.50364 0.4171465 121.6000   4.500000 0.000000       0.000000  
1 1 1 13 4  1  o 82.08823 0.4418354 1616.400   17.40000 -2.085251      0.9020808 
1 1 1 13 4  2  o 62.02426 0.3495134 922.8000   10.40000 0.7510757      0.7037949 
1 1 1 13 4  3  o 80.04375 0.4062462 1536.900   15.60000 2.481621       0.8353924 
1 1 1 13 4  4  o 125.5565 0.6092828 3781.900   36.70000 -1.699142      1.184355  
1 1 1 13 4  5  o 90.88908 0.4678543 1981.800   20.40000 -1.200531      0.9307551 
1 1 1 13 4  6  o 49.30198 0.3001830 583.1000   7.100000 1.108624       0.6145480 
1 1 1 13 4  7  o 17.70491 0.3414259 75.20000   2.900000 -3.282435      0.5683355 
1 1 1 13 4  8  o 15.44062 0.3779944 57.20000   2.800000 0.4669933      0.6324168 
1 1 1 13 4  9  o 36.94016 0.3611381 327.4000   6.400000 -0.8625050     0.6804516 
1 1 1 13 4  10 o 33.12146 0.4153618 263.4000   6.600000 -0.9052105     0.7234725 
1 1 1 13 4  11 o 20.22418 0.5668706 98.20000   5.500000 -0.5013084     0.8559473 
1 1 1 13 4  12 o 31.18876 0.5279846 233.5000   7.900000 -0.6690750     0.7617446 
1 1 1 13 4  13 x ?        ?         ?          ?        0.3334107      2.179413  
1 1 1 13 5  0  o 75.41229 0.5667077 1364.400   20.50000 -0.000000      0.000000  
1 1 1 13 5  1  o 65.77550 0.3739470 1037.800   11.80000 3.113857       0.7604507 
1 1 1 13 5  2  o 33.37531 0.3435022 267.2000   5.500000 6.210241       0.5386944 
1 1 1 13 5  3  o 70.32660 0.3704952 1186.400   12.50000 0.2329826      0.7771727 
1 1 1 13 5  4  o 48.71568 0.3765356 569.3000   8.800000 7.851437       0.6405079 
1 1 1 13 5  5  o 45.22792 0.2949616 490.7000   6.400000 -0.7281685     0.5895413 
1 1 1 13 5  6  o 43.24773 0.3422056 448.7000   7.100000 -3.413639      0.6035234 
1 1 1 13 5  7  o 25.65531 0.3168689 157.9000   3.900000 -0.9661713     0.6168601 
1 1 1 13 5  8  o 3.306603 1.188003  2.200000   2.400000 1.368158       1.584032  
1 1 1 13 5  9  o 32.66454 0.3573581 256.0000   5.600000 -2.762558      0.7060258 
1 1 1 13 5  10 o 24.78486 0.3616381 147.4000   4.300000 2.613432       0.6122743 
1 1 1 13 5  11 o 23.30618 0.5276828 130.4000   5.900000 1.004396       0.8788030 
1 1 1 13 5  12 o 14.71861 0.9395961 52.30000   6.600000 -0.3671265     1.363585  
1 1 1 13 5  13 x ?        ?         ?          ?        3.236188       1.842360  
1 1 1 13 6  0  o 123.3948 0.7754369 3652.900   45.90000 0.000000       0.000000  
1 1 1 13 6  1  o 74.23932 0.4913559 1322.100   17.50000 -10.04103      0.7932895 
1 1 1 13 6  2  o 51.82232 0.3137400 644.2000   7.800000 -2.208290      0.6291919 
1 1 1 13 6  3  o 51.84194 0.3457875 644.7000   8.600000 -5.820465      0.6131354 
1 1 1 13 6  4  o 65.57971 0.3845989 1031.700   12.10000 -2.370159      0.7681464 
1 1 1 13 6  5  o 55.40553 0.4853206 736.5000   12.90000 8.844090       0.7113482 
1 1 1 13 6  6  o 64.27039 0.3956772 991.0000   12.20000 1.845970       0.7552639 
1 1 1 13 6  7  o 41.07246 0.3095789 404.7000   6.100000 3.947958       0.5996941 
1 1 1 13 6  8  o 37.13261 0.3143581 330.8000   5.600000 0.8927841      0.6068259 
1 1 1 13 6  9  o 53.60748 0.3343992 689.5000   8.600000 -0.7654953     0.6676630 
1 1 1 13 6  10 o 32.51537 0.3654082 253.7000   5.700000 -0.7953262E-01 0.6403498 
1 1 1 13 6  11 o 7.609373 0.8645366 14.10000   3.100000 -1.314821      1.596401  
1 1 1 13 6  12 o 10.89079 1.308549  29.00000   6.700000 4.411121       1.912463  
1 1 1 13 6  13 x ?        ?         ?          ?        -1.166716      1.046661  
1 1 1 13 7  0  o 38.55040 0.4002216 356.6000   7.400000 -0.000000      0.000000  
1 1 1 13 7  1  o 96.53320 0.4685707 2235.400   21.70000 -5.105721      0.9260013 
1 1 1 13 7  2  o 46.19084 0.2752746 511.8000   6.100000 -0.6809425     0.5646102 
1 1 1 13 7  3  o 66.50807 0.3729621 1061.100   11.90000 5.189529       0.7354518 
1 1 1 13 7  4  o 78.92276 0.4516334 1494.300   17.10000 -3.304558      0.9647799 
1 1 1 13 7  5  o 13.87693 0.4055669 46.20000   2.700000 1.411960       0.6593938 
1 1 1 13 7  6  o 67.06942 0.3791643 1079.200   12.20000 -0.1727448     0.7498844 
1 1 1 13 7  7  o 34.83382 0.3051836 291.1000   5.100000 -1.257275      0.6005539 
1 1 1 13 7  8  o 28.74194 0.3263538 198.2000   4.500000 -0.8882313     0.6353283 
1 1 1 13 7  9  o 36.46849 0.3257986 319.1000   5.700000 0.8021164      0.6319732 
1 1 1 13 7  10 o 24.14182 0.4662468 139.9000   5.400000 -1.119244      0.6698418 
1 1 1 13 7  11 o 30.36710 0.3706659 221.3000   5.400000 1.657801       0.6002468 
1 1 1 13 7  12 o 29.79712 0.5666344 213.2000   8.100000 -1.033232      0.8408933 
1 1 1 13 7  13 x ?        ?         ?          ?        -1.001557      2.054870  
1 1 1 13 8  0  o 4.073736 1.693591  5.600000   3.300000 -0.000000      0.000000  
1 1 1 13 8  1  o 57.41615 0.3412604 790.8000   9.400000 2.751106       0.6554241 
1 1 1 13 8  2  o 41.76321 0.3443875 418.4000   6.900000 -5.162479      0.5974297 
1 1 1 13 8  3  o 40.05656 0.2705963 384.9000   5.200000 2.051437       0.5474343 
1 1 1 13 8  4  o 60.39683 0.3485776 875.1000   10.10000 -2.837852      0.7138681 
1 1 1 13 8  5  o 37.45757 0.3227606 336.6000   5.800000 -2.882765      0.5972885 
1 1 1 13 8  6  o 54.13537 0.3580915 703.1000   9.300000 -0.5642204     0.7078567 
1 1 1 13 8  7  o 9.548586 0.6811979 22.00000   3.100000 1.274326       1.100725  
1 1 1 13 8  8  o 21.99658 0.3790504 116.1000   4.000000 0.8981190      0.6647595 
1 1 1 13 8  9  o 6.194408 1.319147  9.600000   3.800000 3.265386       1.767466  
1 1 1 13 8  10 o 24.71535 0.3795227 146.6000   4.500000 2.034878       0.5935051 
1 1 1 13 8  11 o 29.37347 0.4399756 207.1000   6.200000 -0.5377693     0.6484748 
1 1 1 13 8  12 o 5.509252 1.670737  7.400000   4.800000 0.9718206      1.798232  
1 1 1 13 8  13 x ?        ?         ?          ?        -1.395360      1.486144  
1 1 1 13 9  0  o 28.11388 0.3782846 189.7000   5.100000 -0.000000      0.000000  
1 1 1 13 9  1  o 79.61185 0.4293963 1520.500   16.40000 2.485863       0.8559598 
1 1 1 13 9  2  o 108.3455 0.5232993 2816.400   27.20000 6.097252       1.054161  
1 1 1 13 9  3  o 35.23935 0.2957565 297.9000   5.000000 1.082445       0.5698844 
1 1 1 13 9  4  o 60.85575 0.3665003 888.5000   10.70000 0.6523323      0.6986213 
1 1 1 13 9  5  o 34.48555 0.2840879 285.3000   4.700000 0.5996857      0.5670549 
1 1 1 13 9  6  o 5.175921 1.192438  6.700000   2.900000 -0.3018160     1.709853  
1 1 1 13 9  7  o 40.30732 0.3154555 389.8000   6.100000 1.442106       0.6060680 
1 1 1 13 9  8  o 40.48154 0.3243962 393.2000   6.300000 -2.932072      0.5944562 
1 1 1 13 9  9  o 51.07579 0.3509745 626.2000   8.600000 -0.7588692     0.6392691 
1 1 1 13 9  10 o 23.52156 0.4076467 132.8000   4.600000 2.382158       0.6191301 
1 1 1 13 9  11 o 56.19753 0.3523697 757.9000   9.500000 -1.911709      0.6259636 
1 1 1 13 9  12 x ?        ?         ?          ?        -2.282982      0.6280646 
1 1 1 13 9  13 x ?        ?         ?          ?        1.404809       1.796624  
1 1 1 13 10 0  o 87.04672 0.6035139 1818.000   25.20000 -0.000000      0.000000  
1 1 1 13 10 1  o 75.69353 0.4240862 1374.500   15.40000 2.492733       0.8066429 
1 1 1 13 10 2  o 90.53530 0.4581707 1966.600   19.90000 -0.6448898     0.8958188 
1 1 1 13 10 3  o 59.63005 0.3880163 853.1000   11.10000 3.273251       0.7422858 
1 1 1 13 10 4  o 56.31602 0.3590310 760.9000   9.700000 2.298847       0.7469268 
1 1 1 13 10 5  o 22.62392 0.3408992 122.8000   3.700000 2.243662       0.6009574 
1 1 1 13 10 6  o 84.71163 0.4404556 1722.000   17.90000 -1.460968      0.8789333 
1 1 1 13 10 7  o 22.90606 0.3549002 125.9000   3.900000 0.7348919      0.6075159 
1 1 1 13 10 8  o 33.11272 0.3336362 263.1000   5.300000 -0.5110683     0.5812520 
1 1 1 13 10 9  o 17.30418 0.5059299 71.90000   4.200000 -1.305570      0.7571939 
1 1 1 13 10 10 o 5.246924 1.601491  6.700000   4.400000 2.019506       1.788190  
1 1 1 13 10 11 o 38.04124 0.3506852 347.3000   6.400000 0.7536106      0.5487874 
1 1 1 13 10 12 x ?        ?         ?          ?        -1.817941      1.623587  
1 1 1 13 11 0  o 29.32455 0.3982257 206.4000   5.600000 0.000000       0.000000  
1 1 1 13 11 1  o 18.00807 0.3241030 77.80000   2.800000 -2.295154      0.5861502 
1 1 1 13 11 2  o 19.96172 0.3445943 95.60000   3.300000 0.8578968      0.6306670 
1 1 1 13 11 3  o 47.30573 0.3436949 536.9000   7.800000 3.068607       0.6741616 
1 1 1 13 11 4  o 121.0010 0.6856242 3515.000   39.80000 7.393730       1.189706  
1 1 1 13 11 5  o 46.38040 0.3056093 516.1000   6.800000 -4.110016      0.5995327 
1 1 1 13 11 6  o 31.36259 0.3057300 236.0000   4.600000 0.5939369      0.5465850 
1 1 1 13 11 7  o 29.34899 0.3551150 206.7000   5.000000 -4.017532      0.5716345 
1 1 1 13 11 8  o 18.33355 0.4888934 80.70000   4.300000 1.583179       0.7683383 
1 1 1 13 11 9  o 18.27199 0.5475799 80.20000   4.800000 0.4998217      0.7615407 
1 1 1 13 11 10 o 28.31612 0.4269592 192.5000   5.800000 1.641796       0.5682843 
1 1 1 13 11 11 o 34.07368 0.3915192 278.7000   6.400000 1.661081       0.5619417 
1 1 1 13 11 12 x ?        ?         ?          ?        -0.5878181     0.6640908 
1 1 1 13 12 0  o 33.85488 0.4434772 275.1000   7.200000 0.000000       0.000000  
1 1 1 13 12 1  o 35.23169 0.3076536 297.8000   5.200000 -2.409407      0.5788335 
1 1 1 13 12 2  o 7.539610 0.7856472 13.80000   2.800000 -0.3217759     1.333251  
1 1 1 13 12 3  o 67.73901 0.3846478 1101.000   12.50000 -2.348507      0.7713439 
1 1 1 13 12 4  o 69.32932 0.4088972 1153.400   13.60000 4.419765       0.7952557 
1 1 1 13 12 5  o 15.47777 0.4713591 57.50000   3.500000 2.831247       0.7747009 
1 1 1 13 12 6  o 19.50213 0.4702868 91.30000   4.400000 0.5542564E-01  0.7374352 
1 1 1 13 12 7  o 22.27555 0.4023762 119.1000   4.300000 -0.9061451     0.6122572 
1 1 1 13 12 8  o 16.97217 0.5526718 69.20000   4.500000 -0.5378695     0.7859604 
1 1 1 13 12 9  o 16.92052 0.5666780 68.80000   4.600000 0.4667616      0.7909778 
1 1 1 13 12 10 f 32.33393 0.4061386 251.0000   6.300000 2.092043       0.6004511 
1 1 1 13 12 11 o 35.54071 0.4105482 303.3000   7.000000 0.9179573      0.5900967 
1 1 1 13 12 12 x ?        ?         ?          ?        0.5381327      0.8920352 
1 1 1 13 13 0  o 15.76592 1.028064  60.40000   7.700000 0.000000       0.000000  
1 1 1 13 13 1  o 24.72881 0.5146874 146.9000   6.100000 0.000000       0.000000  
1 1 1 13 13 2  o 49.72771 0.4569858 593.4000   10.90000 -0.000000      0.000000  
1 1 1 13 13 3  o 53.79694 0.4727918 694.5000   12.20000 -0.000000      0.000000  
1 1 1 13 13 4  f 74.38573 0.5521061 1327.900   19.70000 -0.000000      0.000000  
1 1 1 13 13 5  o 104.2267 0.7680640 2608.300   38.40000 -0.000000      0.000000  
1 1 1 13 13 6  o 6.694053 2.033291  13.40000   5.700000 0.000000       0.000000  
1 1 1 13 13 7  o 34.65147 0.5175917 288.4000   8.600000 -0.000000      0.000000  
1 1 1 13 13 8  o 29.64198 0.6053302 211.3000   8.600000 0.000000       0.000000  
1 1 1 13 13 9  o 24.43119 0.7266693 143.9000   8.500000 -0.000000      0.000000  
1 1 1 13 13 10 o 3.614200 2.291590  1.400000   8.600000 0.000000       0.000000  
1 1 1 13 13 11 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 14 0  0  o 141.8514 1.374238  4828.200   93.50000 -0.000000      0.000000  
1 1 1 14 0  1  o 5.686171 1.608464  9.400000   3.800000 -0.000000      0.000000  
1 1 1 14 0  2  o 15.61434 0.5488719 58.70000   4.100000 -0.000000      0.000000  
1 1 1 14 0  3  o 137.2603 0.9431592 4520.300   62.10000 -0.000000      0.000000  
1 1 1 14 0  4  o 44.85416 0.5020370 482.8000   10.80000 0.000000       0.000000  
1 1 1 14 0  5  o 26.12265 0.3832012 163.8000   4.800000 -0.000000      0.000000  
1 1 1 14 0  6  o 14.39689 0.4935839 49.90000   3.400000 0.000000       0.000000  
1 1 1 14 0  7  o 13.30661 0.5504088 42.70000   3.500000 0.000000       0.000000  
1 1 1 14 0  8  o 91.73814 0.6317327 2020.000   27.80000 0.000000       0.000000  
1 1 1 14 0  9  o 41.16843 0.5571855 407.0000   11.00000 -0.000000      0.000000  
1 1 1 14 0  10 o 5.543087 2.476278  10.80000   7.000000 -0.000000      0.000000  
1 1 1 14 0  11 o 3.459306 2.164711  1.800000   7.400000 0.000000       0.000000  
1 1 1 14 0  12 o 26.10728 0.7920845 164.5000   9.900000 -0.000000      0.000000  
1 1 1 14 0  13 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 14 1  0  o 78.77129 0.6378304 1488.700   24.10000 0.000000       0.000000  
1 1 1 14 1  1  o 98.17175 0.5478042 2311.900   25.80000 -0.8820801     1.039887  
1 1 1 14 1  2  o 188.8200 0.8864611 8553.300   80.30000 7.315964       1.702437  
1 1 1 14 1  3  o 108.3039 0.6197323 2813.900   32.20000 -2.691566      1.058646  
1 1 1 14 1  4  o 41.43792 0.3018183 411.9000   6.000000 0.6304169      0.6536946 
1 1 1 14 1  5  f 61.58726 0.3283016 909.9000   9.700000 -2.580227      0.6666638 
1 1 1 14 1  6  o 10.32948 0.4843119 25.60000   2.400000 -5.490173      0.8164515 
1 1 1 14 1  7  o 10.38989 0.4413711 25.90000   2.200000 2.319324       0.7651055 
1 1 1 14 1  8  o 13.32409 0.4693274 42.60000   3.000000 4.984922       0.5997772 
1 1 1 14 1  9  o 27.83369 0.4268706 185.9000   5.700000 -2.842915      0.7113129 
1 1 1 14 1  10 o 24.47706 0.4768930 143.8000   5.600000 1.056864       0.7566308 
1 1 1 14 1  11 o 13.46958 0.8712823 43.80000   5.600000 -0.3690386     1.220587  
1 1 1 14 1  12 f 29.44326 0.5168079 208.1000   7.300000 -1.469999      0.8099693 
1 1 1 14 1  13 x ?        ?         ?          ?        -0.5952253     0.9090911 
1 1 1 14 2  0  o 83.20370 0.6188715 1660.900   24.70000 -0.000000      0.000000  
1 1 1 14 2  1  o 148.5326 0.6904551 5292.400   49.20000 2.395653       1.339285  
1 1 1 14 2  2  o 124.4409 0.6164203 3714.800   36.80000 2.248260       1.207103  
1 1 1 14 2  3  o 125.2626 0.6456577 3764.200   38.80000 -2.798042      1.214070  
1 1 1 14 2  4  o 63.96608 0.5148723 981.6000   15.80000 6.421692       0.7965216 
1 1 1 14 2  5  o 73.59571 0.4220131 1299.400   14.90000 -4.668999      0.8009289 
1 1 1 14 2  6  o 7.304355 0.6341088 12.90000   2.200000 1.532316       1.160186  
1 1 1 14 2  7  o 48.31071 0.2933984 559.9000   6.800000 -0.4186707     0.5883449 
1 1 1 14 2  8  o 44.88740 0.3297054 483.4000   7.100000 3.608730       0.6231711 
1 1 1 14 2  9  o 22.61403 0.3502658 122.7000   3.800000 3.999866       0.6135444 
1 1 1 14 2  10 o 54.34757 0.4564140 708.9000   11.90000 -0.1462326     0.8170079 
1 1 1 14 2  11 f 28.19343 0.4805711 190.8000   6.500000 2.528233       0.7474036 
1 1 1 14 2  12 o 32.13796 0.4605027 247.9000   7.100000 -3.101332      0.6915717 
1 1 1 14 2  13 x ?        ?         ?          ?        -1.306614      0.9357685 
1 1 1 14 3  0  o 45.70988 0.3922406 501.3000   8.600000 -0.000000      0.000000  
1 1 1 14 3  1  o 136.0362 0.7017837 4439.400   45.80000 3.748199       1.427193  
1 1 1 14 3  2  o 63.65570 0.3831252 972.0000   11.70000 -1.552422      0.7748358 
1 1 1 14 3  3  o 61.17736 0.3747953 897.8000   11.00000 4.855194       0.7696088 
1 1 1 14 3  4  o 60.15634 0.3430409 868.1000   9.900000 0.4097099      0.7166640 
1 1 1 14 3  5  o 86.08465 0.4552231 1777.900   18.80000 0.9404984      0.8760735 
1 1 1 14 3  6  o 116.4797 0.5690745 3255.600   31.80000 -1.354691      1.097614  
1 1 1 14 3  7  o 28.91707 0.2811270 200.6000   3.900000 -0.2180519     0.5470555 
1 1 1 14 3  8  o 24.08709 0.3461528 139.2000   4.000000 -1.448652      0.5307453 
1 1 1 14 3  9  o 48.02071 0.3646220 553.3000   8.400000 -1.415329      0.7422571 
1 1 1 14 3  10 o 5.834380 1.689316  8.400000   5.000000 0.6889515      2.161100  
1 1 1 14 3  11 o 14.77262 0.7930740 52.60000   5.600000 -0.5979404     1.106335  
1 1 1 14 3  12 o 29.58184 0.5566651 210.1000   7.900000 0.2434616      0.8681331 
1 1 1 14 3  13 x ?        ?         ?          ?        -1.054978      2.211552  
1 1 1 14 4  0  o 52.11754 0.4480212 651.7000   11.20000 0.000000       0.000000  
1 1 1 14 4  1  o 116.3965 0.6482775 3250.100   36.20000 2.966385       1.172182  
1 1 1 14 4  2  o 98.36984 0.5000831 2321.300   23.60000 1.081192       1.003632  
1 1 1 14 4  3  o 61.61760 0.4465410 910.8000   13.20000 -0.9506416     0.9004806 
1 1 1 14 4  4  o 22.90013 0.3003781 125.8000   3.300000 1.221460       0.5526829 
1 1 1 14 4  5  o 36.22519 0.2877077 314.8000   5.000000 -1.596649      0.5842511 
1 1 1 14 4  6  o 32.79447 0.2860250 258.0000   4.500000 -0.2308655     0.5658203 
1 1 1 14 4  7  o 33.85679 0.3201472 275.0000   5.200000 4.174091       0.5940176 
1 1 1 14 4  8  o 9.487710 0.6185442 21.70000   2.800000 -0.4778957     1.018428  
1 1 1 14 4  9  o 15.74473 0.5163230 59.50000   3.900000 2.184567       0.8557132 
1 1 1 14 4  10 o 20.25472 0.5557246 98.50000   5.400000 1.447366       0.9047851 
1 1 1 14 4  11 o 18.75728 0.6223151 84.50000   5.600000 -1.019312      0.9830589 
1 1 1 14 4  12 o 21.15159 0.7391121 107.5000   7.500000 -0.4341297     0.9679405 
1 1 1 14 4  13 x ?        ?         ?          ?        -0.1662741     1.188766  
1 1 1 14 5  0  o 61.29805 0.4965495 901.5000   14.60000 -0.000000      0.000000  
1 1 1 14 5  1  o 67.06756 0.3916068 1079.000   12.60000 -6.248623      0.7809646 
1 1 1 14 5  2  o 15.08681 0.3592263 54.60000   2.600000 4.549226       0.6365531 
1 1 1 14 5  3  o 68.30731 0.3875508 1119.300   12.70000 3.986599       0.7926394 
1 1 1 14 5  4  o 29.06887 0.2653174 202.7000   3.700000 1.173464       0.5337289 
1 1 1 14 5  5  o 42.15924 0.3312639 426.4000   6.700000 -2.366901      0.6309028 
1 1 1 14 5  6  o 38.45213 0.2818871 354.7000   5.200000 -2.504383      0.5725383 
1 1 1 14 5  7  o 36.10228 0.3117822 312.7000   5.400000 -1.327805      0.6190046 
1 1 1 14 5  8  o 11.45874 0.5840480 31.60000   3.200000 -0.1978960     0.9279753 
1 1 1 14 5  9  o 37.02411 0.3265394 328.9000   5.800000 3.602711       0.5664846 
1 1 1 14 5  10 o 23.65443 0.4406052 134.3000   5.000000 -0.1285496     0.7950296 
1 1 1 14 5  11 o 12.91032 0.9264616 40.30000   5.700000 0.4362612      1.354015  
1 1 1 14 5  12 o 9.948862 1.446103  24.40000   6.700000 -2.304438      1.772607  
1 1 1 14 5  13 x ?        ?         ?          ?        2.908058       2.046480  
1 1 1 14 6  0  o 49.69835 0.4152921 592.6000   9.900000 -0.000000      0.000000  
1 1 1 14 6  1  o 66.56497 0.3663804 1062.900   11.70000 -0.3987122     0.7720508 
1 1 1 14 6  2  f 25.52595 0.2858106 156.3000   3.500000 -2.446762      0.5375131 
1 1 1 14 6  3  o 75.49229 0.4031275 1367.200   14.60000 -1.208691      0.8360005 
1 1 1 14 6  4  o 73.10973 0.4789898 1282.400   16.80000 -5.164486      0.9885405 
1 1 1 14 6  5  o 41.29884 0.3886378 409.2000   7.700000 7.006472       0.6894743 
1 1 1 14 6  6  o 22.32775 0.3267498 119.6000   3.500000 -0.3967667E-01 0.5891810 
1 1 1 14 6  7  f 83.06936 0.4717470 1655.900   18.80000 -1.913536      1.060570  
1 1 1 14 6  8  o 25.23539 0.3551817 152.8000   4.300000 -2.143208      0.6202108 
1 1 1 14 6  9  o 54.54832 0.3592019 714.0000   9.400000 0.1077652E-01  0.7085142 
1 1 1 14 6  10 o 22.57047 0.4894715 122.3000   5.300000 2.120893       0.7401945 
1 1 1 14 6  11 o 30.46320 0.3558115 222.7000   5.200000 -1.546215      0.7756625 
1 1 1 14 6  12 o 14.97982 1.036080  54.30000   7.400000 -0.1707516     1.342885  
1 1 1 14 6  13 x ?        ?         ?          ?        -2.540571      2.387076  
1 1 1 14 7  0  o 13.52245 0.5726820 44.10000   3.700000 -0.000000      0.000000  
1 1 1 14 7  1  o 19.33734 0.2910444 89.70000   2.700000 -2.609084      0.5145844 
1 1 1 14 7  2  o 49.84038 0.3262161 595.9000   7.800000 -0.5677414     0.6443458 
1 1 1 14 7  3  o 107.5656 0.5309693 2775.900   27.40000 -0.3450928     1.039973  
1 1 1 14 7  4  o 9.130759 0.6200555 20.10000   2.700000 0.5395412      0.8655993 
1 1 1 14 7  5  o 103.2025 0.5614961 2555.900   27.80000 -2.688492      1.035450  
1 1 1 14 7  6  o 35.05988 0.3329429 294.9000   5.600000 -2.590597      0.6267944 
1 1 1 14 7  7  o 42.62412 0.3276510 435.9000   6.700000 -0.5844421     0.6643849 
1 1 1 14 7  8  o 19.70675 0.4336716 93.20000   4.100000 0.5443726      0.6946436 
1 1 1 14 7  9  o 32.52978 0.3524307 254.0000   5.500000 1.632559       0.6310344 
1 1 1 14 7  10 o 19.84799 0.5356063 94.60000   5.100000 0.7926073      0.8819241 
1 1 1 14 7  11 o 27.88918 0.4334954 186.7000   5.800000 2.604271       0.6460527 
1 1 1 14 7  12 x ?        ?         ?          ?        2.623934       2.097824  
1 1 1 14 7  13 x ?        ?         ?          ?        -2.394933      1.731163  
1 1 1 14 8  0  o 7.757688 0.8902044 15.00000   3.200000 0.000000       0.000000  
1 1 1 14 8  1  o 15.84125 0.3289597 60.20000   2.500000 1.650049       0.5936382 
1 1 1 14 8  2  o 11.42232 0.4562237 31.30000   2.500000 -1.232027      0.7542120 
1 1 1 14 8  3  o 64.26715 0.3762366 990.9000   11.60000 1.017620       0.7611521 
1 1 1 14 8  4  o 25.23704 0.3303800 152.8000   4.000000 3.867702       0.5638984 
1 1 1 14 8  5  o 75.10083 0.4357597 1353.300   15.70000 -1.182758      0.8757611 
1 1 1 14 8  6  o 31.84486 0.3207369 243.3000   4.900000 -0.8864231     0.6127841 
1 1 1 14 8  7  o 57.58427 0.3909417 795.7000   10.80000 -0.4545708     0.7448996 
1 1 1 14 8  8  o 24.26517 0.3951543 141.3000   4.600000 1.431213       0.6536933 
1 1 1 14 8  9  o 23.05597 0.4339604 127.6000   4.800000 0.4035225      0.7391890 
1 1 1 14 8  10 o 24.22002 0.3872845 140.8000   4.500000 -0.2686634     0.6690993 
1 1 1 14 8  11 o 25.38143 0.5338134 154.7000   6.500000 -0.1522388     0.7736059 
1 1 1 14 8  12 x ?        ?         ?          ?        0.6122227      0.7477097 
1 1 1 14 9  0  o 42.34731 0.4037096 430.3000   8.200000 -0.000000      0.000000  
1 1 1 14 9  1  o 67.78555 0.4182096 1102.400   13.60000 -0.6730194     0.7748886 
1 1 1 14 9  2  o 39.22983 0.2975526 369.2000   5.600000 2.412342       0.5790871 
1 1 1 14 9  3  o 51.02152 0.4167148 624.6000   10.20000 4.520844       0.7186610 
1 1 1 14 9  4  o 27.43695 0.3114872 180.6000   4.100000 -1.439175      0.5910029 
1 1 1 14 9  5  o 20.37463 0.3580721 99.60000   3.500000 1.767956       0.6245101 
1 1 1 14 9  6  o 21.31329 0.3814225 109.0000   3.900000 -1.549686      0.6427460 
1 1 1 14 9  7  o 26.13485 0.3589092 163.9000   4.500000 -1.819048      0.6157052 
1 1 1 14 9  8  o 32.47641 0.3465915 253.1000   5.400000 -1.205303      0.5821562 
1 1 1 14 9  9  o 15.39088 0.5688242 56.90000   4.200000 1.910694       0.9140614 
1 1 1 14 9  10 o 30.64993 0.3944488 225.5000   5.800000 0.4008026      0.6387250 
1 1 1 14 9  11 f 67.52670 0.4167259 1094.600   13.50000 -4.020081      0.7153904 
1 1 1 14 9  12 x ?        ?         ?          ?        -0.9604759     0.9581560 
1 1 1 14 10 0  o 39.14865 0.4367279 367.8000   8.200000 0.000000       0.000000  
1 1 1 14 10 1  o 72.91504 0.3802128 1275.600   13.30000 1.060562       0.7629550 
1 1 1 14 10 2  o 36.56199 0.2850574 320.7000   5.000000 2.497910       0.5700778 
1 1 1 14 10 3  o 35.17878 0.3021910 296.9000   5.100000 2.125778       0.6073664 
1 1 1 14 10 4  o 77.12154 0.4324506 1427.200   16.00000 -1.982979      0.8570920 
1 1 1 14 10 5  o 52.39622 0.3301949 658.7000   8.300000 -1.460934      0.6471646 
1 1 1 14 10 6  o 25.98326 0.3449586 162.0000   4.300000 -0.9801254     0.5831984 
1 1 1 14 10 7  o 14.19564 0.6167178 48.40000   4.200000 0.6641006      0.8269144 
1 1 1 14 10 8  o 16.83865 0.5570543 68.10000   4.500000 2.560046       0.7909513 
1 1 1 14 10 9  o 39.38939 0.3545583 372.4000   6.700000 -1.565277      0.6123689 
1 1 1 14 10 10 o 36.73825 0.3914919 324.0000   6.900000 1.207003       0.5879127 
1 1 1 14 10 11 o 24.56383 0.4752083 144.9000   5.600000 2.123665       0.6683899 
1 1 1 14 10 12 x ?        ?         ?          ?        -1.700550      0.6886442 
1 1 1 14 11 0  o 53.67133 0.4505850 691.2000   11.60000 -0.000000      0.000000  
1 1 1 14 11 1  o 45.52316 0.3205220 497.2000   7.000000 3.281612       0.6373593 
1 1 1 14 11 2  o 69.97233 0.3902448 1174.800   13.10000 0.8696022      0.8135774 
1 1 1 14 11 3  o 71.01395 0.4109382 1210.100   14.00000 -0.1949196     0.8325953 
1 1 1 14 11 4  o 10.52274 0.6771022 26.70000   3.400000 1.465400       1.000963  
1 1 1 14 11 5  o 19.09405 0.4257540 87.50000   3.900000 0.9273548      0.6738758 
1 1 1 14 11 6  o 24.09182 0.3893454 139.3000   4.500000 2.717844       0.6520326 
1 1 1 14 11 7  o 13.18783 0.6660018 41.90000   4.200000 0.6210003      1.035187  
1 1 1 14 11 8  o 23.26944 0.4210213 130.0000   4.700000 0.1322937      0.6693061 
1 1 1 14 11 9  o 39.27094 0.3556277 370.2000   6.700000 0.3655663      0.5862697 
1 1 1 14 11 10 o 45.94981 0.4037369 506.9000   8.900000 1.289404       0.6026791 
1 1 1 14 11 11 x ?        ?         ?          ?        0.7161560      0.5692793 
1 1 1 14 11 12 x ?        ?         ?          ?        -1.859136      0.7741576 
1 1 1 14 12 0  o 26.88219 0.4344815 173.5000   5.600000 -0.000000      0.000000  
1 1 1 14 12 1  o 59.97153 0.3719040 863.0000   10.70000 1.854263       0.7076383 
1 1 1 14 12 2  f 23.37457 0.3567044 131.1000   4.000000 -1.022758      0.6341134 
1 1 1 14 12 3  o 50.68851 0.3372069 616.5000   8.200000 1.218578       0.6475620 
1 1 1 14 12 4  o 35.80990 0.3201486 307.7000   5.500000 0.8387699      0.5862852 
1 1 1 14 12 5  o 71.08972 0.3753145 1212.900   12.80000 -0.4577484     0.6695209 
1 1 1 14 12 6  o 25.30510 0.3871524 153.7000   4.700000 0.9554596      0.5952974 
1 1 1 14 12 7  o 24.32747 0.4369839 142.1000   5.100000 0.2801571      0.6514484 
1 1 1 14 12 8  o 22.29564 0.4674575 119.4000   5.000000 -2.507161      0.6955923 
1 1 1 14 12 9  o 13.02212 0.8042881 41.00000   5.000000 -1.119944      1.203143  
1 1 1 14 12 10 o 22.71364 0.5781573 124.0000   6.300000 1.026232       0.7804900 
1 1 1 14 12 11 x ?        ?         ?          ?        -0.1952076E-01 0.9598033 
1 1 1 14 13 0  o 117.4704 0.8216605 3312.300   46.30000 -0.000000      0.000000  
1 1 1 14 13 1  o 17.15048 0.4496945 70.60000   3.700000 -0.6467037     0.7821938 
1 1 1 14 13 2  o 12.00313 0.5904409 34.60000   3.400000 -2.679700      0.9838709 
1 1 1 14 13 3  o 35.84229 0.3547531 308.3000   6.100000 -0.9497643E-01 0.6358808 
1 1 1 14 13 4  o 64.03043 0.4232033 984.2000   13.00000 -1.985615      0.6782417 
1 1 1 14 13 5  o 45.91657 0.3359344 506.0000   7.400000 -0.2515450     0.6033842 
1 1 1 14 13 6  o 23.15207 0.4231558 128.7000   4.700000 0.8813992      0.6716057 
1 1 1 14 13 7  f 13.29580 0.7556410 42.70000   4.800000 -0.9850187     1.109699  
1 1 1 14 13 8  o 27.90235 0.4258202 187.0000   5.700000 2.203613       0.6447618 
1 1 1 14 13 9  o 18.30413 0.6377215 80.60000   5.600000 2.763216       0.9140389 
1 1 1 14 13 10 o 17.99382 0.7645620 78.00000   6.600000 0.7848568      1.026963  
1 1 1 14 13 11 x ?        ?         ?          ?        -0.7508578     1.428083  
1 1 1 14 14 0  o 39.79345 0.7811680 380.4000   14.90000 -0.000000      0.000000  
1 1 1 14 14 1  o 68.38064 0.6372211 1122.400   20.90000 0.000000       0.000000  
1 1 1 14 14 2  o 16.16543 0.8828451 63.30000   6.800000 0.000000       0.000000  
1 1 1 14 14 3  o 38.22792 0.4636330 350.8000   8.500000 -0.000000      0.000000  
1 1 1 14 14 4  o 85.25328 0.7654278 1745.500   31.30000 0.000000       0.000000  
1 1 1 14 14 5  o 36.67421 0.5231405 323.0000   9.200000 0.000000       0.000000  
1 1 1 14 14 6  o 4.342875 2.242689  6.700000   6.000000 -0.000000      0.000000  
1 1 1 14 14 7  o 35.07662 0.5113060 295.6000   8.600000 -0.000000      0.000000  
1 1 1 14 14 8  o 8.827705 2.004267  21.60000   7.400000 -0.000000      0.000000  
1 1 1 14 14 9  o 23.35214 0.8865925 131.9000   9.900000 0.000000       0.000000  
1 1 1 14 14 10 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 14 14 11 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 15 0  1  o 147.5036 1.030303  5220.300   72.90000 -0.000000      0.000000  
1 1 1 15 0  2  o 122.1784 1.066479  3582.100   62.50000 -0.000000      0.000000  
1 1 1 15 0  3  o 165.5676 1.136974  6578.300   90.30000 0.000000       0.000000  
1 1 1 15 0  4  o 59.26379 0.4748968 842.7000   13.50000 -0.000000      0.000000  
1 1 1 15 0  5  o 100.7590 0.7531202 2436.400   36.40000 -0.000000      0.000000  
1 1 1 15 0  6  o 42.34147 0.3988394 430.2000   8.100000 -0.000000      0.000000  
1 1 1 15 0  7  o 59.60379 0.5246689 852.6000   15.00000 -0.000000      0.000000  
1 1 1 15 0  8  o 60.83017 0.4900864 888.1000   14.30000 -0.000000      0.000000  
1 1 1 15 0  9  o 22.14108 0.7172002 118.1000   7.600000 -0.000000      0.000000  
1 1 1 15 0  10 o 9.358995 1.673960  23.10000   6.800000 0.000000       0.000000  
1 1 1 15 0  11 o 8.867297 2.256704  22.50000   8.300000 -0.000000      0.000000  
1 1 1 15 0  12 f 3.240707 2.108394  -0.3000000 7.900000 -0.000000      0.000000  
1 1 1 15 0  13 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 15 1  0  o 13.63065 0.5680616 44.80000   3.700000 -0.000000      0.000000  
1 1 1 15 1  1  o 131.1127 0.6629543 4124.100   41.70000 -0.4613266     1.305367  
1 1 1 15 1  2  o 84.21857 0.4554095 1701.500   18.40000 -3.292046      0.9312731 
1 1 1 15 1  3  o 97.69761 0.5163255 2289.900   24.20000 -0.3088760     0.9902009 
1 1 1 15 1  4  o 100.1123 0.6662765 2405.000   32.00000 -4.122726      1.269250  
1 1 1 15 1  5  o 36.43648 0.3375264 318.5000   5.900000 -0.4788723     0.6268151 
1 1 1 15 1  6  o 23.39479 0.2940268 131.3000   3.300000 2.120779       0.5200140 
1 1 1 15 1  7  o 66.27006 0.3459931 1053.700   11.00000 -1.647671      0.6917288 
1 1 1 15 1  8  o 100.3545 0.4881164 2417.000   23.50000 -1.929588      0.9820265 
1 1 1 15 1  9  o 26.37302 0.3714755 166.9000   4.700000 4.502304       0.6249127 
1 1 1 15 1  10 o 18.72323 0.6234469 84.20000   5.600000 -1.741751      0.9564128 
1 1 1 15 1  11 o 38.43538 0.4501311 354.6000   8.300000 1.382450       0.7396122 
1 1 1 15 1  12 o 18.19264 0.8593255 79.60000   7.500000 -0.9442329E-02 1.272104  
1 1 1 15 1  13 x ?        ?         ?          ?        3.130426       2.202332  
1 1 1 15 2  0  o 17.13490 0.4874907 70.60000   4.000000 -0.000000      0.000000  
1 1 1 15 2  1  o 80.71656 0.4235194 1562.900   16.40000 -0.4456406     0.8805775 
1 1 1 15 2  2  o 11.27560 0.4621601 30.50000   2.500000 2.748607       0.7973101 
1 1 1 15 2  3  o 110.4622 0.5661084 2927.500   30.00000 3.063416       1.106989  
1 1 1 15 2  4  o 34.42537 0.3269695 284.3000   5.400000 2.771057       0.6266105 
1 1 1 15 2  5  o 5.896908 0.7981728 8.500000   2.200000 -1.786474      1.287663  
1 1 1 15 2  6  o 44.97999 0.3800026 485.4000   8.200000 -3.778667      0.6707195 
1 1 1 15 2  7  o 27.23132 0.2832208 177.9000   3.700000 -0.1686211     0.5182384 
1 1 1 15 2  8  o 21.25521 0.3530443 108.4000   3.600000 1.787843       0.6059057 
1 1 1 15 2  9  o 36.07024 0.3640690 312.2000   6.300000 -0.7971001E-01 0.7233936 
1 1 1 15 2  10 o 22.45690 0.5569209 121.1000   6.000000 -1.404841      0.9132171 
1 1 1 15 2  11 o 18.17474 0.7798889 79.40000   6.800000 -0.4404249     1.043550  
1 1 1 15 2  12 o 17.56559 0.8306678 74.20000   7.000000 -3.048687      1.244014  
1 1 1 15 2  13 x ?        ?         ?          ?        -0.9986763     1.074022  
1 1 1 15 3  0  o 19.08470 0.4264432 87.50000   3.900000 0.000000       0.000000  
1 1 1 15 3  1  o 8.854371 0.6159135 18.90000   2.600000 -0.1833611     1.104192  
1 1 1 15 3  2  o 68.58105 0.4103192 1128.300   13.50000 2.023018       0.8418933 
1 1 1 15 3  3  o 21.43310 0.3209379 110.2000   3.300000 -2.548056      0.6158430 
1 1 1 15 3  4  o 56.69851 0.4852822 771.3000   13.20000 8.428596       0.7555287 
1 1 1 15 3  5  o 50.53227 0.3341246 612.6000   8.100000 -1.571232      0.6682901 
1 1 1 15 3  6  o 43.15092 0.3091591 446.7000   6.400000 2.317764       0.6096376 
1 1 1 15 3  7  o 59.31794 0.3443754 844.2000   9.800000 -3.008888      0.7252517 
1 1 1 15 3  8  o 4.134704 1.331111  4.000000   3.000000 4.451463       1.275433  
1 1 1 15 3  9  o 19.59929 0.4679555 92.20000   4.400000 -3.644989      0.9120741 
1 1 1 15 3  10 o 24.78541 0.5214201 147.5000   6.200000 -0.1736088     0.7917735 
1 1 1 15 3  11 o 42.01319 0.4514898 423.7000   9.100000 0.2015114E-01  0.7405097 
1 1 1 15 3  12 o 6.543964 2.104454  10.20000   7.500000 -0.5213442     2.314224  
1 1 1 15 3  13 x ?        ?         ?          ?        -1.343958      2.061679  
1 1 1 15 4  0  o 28.35709 0.3897546 193.0000   5.300000 0.000000       0.000000  
1 1 1 15 4  1  o 48.48421 0.3267424 563.9000   7.600000 5.394485       0.6648894 
1 1 1 15 4  2  o 21.55929 0.3190595 111.5000   3.300000 1.631533       0.6125924 
1 1 1 15 4  3  o 14.40809 0.3761481 49.80000   2.600000 1.924788       0.6896523 
1 1 1 15 4  4  o 55.66119 0.4044487 743.3000   10.80000 -3.132652      0.8895326 
1 1 1 15 4  5  o 26.47787 0.3778768 168.2000   4.800000 4.230204       0.5669144 
1 1 1 15 4  6  o 22.37441 0.3074359 120.1000   3.300000 -1.114368      0.5784289 
1 1 1 15 4  7  o 15.19376 0.4801698 55.40000   3.500000 0.7423010      0.7555497 
1 1 1 15 4  8  o 26.79693 0.3578202 172.3000   4.600000 0.5678844      0.6205815 
1 1 1 15 4  9  o 45.35196 0.4090591 493.8000   8.900000 -2.331448      0.7711149 
1 1 1 15 4  10 o 22.74809 0.3940178 124.2000   4.300000 -0.5109901     0.7880012 
1 1 1 15 4  11 o 12.36044 1.107912  37.10000   6.500000 -0.9621439     1.482865  
1 1 1 15 4  12 x ?        ?         ?          ?        -1.747802      1.770231  
1 1 1 15 4  13 x ?        ?         ?          ?        2.129560       2.198363  
1 1 1 15 5  0  o 36.70506 0.4089970 323.3000   7.200000 0.000000       0.000000  
1 1 1 15 5  1  o 48.29825 0.3582110 559.6000   8.300000 1.417233       0.7013018 
1 1 1 15 5  2  f 21.31608 0.3129210 109.0000   3.200000 2.022682       0.5645959 
1 1 1 15 5  3  o 49.26317 0.3427321 582.2000   8.100000 -3.625839      0.7321244 
1 1 1 15 5  4  o 67.73009 0.4739486 1100.700   15.40000 5.490658       0.8693057 
1 1 1 15 5  5  o 60.14223 0.3673825 867.8000   10.60000 0.2016525      0.7408364 
1 1 1 15 5  6  o 42.06403 0.3270584 424.5000   6.600000 2.083302       0.6397031 
1 1 1 15 5  7  o 27.99180 0.3499929 188.0000   4.700000 -2.798967      0.7031167 
1 1 1 15 5  8  o 13.61463 0.5664846 44.50000   3.700000 0.4120474      0.9816902 
1 1 1 15 5  9  o 25.68278 0.4463884 158.4000   5.500000 -1.829988      0.6170404 
1 1 1 15 5  10 o 3.842165 1.581788  1.100000   4.700000 0.5094666      1.988396  
1 1 1 15 5  11 o 19.07912 0.7538464 87.50000   6.900000 0.5390606      1.219485  
1 1 1 15 5  12 x ?        ?         ?          ?        -0.1199741     1.419762  
1 1 1 15 5  13 x ?        ?         ?          ?        -0.1689816     2.290534  
1 1 1 15 6  0  o 11.00625 0.6879577 29.40000   3.600000 0.000000       0.000000  
1 1 1 15 6  1  o 18.97797 0.3075392 86.40000   2.800000 0.2916307      0.5758663 
1 1 1 15 6  2  o 37.35843 0.3291968 334.8000   5.900000 -3.045725      0.6075780 
1 1 1 15 6  3  o 80.62437 0.4395160 1559.600   17.00000 -2.441185      0.9166420 
1 1 1 15 6  4  o 23.26906 0.3404057 129.9000   3.800000 0.2750587      0.5899632 
1 1 1 15 6  5  o 63.39382 0.4570461 964.3000   13.90000 -1.562374      0.8139886 
1 1 1 15 6  6  o 19.44250 0.3859603 90.70000   3.600000 3.841632       0.6508249 
1 1 1 15 6  7  o 25.19392 0.3474927 152.3000   4.200000 1.258430       0.6088564 
1 1 1 15 6  8  o 32.90411 0.3547562 259.8000   5.600000 0.1315556      0.6679136 
1 1 1 15 6  9  o 40.78564 0.3475312 399.2000   6.800000 -1.457500      0.7060444 
1 1 1 15 6  10 o 8.632954 1.164547  18.30000   4.700000 0.6141391      1.807490  
1 1 1 15 6  11 o 30.13123 0.3804854 217.9000   5.500000 -0.6770630     0.7723061 
1 1 1 15 6  12 x ?        ?         ?          ?        1.958983       2.122421  
1 1 1 15 7  0  o 31.73470 0.4008148 241.7000   6.100000 0.000000       0.000000  
1 1 1 15 7  1  o 18.38684 0.3174265 81.10000   2.800000 1.350394       0.5706332 
1 1 1 15 7  2  o 40.34484 0.3513282 390.5000   6.800000 1.952045       0.6776875 
1 1 1 15 7  3  o 51.12549 0.3587876 627.1000   8.800000 -0.6407318     0.6752661 
1 1 1 15 7  4  o 69.42754 0.4533539 1156.600   15.10000 1.729427       0.8295718 
1 1 1 15 7  5  o 65.82064 0.3990255 1039.500   12.60000 -2.311741      0.7927471 
1 1 1 15 7  6  o 11.97095 0.5746155 34.40000   3.300000 -3.805842      1.034997  
1 1 1 15 7  7  o 27.01284 0.3703933 175.1000   4.800000 -1.122000      0.6170473 
1 1 1 15 7  8  o 44.38226 0.3616375 472.7000   7.700000 -1.527279      0.6550295 
1 1 1 15 7  9  o 17.75519 0.5048186 75.70000   4.300000 0.9831915      0.8896769 
1 1 1 15 7  10 o 8.529924 1.048423  17.80000   4.200000 1.605985       1.427796  
1 1 1 15 7  11 o 18.23674 0.6057884 79.90000   5.300000 3.132092       0.8652670 
1 1 1 15 7  12 x ?        ?         ?          ?        -1.494000      2.239053  
1 1 1 15 8  0  o 42.47467 0.4074086 432.9000   8.300000 0.000000       0.000000  
1 1 1 15 8  1  o 27.49066 0.2805490 181.3000   3.700000 -0.7996845     0.5768020 
1 1 1 15 8  2  o 38.39721 0.2877189 353.7000   5.300000 0.3945007      0.5821205 
1 1 1 15 8  3  o 41.67479 0.3651251 416.7000   7.300000 1.718735       0.6760125 
1 1 1 15 8  4  o 49.82052 0.3347140 595.5000   8.000000 -1.949108      0.6893799 
1 1 1 15 8  5  o 60.89851 0.4038941 889.9000   11.80000 -0.1457520     0.7651383 
1 1 1 15 8  6  o 5.756106 1.298373  8.300000   3.500000 1.814957       1.623872  
1 1 1 15 8  7  o 32.91602 0.3609605 260.0000   5.700000 3.896685       0.6286497 
1 1 1 15 8  8  o 20.16224 0.4859047 97.60000   4.700000 0.6223383      0.7475814 
1 1 1 15 8  9  o 22.14094 0.4424802 117.7000   4.700000 1.684225       0.7047258 
1 1 1 15 8  10 o 22.33715 0.4479254 119.8000   4.800000 -0.2443752     0.6902155 
1 1 1 15 8  11 o 22.33588 0.6345971 119.9000   6.800000 0.9645586      0.8900135 
1 1 1 15 8  12 x ?        ?         ?          ?        3.043538       1.166075  
1 1 1 15 9  0  o 18.22213 0.4467327 79.80000   3.900000 -0.000000      0.000000  
1 1 1 15 9  1  o 20.47667 0.3562877 100.6000   3.500000 4.387896       0.5869947 
1 1 1 15 9  2  o 71.44059 0.3938954 1224.600   13.50000 -4.291039      0.8562941 
1 1 1 15 9  3  o 6.308029 0.7764115 9.700000   2.300000 4.605682       1.261783  
1 1 1 15 9  4  o 39.41856 0.3225679 372.8000   6.100000 -0.2332001     0.6345588 
1 1 1 15 9  5  o 43.78689 0.3237107 460.0000   6.800000 -1.199863      0.6289180 
1 1 1 15 9  6  o 55.18520 0.3550564 730.8000   9.400000 1.345264       0.6743711 
1 1 1 15 9  7  o 37.92741 0.3407459 345.2000   6.200000 1.023891       0.6222673 
1 1 1 15 9  8  o 38.56950 0.3620953 357.1000   6.700000 -1.157759      0.6534164 
1 1 1 15 9  9  o 9.402532 1.060470  21.60000   4.700000 -1.286540      1.697243  
1 1 1 15 9  10 o 44.40944 0.4646779 473.6000   9.900000 -3.447107      0.7006838 
1 1 1 15 9  11 o 26.48665 0.5823670 168.6000   7.400000 -1.472990      0.8011948 
1 1 1 15 9  12 x ?        ?         ?          ?        1.906434       1.874160  
1 1 1 15 10 0  o 53.43404 0.4447815 685.1000   11.40000 0.000000       0.000000  
1 1 1 15 10 1  o 59.26434 0.3446869 842.7000   9.800000 0.1029129      0.6934137 
1 1 1 15 10 2  o 28.96597 0.3094372 201.3000   4.300000 -4.445244      0.6134007 
1 1 1 15 10 3  o 39.77152 0.2987410 379.5000   5.700000 -0.9366684     0.6030173 
1 1 1 15 10 4  o 8.936196 0.7055170 19.30000   3.000000 0.9726572E-01  1.174315  
1 1 1 15 10 5  o 17.74754 0.4345659 75.60000   3.700000 -1.506065      0.7281276 
1 1 1 15 10 6  o 60.51492 0.3788981 878.9000   11.00000 -2.651432      0.7130245 
1 1 1 15 10 7  o 39.59144 0.3527489 376.2000   6.700000 -1.013948      0.6175749 
1 1 1 15 10 8  o 16.79729 0.5708352 67.80000   4.600000 1.339075       0.8189907 
1 1 1 15 10 9  o 11.78128 0.9638572 33.70000   5.400000 1.185863       1.300009  
1 1 1 15 10 10 o 40.19698 0.3837342 387.9000   7.400000 -0.4647083     0.6132677 
1 1 1 15 10 11 x ?        ?         ?          ?        0.5757103      0.6998606 
1 1 1 15 10 12 x ?        ?         ?          ?        -0.4403324     0.8653466 
1 1 1 15 11 0  o 22.62028 0.4519409 122.9000   4.900000 -0.000000      0.000000  
1 1 1 15 11 1  o 43.51915 0.3017535 454.4000   6.300000 -0.9518051     0.6037220 
1 1 1 15 11 2  o 49.88538 0.3259218 597.1000   7.800000 0.4682045      0.6557424 
1 1 1 15 11 3  o 20.17710 0.3925699 97.70000   3.800000 -1.221927      0.6999634 
1 1 1 15 11 4  o 23.57570 0.4067105 133.4000   4.600000 -2.072535      0.6057383 
1 1 1 15 11 5  o 62.77975 0.3951114 946.0000   11.90000 -1.425701      0.7109212 
1 1 1 15 11 6  o 31.26350 0.3733727 234.6000   5.600000 -0.8312225E-01 0.6075369 
1 1 1 15 11 7  o 11.81694 0.8524204 33.80000   4.800000 -1.996417      1.184035  
1 1 1 15 11 8  o 13.73121 0.7159584 45.50000   4.700000 1.300341       1.044508  
1 1 1 15 11 9  o 15.46699 0.7546999 57.60000   5.600000 -0.5734806     1.075981  
1 1 1 15 11 10 o 19.84124 0.6723623 94.70000   6.400000 1.037707       0.9040707 
1 1 1 15 11 11 x ?        ?         ?          ?        -1.012276      0.6575751 
1 1 1 15 12 0  o 74.85667 0.5625592 1344.700   20.20000 0.000000       0.000000  
1 1 1 15 12 1  o 30.67674 0.2989755 225.8000   4.400000 -0.2666130     0.5515693 
1 1 1 15 12 2  o 15.24873 0.4784389 55.80000   3.500000 -1.013892      0.7530828 
1 1 1 15 12 3  o 27.19476 0.3832454 177.5000   5.000000 1.315916       0.6246826 
1 1 1 15 12 4  o 22.97165 0.4627752 126.7000   5.100000 -1.004778      0.7416560 
1 1 1 15 12 5  o 24.18642 0.5084784 140.5000   5.900000 -2.263994      0.7186509 
1 1 1 15 12 6  o 42.19090 0.3606586 427.3000   7.300000 -0.5335007     0.6120312 
1 1 1 15 12 7  o 22.84544 0.4927044 125.4000   5.400000 0.3504944      0.7486199 
1 1 1 15 12 8  o 23.52500 0.4961928 133.0000   5.600000 2.727800       0.7778853 
1 1 1 15 12 9  o 28.40662 0.4916401 193.9000   6.700000 0.8485699      0.7059005 
1 1 1 15 12 10 o 37.17863 0.4597403 332.1000   8.200000 1.414902       0.6997313 
1 1 1 15 12 11 x ?        ?         ?          ?        0.8977900      1.221176  
1 1 1 15 13 0  o 7.754989 1.615856  16.20000   5.300000 0.000000       0.000000  
1 1 1 15 13 1  o 18.53492 0.5060739 82.50000   4.500000 0.5706139      0.7316949 
1 1 1 15 13 2  o 27.83670 0.3818955 186.0000   5.100000 -0.9623947     0.6028630 
1 1 1 15 13 3  f 22.70627 0.4498238 123.8000   4.900000 -1.481773      0.6979736 
1 1 1 15 13 4  o 17.57329 0.5456282 74.20000   4.600000 -0.6975241     0.8708896 
1 1 1 15 13 5  o 57.10372 0.4124832 783.0000   11.30000 -2.138828      0.6819560 
1 1 1 15 13 6  o 10.41961 0.9714446 26.40000   4.800000 0.1403017      1.362172  
1 1 1 15 13 7  o 8.459722 1.191043  17.70000   4.700000 2.958076       1.674828  
1 1 1 15 13 8  o 24.77004 0.5049133 147.5000   6.000000 0.4981937      0.7822556 
1 1 1 15 13 9  o 40.29298 0.4242058 390.0000   8.200000 0.3789368      0.6023716 
1 1 1 15 13 10 x ?        ?         ?          ?        -0.7981491E-01 0.6573691 
1 1 1 15 13 11 x ?        ?         ?          ?        0.8126507      0.8565396 
1 1 1 15 14 0  f 15.20287 0.9124473 56.10000   6.600000 0.000000       0.000000  
1 1 1 15 14 1  o 8.025390 1.177872  15.90000   4.400000 -2.525574      1.811341  
1 1 1 15 14 2  o 21.51713 0.4553084 111.2000   4.700000 1.642121       0.7203488 
1 1 1 15 14 3  o 4.057070 1.535521  2.900000   4.100000 -0.5656719E-01 1.893189  
1 1 1 15 14 4  o 26.65122 0.4301677 170.6000   5.500000 0.5437622      0.6642113 
1 1 1 15 14 5  o 22.39468 0.4560826 120.5000   4.900000 1.091366       0.7341052 
1 1 1 15 14 6  o 18.84176 0.5531471 85.40000   5.000000 -1.007304      0.8429295 
1 1 1 15 14 7  o 27.59315 0.4457002 183.0000   5.900000 -0.1992283     0.7006962 
1 1 1 15 14 8  o 12.09555 0.9379279 35.60000   5.400000 -1.549939      1.313693  
1 1 1 15 14 9  o 49.54531 0.4123022 589.8000   9.800000 0.1151276E-01  0.6054021 
1 1 1 15 14 10 x ?        ?         ?          ?        0.3264122      0.6115990 
1 1 1 15 15 0  o 33.04325 0.7958834 262.5000   12.60000 0.000000       0.000000  
1 1 1 15 15 1  o 16.29173 0.8758121 64.30000   6.800000 -0.000000      0.000000  
1 1 1 15 15 2  o 41.89663 0.5474858 421.5000   11.00000 0.000000       0.000000  
1 1 1 15 15 3  o 46.55111 0.6226616 520.5000   13.90000 0.000000       0.000000  
1 1 1 15 15 4  o 3.247866 2.030797  1.500000   6.500000 0.000000       0.000000  
1 1 1 15 15 5  o 32.98172 0.5501873 261.4000   8.700000 0.000000       0.000000  
1 1 1 15 15 6  o 7.235577 2.319173  16.10000   7.100000 0.000000       0.000000  
1 1 1 15 15 7  o 2.217900 1.568026  -8.300000  6.800000 0.000000       0.000000  
1 1 1 15 15 8  o 27.15143 0.7691098 177.8000   10.00000 0.000000       0.000000  
1 1 1 15 15 9  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 15 15 10 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 16 0  0  o 16.24760 0.7216815 63.70000   5.600000 0.000000       0.000000  
1 1 1 16 0  1  o 41.54033 0.4667977 414.1000   9.300000 0.000000       0.000000  
1 1 1 16 0  2  o 106.5718 0.7824608 2725.300   40.00000 0.000000       0.000000  
1 1 1 16 0  3  o 47.56552 0.4602362 542.9000   10.50000 0.000000       0.000000  
1 1 1 16 0  4  o 98.26283 0.8168291 2317.400   38.50000 0.000000       0.000000  
1 1 1 16 0  5  o 70.00417 0.5181686 1175.900   17.40000 0.000000       0.000000  
1 1 1 16 0  6  o 48.07530 0.5768497 554.8000   13.30000 0.000000       0.000000  
1 1 1 16 0  7  o 71.38645 0.5490248 1223.100   18.80000 0.000000       0.000000  
1 1 1 16 0  8  o 43.59141 0.4304563 456.1000   9.000000 0.000000       0.000000  
1 1 1 16 0  9  o 29.23234 0.4923290 205.3000   6.900000 0.000000       0.000000  
1 1 1 16 0  10 o 16.49546 0.9680064 66.20000   7.600000 0.000000       0.000000  
1 1 1 16 0  11 o 35.57304 0.7449118 304.8000   12.70000 0.000000       0.000000  
1 1 1 16 0  12 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 16 1  0  o 4.383048 1.699657  6.300000   3.400000 -0.000000      0.000000  
1 1 1 16 1  1  o 24.20938 0.3444043 140.6000   4.000000 2.041864       0.5971865 
1 1 1 16 1  2  o 56.19691 0.3709195 757.6000   10.00000 -2.025730      0.7728711 
1 1 1 16 1  3  o 43.23344 0.3133904 448.4000   6.500000 0.7809334      0.6324428 
1 1 1 16 1  4  o 31.76057 0.3150251 242.0000   4.800000 -2.653971      0.6167734 
1 1 1 16 1  5  o 53.17965 0.3527680 678.5000   9.000000 -4.988071      0.8192170 
1 1 1 16 1  6  o 80.76697 0.4361592 1565.300   16.90000 -0.7433739     0.8690082 
1 1 1 16 1  7  o 49.40825 0.3079751 585.7000   7.300000 -0.4907265     0.6354102 
1 1 1 16 1  8  o 44.75550 0.3027325 480.6000   6.500000 -1.465290      0.6108485 
1 1 1 16 1  9  o 18.02782 0.3815600 78.00000   3.300000 1.067413       0.6098372 
1 1 1 16 1  10 o 19.04271 0.5692024 87.10000   5.200000 1.486389       0.8529411 
1 1 1 16 1  11 o 19.49040 0.7165493 91.30000   6.700000 1.497121       1.075007  
1 1 1 16 1  12 x ?        ?         ?          ?        -1.590568      2.335799  
1 1 1 16 2  0  o 94.87268 0.7273382 2159.700   33.10000 0.000000       0.000000  
1 1 1 16 2  1  o 88.48528 0.4994098 1878.500   21.20000 -0.2111130     0.9932545 
1 1 1 16 2  2  o 26.27423 0.2856043 165.6000   3.600000 -0.3976421     0.5534745 
1 1 1 16 2  3  o 41.00646 0.3202436 403.4000   6.300000 -1.004997      0.6756565 
1 1 1 16 2  4  o 36.35615 0.3153385 317.1000   5.500000 -0.4411926     0.6315830 
1 1 1 16 2  5  o 17.64532 0.3543920 74.70000   3.000000 -0.6518555     0.5983543 
1 1 1 16 2  6  o 17.15325 0.4010140 70.60000   3.300000 0.9775925E-01  0.6625119 
1 1 1 16 2  7  o 21.06736 0.3759808 106.5000   3.800000 0.5846748      0.6408455 
1 1 1 16 2  8  o 31.18843 0.3274875 233.4000   4.900000 -1.155464      0.6142538 
1 1 1 16 2  9  o 18.14233 0.4021305 79.00000   3.500000 2.252944       0.6308868 
1 1 1 16 2  10 o 4.035004 1.722973  -0.1000000 5.900000 -0.8735394E-01 2.179503  
1 1 1 16 2  11 o 13.21425 1.017377  42.30000   6.400000 -1.169436      1.365474  
1 1 1 16 2  12 x ?        ?         ?          ?        -2.340818      0.8767778 
1 1 1 16 3  0  o 38.72229 0.5331531 359.9000   9.900000 0.000000       0.000000  
1 1 1 16 3  1  o 36.10918 0.3579038 312.8000   6.200000 6.250782       0.6239979 
1 1 1 16 3  2  o 15.40074 0.4195775 56.90000   3.100000 -1.995665      0.7259669 
1 1 1 16 3  3  o 32.51926 0.3269051 253.7000   5.100000 2.612619       0.6192005 
1 1 1 16 3  4  o 17.01999 0.3674126 69.50000   3.000000 2.400469       0.6581727 
1 1 1 16 3  5  o 25.18763 0.2979252 152.2000   3.600000 0.1627312      0.5490234 
1 1 1 16 3  6  o 12.73145 0.5075468 38.90000   3.100000 -3.213634      0.8086617 
1 1 1 16 3  7  o 30.21852 0.3242028 219.1000   4.700000 2.866926       0.5774288 
1 1 1 16 3  8  o 47.70064 0.3539590 546.0000   8.100000 -0.4424057     0.7588133 
1 1 1 16 3  9  o 38.93550 0.3372772 363.8000   6.300000 1.522594       0.5815119 
1 1 1 16 3  10 o 32.08477 0.5002463 247.2000   7.700000 -1.895319      0.8472210 
1 1 1 16 3  11 o 19.39065 0.7632348 90.40000   7.100000 1.373287       1.113624  
1 1 1 16 3  12 x ?        ?         ?          ?        0.8312559      1.714365  
1 1 1 16 4  0  f 88.24194 0.6827684 1868.400   28.90000 0.000000       0.000000  
1 1 1 16 4  1  o 54.59715 0.4161488 715.1000   10.90000 -5.572235      0.8552396 
1 1 1 16 4  2  o 20.81088 0.3305336 103.9000   3.300000 0.6541023      0.6094471 
1 1 1 16 4  3  o 67.22923 0.3875645 1084.400   12.50000 -1.702450      0.7992356 
1 1 1 16 4  4  o 38.91981 0.3106343 363.4000   5.800000 4.429598       0.6534441 
1 1 1 16 4  5  o 33.91821 0.2949854 276.0000   4.800000 1.500778       0.6049134 
1 1 1 16 4  6  o 15.61376 0.4138533 58.50000   3.100000 -0.1156416     0.6953459 
1 1 1 16 4  7  o 4.946102 1.322853  6.100000   3.200000 -0.5177534     1.684452  
1 1 1 16 4  8  o 19.34212 0.4526238 89.80000   4.200000 2.677972       0.7261696 
1 1 1 16 4  9  o 32.70554 0.3377900 256.7000   5.300000 1.307428       0.5490333 
1 1 1 16 4  10 o 22.14880 0.4893790 117.8000   5.200000 -0.5836487E-01 0.9185189 
1 1 1 16 4  11 f 10.97092 1.217521  29.40000   6.300000 -2.218464      1.790348  
1 1 1 16 4  12 x ?        ?         ?          ?        0.9521556      2.221199  
1 1 1 16 5  0  o 5.187857 1.566362  8.000000   3.400000 -0.000000      0.000000  
1 1 1 16 5  1  o 24.08822 0.3115228 139.2000   3.600000 -4.299486      0.6129147 
1 1 1 16 5  2  o 28.76479 0.3116014 198.5000   4.300000 2.965727       0.5664149 
1 1 1 16 5  3  o 44.58038 0.3179489 476.8000   6.800000 0.5484734      0.6663351 
1 1 1 16 5  4  o 18.41953 0.3508127 81.40000   3.100000 -1.766393      0.6512781 
1 1 1 16 5  5  o 21.42196 0.3308354 110.1000   3.400000 0.4429035      0.6258004 
1 1 1 16 5  6  o 38.43259 0.3308433 354.4000   6.100000 -0.1794052E-01 0.6258330 
1 1 1 16 5  7  o 35.64549 0.3625595 304.9000   6.200000 -2.302275      0.7045146 
1 1 1 16 5  8  o 56.91401 0.3845583 777.4000   10.50000 0.4498291E-01  0.7338197 
1 1 1 16 5  9  o 18.60222 0.5042431 83.10000   4.500000 0.3955555E-01  0.7624252 
1 1 1 16 5  10 o 22.38759 0.5586451 120.4000   6.000000 2.888098       0.8545474 
1 1 1 16 5  11 o 9.733724 1.527936  23.50000   6.900000 1.407230       2.130297  
1 1 1 16 5  12 x ?        ?         ?          ?        -2.561046      2.306463  
1 1 1 16 6  0  o 64.47897 0.5334884 997.6000   16.50000 0.000000       0.000000  
1 1 1 16 6  1  o 47.52164 0.3421333 541.8000   7.800000 0.3452835      0.6803089 
1 1 1 16 6  2  o 27.21608 0.2833794 177.7000   3.700000 0.6142101      0.5649492 
1 1 1 16 6  3  o 25.95365 0.2971635 161.6000   3.700000 -0.5343380     0.5819469 
1 1 1 16 6  4  o 46.08674 0.3527855 509.6000   7.800000 0.9266167      0.7082068 
1 1 1 16 6  5  o 7.063216 0.9380566 12.20000   3.100000 -0.5142603     1.505137  
1 1 1 16 6  6  o 33.78524 0.3640132 273.9000   5.900000 -3.088043      0.6387088 
1 1 1 16 6  7  o 50.05143 0.3831453 601.2000   9.200000 -2.543385      0.7228713 
1 1 1 16 6  8  o 49.77419 0.3727160 594.6000   8.900000 -2.854462      0.7346323 
1 1 1 16 6  9  o 25.68664 0.4138615 158.4000   5.100000 0.2202415E-01  0.7978331 
1 1 1 16 6  10 o 13.99180 0.8532451 47.30000   5.700000 1.449066       1.224888  
1 1 1 16 6  11 o 21.93114 0.4752267 115.5000   5.000000 4.008183       0.8127218 
1 1 1 16 6  12 x ?        ?         ?          ?        2.525469       2.008393  
1 1 1 16 7  0  o 27.13165 0.3920040 176.7000   5.100000 0.000000       0.000000  
1 1 1 16 7  1  o 46.86781 0.3246687 527.0000   7.300000 -0.7455444E-01 0.6727039 
1 1 1 16 7  2  o 53.93311 0.3594344 697.9000   9.300000 -2.054489      0.7329417 
1 1 1 16 7  3  o 10.86347 0.5583314 28.40000   2.900000 0.5726528      0.8235567 
1 1 1 16 7  4  o 40.64065 0.3692870 396.3000   7.200000 3.250660       0.6597289 
1 1 1 16 7  5  o 25.27740 0.3380987 153.3000   4.100000 1.744091       0.5974882 
1 1 1 16 7  6  o 39.91479 0.3394467 382.3000   6.500000 -2.226473      0.6825086 
1 1 1 16 7  7  o 35.99713 0.3937615 311.0000   6.800000 -3.733284      0.6652242 
1 1 1 16 7  8  o 42.92779 0.3836018 442.4000   7.900000 -1.753883      0.6706806 
1 1 1 16 7  9  o 25.55404 0.4404803 156.8000   5.400000 -0.9142876     0.7331461 
1 1 1 16 7  10 o 35.17017 0.3556058 296.9000   6.000000 1.985340       0.5783871 
1 1 1 16 7  11 f 9.607788 1.361522  22.80000   6.100000 3.806640       1.903180  
1 1 1 16 7  12 x ?        ?         ?          ?        0.6446338      2.460617  
1 1 1 16 8  0  f 8.480609 1.022572  18.00000   4.000000 0.000000       0.000000  
1 1 1 16 8  1  o 105.8730 0.5178006 2690.200   26.30000 1.304802       1.008011  
1 1 1 16 8  2  o 20.71955 0.3319907 103.0000   3.300000 0.6601906      0.6076483 
1 1 1 16 8  3  o 38.06861 0.3121045 347.7000   5.700000 0.4627991E-01  0.6117808 
1 1 1 16 8  4  o 42.30372 0.3399873 429.4000   6.900000 -1.776226      0.6436391 
1 1 1 16 8  5  o 25.40631 0.3774057 154.9000   4.600000 0.1789284E-01  0.6249076 
1 1 1 16 8  6  f 32.99014 0.3791047 261.2000   6.000000 -0.3246231     0.6415088 
1 1 1 16 8  7  o 37.96996 0.4336897 346.1000   7.900000 -4.973103      0.7215197 
1 1 1 16 8  8  o 39.05019 0.4056791 366.1000   7.600000 -2.114031      0.7287750 
1 1 1 16 8  9  o 15.82275 0.6455148 60.20000   4.900000 -0.3294010     1.105828  
1 1 1 16 8  10 f 31.40620 0.3982245 236.8000   6.000000 0.7430477      0.6369954 
1 1 1 16 8  11 x ?        ?         ?          ?        -3.161058      0.7525500 
1 1 1 16 8  12 x ?        ?         ?          ?        1.463902       1.596985  
1 1 1 16 9  0  o 27.87194 0.4340006 186.5000   5.800000 -0.000000      0.000000  
1 1 1 16 9  1  o 33.96047 0.2884804 276.7000   4.700000 -0.8227768     0.5680174 
1 1 1 16 9  2  o 24.39624 0.3161339 142.8000   3.700000 -0.5340157     0.5936182 
1 1 1 16 9  3  o 12.66460 0.5102257 38.50000   3.100000 -0.5415249E-01 0.8431576 
1 1 1 16 9  4  o 24.71009 0.3542967 146.5000   4.200000 -0.6572857     0.6137338 
1 1 1 16 9  5  o 35.90101 0.3425607 309.3000   5.900000 -1.168211      0.6302035 
1 1 1 16 9  6  o 33.29107 0.3694166 266.0000   5.900000 -1.179972      0.6282601 
1 1 1 16 9  7  o 44.00017 0.3647779 464.7000   7.700000 0.8527699      0.6299804 
1 1 1 16 9  8  o 13.08590 0.8164537 41.40000   5.100000 0.4930716      1.144210  
1 1 1 16 9  9  o 12.48308 0.9420401 37.80000   5.600000 -2.169472      1.466199  
1 1 1 16 9  10 o 22.68201 0.5146343 123.6000   5.600000 -0.2659187     0.7684230 
1 1 1 16 9  11 x ?        ?         ?          ?        1.299845       1.793969  
1 1 1 16 10 0  o 64.52618 0.5040115 999.1000   15.60000 -0.000000      0.000000  
1 1 1 16 10 1  o 30.38382 0.3018578 221.5000   4.400000 0.3404045      0.5799901 
1 1 1 16 10 2  o 27.91695 0.3135982 187.0000   4.200000 1.899632       0.5799881 
1 1 1 16 10 3  o 47.02287 0.3235980 530.5000   7.300000 0.7860336      0.6294939 
1 1 1 16 10 4  f 54.56657 0.3705418 714.6000   9.700000 -1.760914      0.6910486 
1 1 1 16 10 5  o 8.575703 1.068345  18.00000   4.300000 2.038889       1.631459  
1 1 1 16 10 6  o 30.53474 0.3686309 223.8000   5.400000 -1.495443      0.6188179 
1 1 1 16 10 7  o 16.04365 0.6496196 61.90000   5.000000 1.162447       0.9163786 
1 1 1 16 10 8  o 3.347337 1.507745  -2.500000  5.100000 0.4728401      1.883812  
1 1 1 16 10 9  o 28.71435 0.4863713 198.1000   6.700000 -1.083992      0.7349102 
1 1 1 16 10 10 o 12.36512 0.9340549 37.10000   5.500000 1.901306       1.362928  
1 1 1 16 10 11 x ?        ?         ?          ?        -0.8309689     0.8461467 
1 1 1 16 11 0  o 36.93288 0.4516637 327.4000   8.000000 0.000000       0.000000  
1 1 1 16 11 1  o 46.92085 0.3287442 528.3000   7.400000 -1.685497      0.6349764 
1 1 1 16 11 2  o 30.12251 0.3321561 217.7000   4.800000 -0.8108997     0.5959156 
1 1 1 16 11 3  o 14.03175 0.5942103 47.30000   4.000000 -1.088243      0.9403224 
1 1 1 16 11 4  o 22.00009 0.4263637 116.2000   4.500000 0.4494953      0.6983719 
1 1 1 16 11 5  o 50.18415 0.3530568 604.5000   8.500000 -1.754387      0.6249042 
1 1 1 16 11 6  o 5.493060 1.671834  7.400000   4.800000 1.792712       1.980436  
1 1 1 16 11 7  o 27.30533 0.4427645 179.1000   5.800000 -0.6106110     0.7186112 
1 1 1 16 11 8  o 30.19382 0.4901539 219.1000   7.100000 -1.295370      0.7051501 
1 1 1 16 11 9  o 36.53338 0.4336266 320.6000   7.600000 1.160484       0.5906614 
1 1 1 16 11 10 o 39.75930 0.4403852 379.8000   8.400000 -1.302019      0.6386449 
1 1 1 16 11 11 x ?        ?         ?          ?        0.6246271      1.284461  
1 1 1 16 12 0  o 59.37921 0.5126057 846.2000   14.60000 0.000000       0.000000  
1 1 1 16 12 1  o 18.42373 0.4525582 81.50000   4.000000 0.2304268E-01  0.6871285 
1 1 1 16 12 2  o 23.38617 0.4100067 131.3000   4.600000 0.5112972      0.6890301 
1 1 1 16 12 3  o 41.07531 0.3653792 405.0000   7.200000 -0.9193573     0.6153138 
1 1 1 16 12 4  o 64.50944 0.4103672 999.2000   12.70000 -2.408859      0.6936137 
1 1 1 16 12 5  o 30.66465 0.4078547 225.8000   6.000000 0.2357388      0.6630578 
1 1 1 16 12 6  o 10.66802 0.9477553 27.70000   4.800000 -1.248878      1.428732  
1 1 1 16 12 7  o 15.27287 0.7097002 56.20000   5.200000 2.436262       0.9967188 
1 1 1 16 12 8  o 30.46866 0.4583672 223.1000   6.700000 -2.847029      0.6889921 
1 1 1 16 12 9  o 68.87618 0.4327720 1139.700   14.30000 -0.6430702     0.7255045 
1 1 1 16 12 10 x ?        ?         ?          ?        -0.3652363     0.6494283 
1 1 1 16 12 11 x ?        ?         ?          ?        0.2142115      1.696126  
1 1 1 16 13 0  o 6.136398 2.026266  11.60000   5.300000 0.000000       0.000000  
1 1 1 16 13 1  o 18.01609 0.5437879 78.00000   4.700000 0.2428980      0.8743968 
1 1 1 16 13 2  o 14.25811 0.6578738 48.90000   4.500000 -1.487351      1.013203  
1 1 1 16 13 3  o 10.87926 0.8497794 28.70000   4.400000 1.017918       1.255234  
1 1 1 16 13 4  o 39.77470 0.3878082 379.9000   7.400000 1.480804       0.6638069 
1 1 1 16 13 5  o 22.97871 0.4807755 126.9000   5.300000 0.9179554      0.7382986 
1 1 1 16 13 6  o 24.86333 0.4694842 148.6000   5.600000 0.7266617E-01  0.6901543 
1 1 1 16 13 7  o 23.71576 0.5273591 135.3000   6.000000 -1.795986      0.7766870 
1 1 1 16 13 8  f 54.03428 0.3896227 701.4000   10.10000 0.6890831      0.6374956 
1 1 1 16 13 9  o 51.33129 0.4263824 633.2000   10.50000 -2.193991      0.6238164 
1 1 1 16 13 10 x ?        ?         ?          ?        0.6278439      0.6471986 
1 1 1 16 14 0  o 35.59980 0.5682845 304.4000   9.700000 0.000000       0.000000  
1 1 1 16 14 1  o 22.51647 0.4443581 121.8000   4.800000 0.8345490      0.6658973 
1 1 1 16 14 2  o 26.71522 0.4681495 171.5000   6.000000 0.2281704      0.7261028 
1 1 1 16 14 3  o 18.21282 0.5836940 79.80000   5.100000 -1.217947      0.8636349 
1 1 1 16 14 4  o 31.11268 0.4287801 232.6000   6.400000 0.3615360      0.6993778 
1 1 1 16 14 5  o 9.939622 1.109427  24.30000   5.200000 -2.212227      1.714378  
1 1 1 16 14 6  o 15.07218 0.6914905 54.80000   5.000000 0.1857805      1.054147  
1 1 1 16 14 7  o 15.33075 0.8325109 57.00000   6.100000 -0.3837566     1.066732  
1 1 1 16 14 8  o 46.32565 0.4454570 515.9000   9.900000 -0.7411976     0.6527453 
1 1 1 16 14 9  x ?        ?         ?          ?        1.143677       0.6097472 
1 1 1 16 14 10 x ?        ?         ?          ?        1.442774       0.8237166 
1 1 1 16 15 0  o 18.45576 0.8856053 82.40000   7.800000 -0.000000      0.000000  
1 1 1 16 15 1  o 27.29379 0.4735000 179.1000   6.200000 -0.9977055     0.7612071 
1 1 1 16 15 2  o 26.62429 0.5088942 170.5000   6.500000 -0.9397449     0.7658851 
1 1 1 16 15 3  o 11.19722 1.035599  30.50000   5.500000 -2.085385      1.527170  
1 1 1 16 15 4  o 19.04133 0.6239785 87.40000   5.700000 -0.7840109     0.9509175 
1 1 1 16 15 5  o 4.487778 1.768307  3.100000   5.600000 0.8674724      2.033128  
1 1 1 16 15 6  f 18.84880 0.6967052 85.80000   6.300000 -0.3569498     1.031898  
1 1 1 16 15 7  o 8.324368 1.507860  17.60000   5.800000 2.440936       1.848832  
1 1 1 16 15 8  o 54.96294 0.4095868 726.3000   10.80000 -1.606052      0.6077036 
1 1 1 16 15 9  x ?        ?         ?          ?        0.1930370      0.7737165 
1 1 1 16 16 0  o 59.42825 0.8175991 848.4000   23.30000 0.000000       0.000000  
1 1 1 16 16 1  o 13.19360 1.124732  42.80000   7.000000 0.000000       0.000000  
1 1 1 16 16 2  o 7.261000 2.340611  16.20000   7.200000 -0.000000      0.000000  
1 1 1 16 16 3  o 3.059982 2.034705  -2.200000  8.000000 0.000000       0.000000  
1 1 1 16 16 4  o 14.23832 1.190319  49.90000   8.000000 -0.000000      0.000000  
1 1 1 16 16 5  f 16.40475 0.9735360 65.50000   7.600000 0.000000       0.000000  
1 1 1 16 16 6  o 6.205177 2.807569  13.80000   9.000000 -0.000000      0.000000  
1 1 1 16 16 7  o 11.17519 1.924630  33.00000   9.400000 0.000000       0.000000  
1 1 1 16 16 8  x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 16 16 9  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 17 0  1  o 34.15954 0.4883938 280.1000   8.000000 -0.000000      0.000000  
1 1 1 17 0  2  o 17.71155 0.5780709 75.50000   4.900000 0.000000       0.000000  
1 1 1 17 0  3  o 44.14595 0.4770203 467.7000   10.10000 0.000000       0.000000  
1 1 1 17 0  4  o 76.86881 0.6292098 1418.000   23.20000 0.000000       0.000000  
1 1 1 17 0  5  o 13.85067 0.7116132 46.40000   4.700000 0.000000       0.000000  
1 1 1 17 0  6  o 18.40247 0.6703123 81.60000   5.900000 0.000000       0.000000  
1 1 1 17 0  7  o 30.08790 0.4782961 217.4000   6.900000 -0.000000      0.000000  
1 1 1 17 0  8  o 25.42955 0.5086714 155.4000   6.200000 0.000000       0.000000  
1 1 1 17 0  9  o 3.637061 1.994717  4.500000   5.000000 0.000000       0.000000  
1 1 1 17 0  10 o 10.81285 1.708325  30.40000   8.200000 0.000000       0.000000  
1 1 1 17 0  11 o 3.932652 2.522936  1.000000   10.80000 0.000000       0.000000  
1 1 1 17 0  12 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 17 1  0  o 46.71143 0.5758473 523.7000   12.90000 0.000000       0.000000  
1 1 1 17 1  1  o 6.731130 0.9558746 11.10000   3.000000 4.190682       1.475344  
1 1 1 17 1  2  o 63.89072 0.3882410 979.4000   11.90000 -3.051994      0.7947372 
1 1 1 17 1  3  o 75.38798 0.4755745 1363.800   17.20000 -2.594219      0.8854820 
1 1 1 17 1  4  o 11.01144 0.6272826 29.20000   3.300000 -1.546887      0.9872687 
1 1 1 17 1  5  o 43.98927 0.3696069 464.3000   7.800000 2.155704       0.6858910 
1 1 1 17 1  6  o 37.81399 0.3417680 343.1000   6.200000 -0.2585850     0.6874027 
1 1 1 17 1  7  o 60.99773 0.3758990 892.9000   11.00000 0.6179810E-03  0.7826631 
1 1 1 17 1  8  o 32.91621 0.3229628 260.0000   5.100000 -0.9813576     0.5771561 
1 1 1 17 1  9  o 10.58587 0.7732955 27.10000   3.900000 -0.1922250     1.276919  
1 1 1 17 1  10 o 11.56762 1.131720  32.60000   6.200000 -1.795307      1.721694  
1 1 1 17 1  11 o 20.26898 0.7301610 98.80000   7.100000 -0.3601990     1.083457  
1 1 1 17 1  12 x ?        ?         ?          ?        0.2125854      2.371519  
1 1 1 17 2  0  o 20.87235 0.5100083 104.7000   5.100000 0.000000       0.000000  
1 1 1 17 2  1  o 26.91547 0.3175222 173.8000   4.100000 2.686581       0.6115066 
1 1 1 17 2  2  o 71.05244 0.4547209 1211.400   15.50000 -0.7091942     0.8014051 
1 1 1 17 2  3  o 30.78680 0.3317598 227.4000   4.900000 -0.3767529     0.6076629 
1 1 1 17 2  4  o 33.17815 0.3266957 264.1000   5.200000 0.4094410      0.6415879 
1 1 1 17 2  5  f 45.04832 0.3285276 486.9000   7.100000 4.254974       0.6092992 
1 1 1 17 2  6  o 5.888352 1.065827  8.600000   2.900000 -2.321051      1.554176  
1 1 1 17 2  7  f 8.056111 0.8948418 15.80000   3.400000 -1.122588      1.445123  
1 1 1 17 2  8  f 14.98132 0.5426337 53.90000   3.900000 -1.664566      0.7694789 
1 1 1 17 2  9  o 20.88320 0.4192224 104.7000   4.200000 -2.230893      0.7225842 
1 1 1 17 2  10 o 23.41188 0.5876243 131.7000   6.600000 -0.8000851     0.8614207 
1 1 1 17 2  11 o 3.483847 1.622175  -6.000000  6.600000 -0.5705311     1.997784  
1 1 1 17 2  12 x ?        ?         ?          ?        -0.2055607     1.158695  
1 1 1 17 3  0  o 22.50653 0.5006830 121.7000   5.400000 -0.000000      0.000000  
1 1 1 17 3  1  o 45.59637 0.3474365 498.8000   7.600000 3.991798       0.6317708 
1 1 1 17 3  2  o 34.35126 0.3155389 283.1000   5.200000 0.4840412      0.5973603 
1 1 1 17 3  3  o 36.53863 0.3080589 320.3000   5.400000 -0.9077892     0.6274945 
1 1 1 17 3  4  o 46.95580 0.3418170 529.0000   7.700000 -2.106827      0.6631896 
1 1 1 17 3  5  o 25.21166 0.3307125 152.5000   4.000000 -0.3133793     0.5637071 
1 1 1 17 3  6  o 14.91575 0.4611701 53.40000   3.300000 -0.1880722     0.7578496 
1 1 1 17 3  7  o 24.23007 0.3871239 140.9000   4.500000 2.290102       0.6697553 
1 1 1 17 3  8  o 28.20710 0.3842705 191.0000   5.200000 -1.027851      0.6151051 
1 1 1 17 3  9  o 22.01849 0.4260074 116.4000   4.500000 2.610567       0.6383240 
1 1 1 17 3  10 o 19.69879 0.5079183 93.20000   4.800000 0.6601439      0.9933434 
1 1 1 17 3  11 o 8.690185 1.832677  19.10000   7.400000 -2.290958      2.315651  
1 1 1 17 3  12 x ?        ?         ?          ?        -0.2632761     2.242116  
1 1 1 17 4  0  o 29.24599 0.3992972 205.3000   5.600000 0.000000       0.000000  
1 1 1 17 4  1  o 33.01482 0.3093708 261.5000   4.900000 -1.527460      0.6132787 
1 1 1 17 4  2  o 43.44314 0.3262721 452.8000   6.800000 -2.898464      0.6918256 
1 1 1 17 4  3  o 24.02652 0.3296742 138.5000   3.800000 1.600967       0.6044689 
1 1 1 17 4  4  o 30.12297 0.3044718 217.7000   4.400000 -1.326315      0.5662555 
1 1 1 17 4  5  o 10.10235 0.6429778 24.60000   3.100000 0.4011970      1.089428  
1 1 1 17 4  6  o 15.39617 0.4738573 56.90000   3.500000 0.5027370      0.7362957 
1 1 1 17 4  7  f 19.71525 0.4334846 93.30000   4.100000 0.3174610      0.6790407 
1 1 1 17 4  8  o 28.15221 0.4220408 190.3000   5.700000 1.030441       0.6813000 
1 1 1 17 4  9  o 51.00184 0.3678314 624.4000   9.000000 -3.784817      0.7784908 
1 1 1 17 4  10 o 10.25511 1.009039  25.60000   4.900000 0.7902017      1.839989  
1 1 1 17 4  11 o 3.913819 1.759182  -3.200000  6.900000 0.9059677      1.954085  
1 1 1 17 4  12 x ?        ?         ?          ?        0.7060018      1.880623  
1 1 1 17 5  0  o 9.209945 0.9511762 21.00000   4.100000 0.000000       0.000000  
1 1 1 17 5  1  o 75.32157 0.4455523 1361.400   16.10000 -2.274746      0.9336591 
1 1 1 17 5  2  o 42.82472 0.3163814 440.0000   6.500000 1.113464       0.6241504 
1 1 1 17 5  3  o 9.125438 0.6670465 20.10000   2.900000 0.4355416      1.052337  
1 1 1 17 5  4  o 33.37196 0.3060600 267.2000   4.900000 4.376865       0.6289831 
1 1 1 17 5  5  o 14.53339 0.4876455 50.70000   3.400000 0.9345493      0.8274336 
1 1 1 17 5  6  o 42.37063 0.3345308 430.8000   6.800000 3.774973       0.6980530 
1 1 1 17 5  7  o 32.33873 0.3802956 251.0000   5.900000 1.970699       0.6472837 
1 1 1 17 5  8  o 12.95659 0.7268944 40.50000   4.500000 -0.2617760     1.280318  
1 1 1 17 5  9  o 18.77477 0.5551209 84.70000   5.000000 0.7197075      0.7104114 
1 1 1 17 5  10 o 12.77125 0.9201663 39.50000   5.600000 2.628806       1.530841  
1 1 1 17 5  11 o 9.813638 1.468218  23.90000   6.700000 1.584321       2.091401  
1 1 1 17 5  12 x ?        ?         ?          ?        -0.1948261     2.270886  
1 1 1 17 6  0  o 21.79270 0.4787673 114.1000   5.000000 0.000000       0.000000  
1 1 1 17 6  1  o 23.26835 0.3314578 129.9000   3.700000 -4.088593      0.6091808 
1 1 1 17 6  2  o 30.42544 0.3219980 222.1000   4.700000 0.2018776      0.6126089 
1 1 1 17 6  3  o 38.22655 0.3217207 350.6000   5.900000 -2.508883      0.6274719 
1 1 1 17 6  4  o 29.71790 0.3156360 211.9000   4.500000 -0.4780712     0.6190419 
1 1 1 17 6  5  o 10.44087 0.6825449 26.30000   3.400000 -0.4408836E-02 1.151409  
1 1 1 17 6  6  o 38.13408 0.3662298 349.0000   6.700000 -1.356201      0.6611862 
1 1 1 17 6  7  o 33.02361 0.4229046 261.8000   6.700000 -1.284918      0.6714142 
1 1 1 17 6  8  o 32.71974 0.3758671 257.0000   5.900000 2.553232       0.6221304 
1 1 1 17 6  9  o 16.01687 0.6637197 61.70000   5.100000 3.134701       0.9939457 
1 1 1 17 6  10 o 25.99925 0.4169027 162.3000   5.200000 1.419237       0.6617113 
1 1 1 17 6  11 x ?        ?         ?          ?        2.266089       1.949028  
1 1 1 17 6  12 x ?        ?         ?          ?        -3.260740      2.373989  
1 1 1 17 7  0  o 22.45240 0.4739544 121.1000   5.100000 0.000000       0.000000  
1 1 1 17 7  1  f 17.32216 0.3850704 72.00000   3.200000 -2.519953      0.6119903 
1 1 1 17 7  2  o 34.56805 0.3075300 286.7000   5.100000 -1.298613      0.6124822 
1 1 1 17 7  3  o 25.70128 0.3487433 158.5000   4.300000 -0.6434078     0.6070073 
1 1 1 17 7  4  o 17.52318 0.4401301 73.70000   3.700000 0.6332560      0.7615882 
1 1 1 17 7  5  o 23.78672 0.3943393 135.8000   4.500000 0.1293545      0.6383467 
1 1 1 17 7  6  o 19.73333 0.4859030 93.50000   4.600000 -2.623956      0.8191711 
1 1 1 17 7  7  o 38.39595 0.3908762 353.9000   7.200000 -1.622139      0.6819360 
1 1 1 17 7  8  o 22.00976 0.5303528 116.4000   5.600000 2.924895       0.7786862 
1 1 1 17 7  9  o 11.42574 0.9387165 31.70000   5.100000 3.853795       1.333926  
1 1 1 17 7  10 o 15.63772 0.6398233 58.80000   4.800000 0.8287621      0.9572952 
1 1 1 17 7  11 x ?        ?         ?          ?        -0.2049131     1.186974  
1 1 1 17 8  0  o 56.61174 0.5192626 769.1000   14.10000 0.000000       0.000000  
1 1 1 17 8  1  o 25.62907 0.3090600 157.6000   3.800000 0.1655960      0.5807648 
1 1 1 17 8  2  o 24.29252 0.3346449 141.6000   3.900000 1.535130       0.6061913 
1 1 1 17 8  3  o 8.014641 0.8449935 15.60000   3.200000 0.3285937      1.328720  
1 1 1 17 8  4  o 48.19588 0.3892466 557.5000   9.000000 -2.763992      0.6776618 
1 1 1 17 8  5  o 15.57986 0.5485453 58.30000   4.100000 1.604240       0.8520398 
1 1 1 17 8  6  o 69.42464 0.4954073 1157.500   16.50000 -2.141834      0.9015733 
1 1 1 17 8  7  o 31.66177 0.4213441 240.7000   6.400000 -1.573483      0.7013783 
1 1 1 17 8  8  o 34.41316 0.4118855 284.4000   6.800000 -0.7815571     0.7293621 
1 1 1 17 8  9  o 18.24631 0.6625903 80.10000   5.800000 0.2156487      1.045219  
1 1 1 17 8  10 o 35.75936 0.4255252 307.1000   7.300000 -0.6642342E-01 0.6887582 
1 1 1 17 8  11 x ?        ?         ?          ?        1.696947       0.9395902 
1 1 1 17 9  0  o 37.93586 0.4397073 345.4000   8.000000 0.000000       0.000000  
1 1 1 17 9  1  o 8.141218 0.8309673 16.10000   3.200000 0.8834391      1.204661  
1 1 1 17 9  2  o 26.59542 0.3291809 169.7000   4.200000 -3.078352      0.5995327 
1 1 1 17 9  3  o 66.50422 0.3761181 1061.500   12.00000 0.1296730      0.7334658 
1 1 1 17 9  4  o 40.23487 0.3263850 388.5000   6.300000 0.8399086      0.5929027 
1 1 1 17 9  5  f 21.14859 0.4632427 107.4000   4.700000 -0.3631210     0.6708841 
1 1 1 17 9  6  o 29.48207 0.4171441 208.7000   5.900000 2.561975       0.6526801 
1 1 1 17 9  7  o 58.06961 0.4092117 809.8000   11.40000 -2.154530      0.7095880 
1 1 1 17 9  8  o 22.75316 0.5771530 124.5000   6.300000 0.9024715      0.8482116 
1 1 1 17 9  9  o 24.22062 0.6110339 141.1000   7.100000 -2.823299      0.8221821 
1 1 1 17 9  10 o 29.81555 0.4684078 213.6000   6.700000 -2.040428      0.7127000 
1 1 1 17 9  11 x ?        ?         ?          ?        0.4100423      1.320040  
1 1 1 17 10 0  o 3.438733 1.952841  3.700000   5.000000 0.000000       0.000000  
1 1 1 17 10 1  o 52.35051 0.3384466 657.7000   8.500000 1.484108       0.6721067 
1 1 1 17 10 2  o 24.42598 0.3669515 143.2000   4.300000 0.3054199      0.6226718 
1 1 1 17 10 3  o 20.78230 0.4413176 103.7000   4.400000 3.019768       0.6986943 
1 1 1 17 10 4  o 20.75079 0.4520329 103.4000   4.500000 0.9213324      0.7335550 
1 1 1 17 10 5  o 29.41321 0.3826868 207.7000   5.400000 0.3414326      0.6469399 
1 1 1 17 10 6  o 13.31261 0.7388152 42.80000   4.700000 -0.2196274     1.093971  
1 1 1 17 10 7  o 38.76791 0.4086330 361.0000   7.600000 -1.507118      0.6846105 
1 1 1 17 10 8  o 27.43525 0.4786564 180.9000   6.300000 0.7449570      0.6904722 
1 1 1 17 10 9  o 25.09452 0.5399165 151.4000   6.500000 0.7769566      0.7398015 
1 1 1 17 10 10 x ?        ?         ?          ?        -0.3233204     0.6590020 
1 1 1 17 10 11 x ?        ?         ?          ?        0.9572520      1.367832  
1 1 1 17 11 0  o 7.499625 1.429267  14.90000   4.600000 -0.000000      0.000000  
1 1 1 17 11 1  o 27.04831 0.3390820 175.6000   4.400000 -2.424448      0.5766088 
1 1 1 17 11 2  o 34.19381 0.3901437 280.7000   6.400000 -2.719044      0.6022580 
1 1 1 17 11 3  o 21.90123 0.4568409 115.2000   4.800000 2.218298       0.7291135 
1 1 1 17 11 4  o 42.66445 0.3664268 437.0000   7.500000 0.2965088      0.6385702 
1 1 1 17 11 5  o 8.314933 1.214018  17.10000   4.700000 -0.2529511     1.772187  
1 1 1 17 11 6  f 36.16994 0.3803542 314.2000   6.600000 -1.036743      0.6367898 
1 1 1 17 11 7  o 8.510327 1.369056  18.10000   5.400000 0.8262043      1.988344  
1 1 1 17 11 8  o 16.21725 0.7326385 63.40000   5.700000 0.8772001      0.9966550 
1 1 1 17 11 9  o 48.34880 0.4181944 561.6000   9.700000 -0.3660297     0.6212510 
1 1 1 17 11 10 x ?        ?         ?          ?        -1.069036      0.7365922 
1 1 1 17 12 0  o 7.542894 1.746992  15.70000   5.500000 0.000000       0.000000  
1 1 1 17 12 1  o 21.54754 0.4159709 111.5000   4.300000 -1.219037      0.6736728 
1 1 1 17 12 2  o 35.64327 0.3508858 305.0000   6.000000 -0.5013943     0.6325035 
1 1 1 17 12 3  o 17.59017 0.5806550 74.40000   4.900000 0.8734646      0.9169737 
1 1 1 17 12 4  o 21.75033 0.4983445 113.7000   5.200000 -1.430981      0.7972967 
1 1 1 17 12 5  o 3.370822 1.471969  -0.9000000 4.500000 0.4748926      2.004777  
1 1 1 17 12 6  o 22.03590 0.5202643 116.8000   5.500000 1.789660       0.7951499 
1 1 1 17 12 7  o 11.28308 1.084874  31.20000   5.800000 -1.887404      1.650633  
1 1 1 17 12 8  o 48.61213 0.4287929 567.9000   10.00000 0.9098454      0.6256251 
1 1 1 17 12 9  o 47.65861 0.4242507 545.9000   9.700000 0.2200241      0.6286874 
1 1 1 17 12 10 x ?        ?         ?          ?        0.1431656      0.8041201 
1 1 1 17 13 0  o 8.868970 1.245680  20.00000   5.000000 0.000000       0.000000  
1 1 1 17 13 1  o 6.796537 1.304884  11.60000   4.100000 -0.4095268E-01 1.839731  
1 1 1 17 13 2  o 17.24212 0.5561081 71.50000   4.600000 0.6693783      0.8575218 
1 1 1 17 13 3  o 19.70547 0.5500581 93.40000   5.200000 -0.5824156     0.8487648 
1 1 1 17 13 4  o 8.432294 1.168522  17.50000   4.600000 -0.5383897     1.676854  
1 1 1 17 13 5  o 8.731734 1.279295  19.00000   5.200000 1.163439       1.862484  
1 1 1 17 13 6  o 13.70641 0.8250701 45.60000   5.400000 1.971900       1.150095  
1 1 1 17 13 7  o 19.43249 0.6865049 91.10000   6.400000 0.9191160      1.040289  
1 1 1 17 13 8  f 34.93211 0.5191426 293.6000   8.700000 -0.4663467     0.7248183 
1 1 1 17 13 9  x ?        ?         ?          ?        0.5114670      0.7463061 
1 1 1 17 13 10 x ?        ?         ?          ?        -1.656698      1.407391  
1 1 1 17 14 0  o 21.70162 0.8093798 113.6000   8.400000 0.000000       0.000000  
1 1 1 17 14 1  o 31.25275 0.4068494 234.7000   6.100000 1.129509       0.6618999 
1 1 1 17 14 2  o 22.21836 0.5441368 118.8000   5.800000 -0.3275166     0.8621851 
1 1 1 17 14 3  o 30.33080 0.4329611 220.9000   6.300000 1.330328       0.7096766 
1 1 1 17 14 4  o 43.53437 0.4069853 455.6000   8.500000 0.9949837      0.6737065 
1 1 1 17 14 5  o 18.73080 0.6120664 84.60000   5.500000 2.271240       0.9013588 
1 1 1 17 14 6  o 13.59800 0.8629007 45.00000   5.600000 -0.8977890E-02 1.298927  
1 1 1 17 14 7  o 28.24033 0.5240596 192.0000   7.100000 -1.004133      0.7661747 
1 1 1 17 14 8  o 22.07486 0.6987565 117.7000   7.400000 -0.4137154     0.9639261 
1 1 1 17 14 9  x ?        ?         ?          ?        -0.5030470     0.8961189 
1 1 1 17 15 0  o 16.14344 1.056251  63.50000   8.100000 0.000000       0.000000  
1 1 1 17 15 1  o 13.17714 0.8589056 42.00000   5.400000 1.291632       1.254003  
1 1 1 17 15 2  o 12.84639 0.8650128 40.20000   5.300000 0.8408642E-01  1.346170  
1 1 1 17 15 3  o 22.28161 0.5238821 119.6000   5.600000 1.500417       0.7952241 
1 1 1 17 15 4  o 5.261343 1.789341  6.600000   5.400000 -3.771994      1.836847  
1 1 1 17 15 5  o 11.36125 1.057943  31.80000   5.700000 2.982244       1.460150  
1 1 1 17 15 6  o 3.324812 1.533956  -4.100000  5.700000 -1.109970      1.906077  
1 1 1 17 15 7  o 22.58982 0.6828277 123.3000   7.400000 -2.082110      0.9655942 
1 1 1 17 15 8  x ?        ?         ?          ?        -1.614230      1.328517  
1 1 1 17 15 9  x ?        ?         ?          ?        0.4730597      1.464699  
1 1 1 17 16 0  o 4.811171 2.476123  8.300000   7.300000 0.000000       0.000000  
1 1 1 17 16 1  o 14.19991 0.8553946 49.20000   5.800000 2.547461       1.369811  
1 1 1 17 16 2  o 16.22943 0.7706196 63.90000   6.000000 0.4142637      1.021255  
1 1 1 17 16 3  o 8.595165 1.586281  19.10000   6.300000 0.9790034      1.769685  
1 1 1 17 16 4  o 8.001464 1.350630  16.30000   5.000000 -1.086442      1.814968  
1 1 1 17 16 5  o 10.12110 1.219040  25.60000   5.800000 2.489049       1.842082  
1 1 1 17 16 6  o 7.835845 1.673549  16.00000   6.100000 -0.2504892     1.977323  
1 1 1 17 16 7  o 14.03768 1.092583  48.70000   7.300000 -1.869394      1.412418  
1 1 1 17 16 8  x ?        ?         ?          ?        -1.679804      2.167554  
1 1 1 17 17 0  o 17.09875 1.309890  71.60000   10.60000 0.000000       0.000000  
1 1 1 17 17 1  o 17.37910 0.9663532 73.40000   8.000000 0.000000       0.000000  
1 1 1 17 17 2  f 11.99500 1.653470  36.80000   9.000000 0.000000       0.000000  
1 1 1 17 17 3  o 11.39704 1.943866  34.20000   9.700000 0.000000       0.000000  
1 1 1 17 17 4  o 10.59560 2.050582  30.20000   9.300000 0.000000       0.000000  
1 1 1 17 17 5  o 3.702502 2.395072  0.1000000  10.00000 0.000000       0.000000  
1 1 1 17 17 6  o 8.683599 2.947373  24.20000   11.00000 0.000000       0.000000  
1 1 1 17 17 7  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 17 17 8  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 18 0  0  o 48.73228 0.7103813 570.1000   16.60000 0.000000       0.000000  
1 1 1 18 0  1  o 83.08448 0.7929548 1656.900   31.60000 0.000000       0.000000  
1 1 1 18 0  2  o 70.00849 0.6134565 1176.200   20.60000 0.000000       0.000000  
1 1 1 18 0  3  o 31.64752 0.5338463 240.5000   8.100000 0.000000       0.000000  
1 1 1 18 0  4  o 3.969102 2.077255  5.500000   5.200000 0.000000       0.000000  
1 1 1 18 0  5  o 37.09312 0.4834633 330.3000   8.600000 0.000000       0.000000  
1 1 1 18 0  6  o 17.58094 0.6541531 74.50000   5.500000 0.000000       0.000000  
1 1 1 18 0  7  o 73.65238 0.5236323 1302.200   18.50000 0.000000       0.000000  
1 1 1 18 0  8  o 3.043780 1.871729  1.800000   5.300000 0.000000       0.000000  
1 1 1 18 0  9  o 1.746886 1.249489  -7.400000  4.800000 -0.000000      0.000000  
1 1 1 18 0  10 o 2.892138 1.970032  -4.600000  8.400000 0.000000       0.000000  
1 1 1 18 0  11 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 18 0  12 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 18 1  0  o 103.7616 0.9584234 2584.600   47.70000 -0.000000      0.000000  
1 1 1 18 1  1  o 46.91515 0.3509992 528.1000   7.900000 2.150997       0.6669289 
1 1 1 18 1  2  o 35.99734 0.3300627 310.9000   5.700000 3.519888       0.6327723 
1 1 1 18 1  3  o 16.13727 0.4908464 62.50000   3.800000 -2.645178      0.8161072 
1 1 1 18 1  4  o 61.69185 0.3919425 913.3000   11.60000 -1.459812      0.7570800 
1 1 1 18 1  5  o 42.24837 0.3256313 428.3000   6.600000 0.4654884      0.6166838 
1 1 1 18 1  6  o 44.94180 0.3432207 484.7000   7.400000 -0.4672241E-01 0.6440911 
1 1 1 18 1  7  o 29.21865 0.3566991 204.9000   5.000000 -0.2798538     0.6135786 
1 1 1 18 1  8  o 24.87964 0.3853948 148.6000   4.600000 -0.9806995     0.6730783 
1 1 1 18 1  9  o 14.44031 0.5196585 50.10000   3.600000 -0.7818317E-01 0.7746742 
1 1 1 18 1  10 o 3.355748 1.573858  -6.500000  6.400000 -1.340434      1.960045  
1 1 1 18 1  11 x ?        ?         ?          ?        1.994516       1.571932  
1 1 1 18 1  12 x ?        ?         ?          ?        -1.105127      2.367023  
1 1 1 18 2  0  o 50.11472 0.4992352 602.7000   12.00000 0.000000       0.000000  
1 1 1 18 2  1  f 66.64902 0.4534886 1066.000   14.50000 -0.9726982     0.9225032 
1 1 1 18 2  2  o 9.171009 0.6636161 20.30000   2.900000 0.2191963      1.047046  
1 1 1 18 2  3  o 29.78126 0.3219637 212.8000   4.600000 -2.635569      0.5950722 
1 1 1 18 2  4  o 38.27021 0.3540337 351.4000   6.500000 3.463726       0.7041014 
1 1 1 18 2  5  o 49.34477 0.3463896 584.3000   8.200000 0.2876472      0.6899040 
1 1 1 18 2  6  o 28.48297 0.3585939 194.7000   4.900000 2.111177       0.6501281 
1 1 1 18 2  7  o 13.47031 0.6189772 43.60000   4.000000 -2.877563      0.9753215 
1 1 1 18 2  8  o 3.612092 1.458019  1.400000   3.900000 1.005529       1.765831  
1 1 1 18 2  9  o 29.69982 0.4070675 211.8000   5.800000 -1.249321      0.6721028 
1 1 1 18 2  10 o 4.994775 1.650914  5.800000   4.600000 0.3999419      1.842786  
1 1 1 18 2  11 x ?        ?         ?          ?        0.8179283E-01  1.556192  
1 1 1 18 2  12 x ?        ?         ?          ?        -2.273850      2.341898  
1 1 1 18 3  0  o 10.59135 0.9006142 27.50000   4.500000 0.000000       0.000000  
1 1 1 18 3  1  o 37.07516 0.3317120 329.8000   5.900000 -0.6086903     0.6482478 
1 1 1 18 3  2  o 13.02171 0.5282483 40.70000   3.300000 -2.159732      0.8205224 
1 1 1 18 3  3  f 32.13655 0.3372844 247.8000   5.200000 0.1964798      0.6596447 
1 1 1 18 3  4  o 31.14976 0.3345857 232.8000   5.000000 1.614506       0.6225329 
1 1 1 18 3  5  o 4.488199 1.414158  4.800000   3.400000 1.207479       1.759683  
1 1 1 18 3  6  o 20.01878 0.4269121 96.20000   4.100000 -2.750675      0.6610027 
1 1 1 18 3  7  o 15.72420 0.5700225 59.40000   4.300000 0.1848593      0.8325351 
1 1 1 18 3  8  o 10.73500 0.8019012 27.90000   4.100000 2.271858       1.326269  
1 1 1 18 3  9  o 12.72794 0.7069949 39.10000   4.300000 0.3076496      1.101907  
1 1 1 18 3  10 o 13.92180 0.7817379 46.80000   5.200000 3.531562       1.119986  
1 1 1 18 3  11 x ?        ?         ?          ?        0.3514519      2.186755  
1 1 1 18 3  12 x ?        ?         ?          ?        -0.3345690     1.871368  
1 1 1 18 4  0  o 19.98319 0.5223584 96.00000   5.000000 0.000000       0.000000  
1 1 1 18 4  1  o 16.62185 0.4138344 66.30000   3.300000 0.2224817      0.6964270 
1 1 1 18 4  2  o 25.70141 0.3568518 158.5000   4.400000 -1.498652      0.6752519 
1 1 1 18 4  3  o 17.93532 0.4300162 77.20000   3.700000 2.154014       0.7386945 
1 1 1 18 4  4  o 26.81143 0.3498522 172.5000   4.500000 -0.3203087     0.6064399 
1 1 1 18 4  5  o 6.701431 1.095411  11.10000   3.400000 1.800007       1.610445  
1 1 1 18 4  6  o 7.120181 1.088483  12.50000   3.600000 0.4804535      1.727295  
1 1 1 18 4  7  o 41.73149 0.3496442 418.0000   7.000000 -1.041534      0.6507281 
1 1 1 18 4  8  o 44.08407 0.3877254 466.6000   8.200000 0.4247169      0.6684972 
1 1 1 18 4  9  o 15.18884 0.6724555 55.50000   4.900000 2.155391       0.9159526 
1 1 1 18 4  10 o 3.725561 1.596653  -0.2000000 5.100000 1.672999       1.976116  
1 1 1 18 4  11 x ?        ?         ?          ?        0.6161504      2.214666  
1 1 1 18 5  0  o 59.70739 0.5307438 855.5000   15.20000 -0.000000      0.000000  
1 1 1 18 5  1  o 51.78336 0.4105841 643.5000   10.20000 -2.263470      0.8140525 
1 1 1 18 5  2  f 46.53037 0.3359827 519.5000   7.500000 -0.6017685     0.6728336 
1 1 1 18 5  3  o 14.56165 0.4866989 50.90000   3.400000 2.050668       0.8068287 
1 1 1 18 5  4  o 26.10917 0.3752295 163.6000   4.700000 0.3712139      0.6782649 
1 1 1 18 5  5  f 20.97385 0.4273487 105.6000   4.300000 1.553714       0.6745315 
1 1 1 18 5  6  o 18.62464 0.4924442 83.30000   4.400000 2.083208       0.8024468 
1 1 1 18 5  7  o 14.30666 0.6265019 49.20000   4.300000 1.115308       0.9467702 
1 1 1 18 5  8  o 17.90727 0.5936533 77.10000   5.100000 0.9960165      0.8801447 
1 1 1 18 5  9  o 31.28210 0.4131311 235.0000   6.200000 -0.4768391     0.8224810 
1 1 1 18 5  10 o 5.077659 1.649597  6.100000   4.600000 2.135696       1.889551  
1 1 1 18 5  11 x ?        ?         ?          ?        0.6285911      1.410735  
1 1 1 18 6  0  o 6.028159 1.716004  10.60000   4.300000 0.000000       0.000000  
1 1 1 18 6  1  o 17.24854 0.4108835 71.40000   3.400000 -0.2960806     0.7125013 
1 1 1 18 6  2  o 27.02041 0.3548608 175.2000   4.600000 -1.767313      0.6672768 
1 1 1 18 6  3  o 20.34283 0.4098650 99.30000   4.000000 3.348708       0.6796220 
1 1 1 18 6  4  o 13.92848 0.5836506 46.60000   3.900000 -0.7668352     0.8755203 
1 1 1 18 6  5  o 12.95008 0.6277465 40.30000   3.900000 -1.462030      0.9627141 
1 1 1 18 6  6  o 16.38351 0.5852523 64.50000   4.600000 -0.5646381     0.8473984 
1 1 1 18 6  7  o 17.63866 0.6026937 74.80000   5.100000 3.010593       0.8372529 
1 1 1 18 6  8  o 12.25453 0.8732033 36.40000   5.100000 3.910014       1.407323  
1 1 1 18 6  9  f 17.05681 0.6599153 70.00000   5.400000 -0.2371740     0.9561299 
1 1 1 18 6  10 o 10.77217 0.9182332 28.20000   4.700000 2.565843       1.277405  
1 1 1 18 6  11 x ?        ?         ?          ?        3.393578       1.659827  
1 1 1 18 7  0  o 22.52470 0.4909928 121.9000   5.300000 0.000000       0.000000  
1 1 1 18 7  1  o 31.69093 0.3354497 241.0000   5.100000 -2.158270      0.6052611 
1 1 1 18 7  2  o 48.86957 0.3412272 573.0000   8.000000 0.6442261      0.6589949 
1 1 1 18 7  3  o 4.785433 1.492979  5.500000   3.800000 0.5824852      1.852228  
1 1 1 18 7  4  o 11.37053 0.7000208 31.20000   3.800000 -3.374758      1.156722  
1 1 1 18 7  5  o 12.28532 0.6813514 36.40000   4.000000 -0.1437378E-01 1.100634  
1 1 1 18 7  6  o 14.56443 0.6297254 51.00000   4.400000 -0.7561798     1.037744  
1 1 1 18 7  7  o 15.41526 0.7031446 57.20000   5.200000 1.812188       1.057222  
1 1 1 18 7  8  o 16.30405 0.6903834 64.00000   5.400000 1.957038       0.9809750 
1 1 1 18 7  9  o 20.07980 0.6332316 97.00000   6.100000 1.641682       0.8986840 
1 1 1 18 7  10 o 11.35945 0.9632735 31.40000   5.200000 0.7256284      1.433740  
1 1 1 18 7  11 x ?        ?         ?          ?        -0.1226678     2.119226  
1 1 1 18 8  0  o 20.69258 0.5954480 103.0000   5.900000 0.000000       0.000000  
1 1 1 18 8  1  o 47.40374 0.3561760 539.3000   8.100000 -1.503578      0.6426622 
1 1 1 18 8  2  o 10.90502 0.6917069 28.70000   3.600000 1.711446       1.108852  
1 1 1 18 8  3  o 9.736403 0.8653753 23.00000   4.000000 -2.714077      1.488565  
1 1 1 18 8  4  f 18.63548 0.4697867 83.40000   4.200000 -0.7901192E-02 0.7347077 
1 1 1 18 8  5  o 32.99126 0.3790919 261.3000   6.000000 -1.536926      0.6884255 
1 1 1 18 8  6  o 10.57286 1.079770  27.30000   5.400000 2.352181       1.435391  
1 1 1 18 8  7  o 18.94001 0.6053056 86.30000   5.500000 0.7364073      0.8890982 
1 1 1 18 8  8  o 11.51216 1.005962  32.30000   5.500000 -0.3556185     1.277647  
1 1 1 18 8  9  o 24.20670 0.5597189 140.9000   6.500000 1.171374       0.8010024 
1 1 1 18 8  10 x ?        ?         ?          ?        4.681604       0.8473170 
1 1 1 18 8  11 x ?        ?         ?          ?        -1.129711      2.112848  
1 1 1 18 9  0  o 13.68870 0.7668815 45.40000   5.000000 -0.000000      0.000000  
1 1 1 18 9  1  o 3.214672 1.358172  0.2000000  3.600000 0.4356482      1.839429  
1 1 1 18 9  2  o 13.74597 0.5610719 45.40000   3.700000 -1.020152      0.8369197 
1 1 1 18 9  3  o 10.73556 0.8018584 27.90000   4.100000 1.091199       1.234265  
1 1 1 18 9  4  o 7.313342 1.241478  13.30000   4.200000 -0.8805757     1.658254  
1 1 1 18 9  5  o 24.32281 0.4456374 142.1000   5.200000 0.8466263      0.7092536 
1 1 1 18 9  6  o 53.19719 0.3996719 679.7000   10.20000 -1.740284      0.7402392 
1 1 1 18 9  7  o 19.06672 0.6122153 87.50000   5.600000 -0.9648571     0.9007301 
1 1 1 18 9  8  o 16.19364 0.7208349 63.20000   5.600000 1.794914       1.120212  
1 1 1 18 9  9  o 44.98083 0.4309706 486.1000   9.300000 -1.508184      0.7875952 
1 1 1 18 9  10 x ?        ?         ?          ?        0.6011677      1.226445  
1 1 1 18 9  11 x ?        ?         ?          ?        -1.592152      1.661401  
1 1 1 18 10 0  o 38.83300 0.4725184 362.0000   8.800000 -0.000000      0.000000  
1 1 1 18 10 1  o 24.07689 0.4155592 139.2000   4.800000 1.481379       0.7060599 
1 1 1 18 10 2  o 25.02000 0.3832327 150.3000   4.600000 -2.453968      0.6202535 
1 1 1 18 10 3  o 20.82343 0.5205271 104.2000   5.200000 -2.511856      0.7429172 
1 1 1 18 10 4  o 8.871177 0.9302213 19.20000   3.900000 0.9036069      1.493359  
1 1 1 18 10 5  o 5.388861 1.613988  7.200000   4.500000 0.8505738      1.977646  
1 1 1 18 10 6  o 20.49122 0.5391383 101.0000   5.300000 0.6866493      0.7992817 
1 1 1 18 10 7  o 18.11928 0.6557314 79.10000   5.700000 1.235576       0.9372551 
1 1 1 18 10 8  o 21.11356 0.5923548 107.3000   6.000000 1.290661       0.8223698 
1 1 1 18 10 9  o 40.97316 0.4171637 403.4000   8.200000 -1.704878      0.6840498 
1 1 1 18 10 10 x ?        ?         ?          ?        1.899093       0.9923286 
1 1 1 18 11 0  f 19.44630 0.7528942 91.20000   7.000000 0.000000       0.000000  
1 1 1 18 11 1  o 14.14165 0.6043323 48.10000   4.100000 1.303591       0.8922049 
1 1 1 18 11 2  o 25.35458 0.4110605 154.4000   5.000000 0.4858303      0.7098654 
1 1 1 18 11 3  o 20.08921 0.4980473 97.00000   4.800000 -0.9910154     0.7598948 
1 1 1 18 11 4  o 22.65176 0.4509062 123.3000   4.900000 1.040579       0.7086785 
1 1 1 18 11 5  o 13.06783 0.8176154 41.40000   5.100000 1.559291       1.049969  
1 1 1 18 11 6  o 27.37550 0.4644724 180.2000   6.100000 -0.8555031E-01 0.7126030 
1 1 1 18 11 7  f 14.61189 0.8452724 51.80000   5.900000 -1.579471      1.133859  
1 1 1 18 11 8  o 33.88657 0.4736475 276.1000   7.700000 -1.162693      0.7187855 
1 1 1 18 11 9  o 36.73950 0.4538882 324.6000   8.000000 -2.213888      0.7309965 
1 1 1 18 11 10 x ?        ?         ?          ?        1.024347       1.971359  
1 1 1 18 12 0  o 7.579941 2.067613  16.60000   6.500000 -0.000000      0.000000  
1 1 1 18 12 1  o 15.31126 0.5717821 56.40000   4.200000 -0.2350016     0.9291003 
1 1 1 18 12 2  o 22.90320 0.4823606 126.1000   5.300000 0.1920300      0.7392340 
1 1 1 18 12 3  o 4.250028 1.660237  2.800000   4.900000 0.2590990      2.017844  
1 1 1 18 12 4  o 16.38613 0.6360418 64.70000   5.000000 1.492255       0.9382800 
1 1 1 18 12 5  o 8.552209 1.309067  18.30000   5.200000 1.845009       1.576930  
1 1 1 18 12 6  o 8.892420 1.330099  19.80000   5.500000 -0.6956882     1.636873  
1 1 1 18 12 7  o 24.62685 0.5840263 146.1000   6.900000 1.002566       0.8679077 
1 1 1 18 12 8  o 34.36406 0.4913294 284.1000   8.100000 1.129068       0.7059832 
1 1 1 18 12 9  x ?        ?         ?          ?        2.486753       0.7595313 
1 1 1 18 12 10 x ?        ?         ?          ?        -2.553550      1.962914  
1 1 1 18 13 0  o 10.79465 1.108118  28.90000   5.600000 -0.000000      0.000000  
1 1 1 18 13 1  o 17.85105 0.5488155 76.70000   4.700000 2.212806       0.8687466 
1 1 1 18 13 2  o 11.51929 0.8751183 32.30000   4.800000 -1.760798      1.420574  
1 1 1 18 13 3  o 20.99646 0.5063097 106.1000   5.100000 0.2959900      0.8072386 
1 1 1 18 13 4  o 34.21592 0.4142599 281.5000   6.800000 0.6982689      0.7154841 
1 1 1 18 13 5  o 7.805511 1.441765  15.50000   5.200000 0.1608396      1.990436  
1 1 1 18 13 6  o 10.50916 1.212315  27.40000   6.000000 -0.8160686E-01 1.696289  
1 1 1 18 13 7  o 20.83940 0.6601626 104.8000   6.600000 1.003048       0.8968837 
1 1 1 18 13 8  o 21.27763 0.7347341 109.5000   7.500000 0.6331854      0.9256328 
1 1 1 18 13 9  x ?        ?         ?          ?        -0.8356557     1.917383  
1 1 1 18 14 0  o 22.66837 0.7096224 123.8000   7.700000 -0.000000      0.000000  
1 1 1 18 14 1  o 18.39214 0.6120032 81.60000   5.400000 1.563212       0.8703251 
1 1 1 18 14 2  o 18.35713 0.6699452 81.40000   5.900000 -0.9874191     1.028268  
1 1 1 18 14 3  o 9.944467 1.265355  24.70000   5.900000 -0.6133332     1.690039  
1 1 1 18 14 4  o 22.29528 0.5703074 119.9000   6.100000 0.5157881      0.8295366 
1 1 1 18 14 5  o 23.20892 0.5568380 129.9000   6.200000 0.3977423      0.8295878 
1 1 1 18 14 6  o 12.39375 1.070064  37.80000   6.300000 -1.452483      1.580212  
1 1 1 18 14 7  o 23.53956 0.6375676 133.8000   7.200000 -0.2920399     0.9082394 
1 1 1 18 14 8  x ?        ?         ?          ?        1.707045       1.485543  
1 1 1 18 14 9  x ?        ?         ?          ?        -0.5819321     1.677396  
1 1 1 18 15 0  o 3.025967 1.941619  0.3000000  6.400000 0.000000       0.000000  
1 1 1 18 15 1  o 7.018068 1.659640  12.90000   5.500000 1.165937       2.106284  
1 1 1 18 15 2  o 11.16129 1.000432  30.70000   5.300000 0.8140092      1.322058  
1 1 1 18 15 3  o 8.290974 1.434705  17.60000   5.500000 1.003355       2.032220  
1 1 1 18 15 4  o 12.87431 0.8466439 40.50000   5.200000 0.5689898      1.223043  
1 1 1 18 15 5  o 13.21873 0.9203395 42.80000   5.800000 0.1315413      1.397422  
1 1 1 18 15 6  o 14.74548 0.8374916 53.00000   5.900000 -4.317801      1.197875  
1 1 1 18 15 7  o 7.489349 1.975474  15.10000   7.200000 -0.8774216     2.218238  
1 1 1 18 15 8  x ?        ?         ?          ?        2.397065       1.602233  
1 1 1 18 16 0  o 7.845555 2.453245  18.80000   8.100000 -0.000000      0.000000  
1 1 1 18 16 1  o 15.65897 0.7454471 59.60000   5.600000 -0.1160240E-01 1.106730  
1 1 1 18 16 2  f 6.242908 1.953431  10.30000   6.500000 -1.348914      2.202680  
1 1 1 18 16 3  o 3.029190 1.424385  -5.100000  5.300000 0.5662568      1.820828  
1 1 1 18 16 4  o 10.98982 1.075961  30.00000   5.600000 -1.615859      1.504505  
1 1 1 18 16 5  o 4.538541 1.785389  3.500000   5.700000 0.5046325      1.941107  
1 1 1 18 16 6  o 14.59129 0.9915909 52.50000   6.900000 1.011097       1.340088  
1 1 1 18 16 7  x ?        ?         ?          ?        0.9205852      2.204721  
1 1 1 18 16 8  x ?        ?         ?          ?        0.8456135E-01  1.944700  
1 1 1 18 17 0  o 5.226148 2.722385  9.900000   8.900000 0.000000       0.000000  
1 1 1 18 17 1  o 12.35549 1.125820  38.20000   6.600000 1.388883       1.695378  
1 1 1 18 17 2  o 8.449486 1.637985  18.90000   6.400000 -0.2837119     2.178122  
1 1 1 18 17 3  o 9.927649 1.313000  25.10000   6.100000 -0.6953182     1.721244  
1 1 1 18 17 4  o 10.29070 1.392929  27.10000   6.700000 1.521516       1.913472  
1 1 1 18 17 5  o 3.591239 1.635349  -2.900000  6.200000 -0.2934964     1.993310  
1 1 1 18 17 6  x ?        ?         ?          ?        -1.684880      2.079409  
1 1 1 18 17 7  x ?        ?         ?          ?        1.022903       2.148813  
1 1 1 18 18 0  o 8.223374 3.177462  22.50000   11.90000 0.000000       0.000000  
1 1 1 18 18 1  o 4.618100 2.594534  7.200000   8.700000 0.000000       0.000000  
1 1 1 18 18 2  o 3.275442 2.175378  -2.200000  9.100000 0.000000       0.000000  
1 1 1 18 18 3  o 5.222174 2.825798  9.800000   9.900000 -0.000000      0.000000  
1 1 1 18 18 4  o 2.440752 1.753577  -16.20000  9.900000 0.000000       0.000000  
1 1 1 18 18 5  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 18 18 6  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 19 0  1  o 24.26155 0.4987880 141.4000   5.800000 -0.000000      0.000000  
1 1 1 19 0  2  o 32.31298 0.5099012 250.7000   7.900000 0.000000       0.000000  
1 1 1 19 0  3  o 45.64483 0.5253249 500.1000   11.50000 0.000000       0.000000  
1 1 1 19 0  4  o 4.708350 2.092650  7.700000   5.000000 0.000000       0.000000  
1 1 1 19 0  5  o 6.204140 2.236831  12.30000   6.100000 -0.000000      0.000000  
1 1 1 19 0  6  o 12.79677 1.076295  40.20000   6.500000 0.000000       0.000000  
1 1 1 19 0  7  o 2.104147 1.471299  -5.500000  5.500000 0.000000       0.000000  
1 1 1 19 0  8  o 5.552247 2.279772  10.50000   6.000000 0.000000       0.000000  
1 1 1 19 0  9  o 3.075661 1.890374  1.900000   5.400000 -0.000000      0.000000  
1 1 1 19 0  10 o 9.586745 1.558674  24.00000   6.600000 0.000000       0.000000  
1 1 1 19 0  11 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 19 1  0  o 8.604728 1.267734  18.90000   4.900000 0.000000       0.000000  
1 1 1 19 1  1  o 38.81353 0.3544483 361.5000   6.600000 -2.324806      0.7040972 
1 1 1 19 1  2  o 35.67485 0.3447323 305.4000   5.900000 0.3442879      0.6607313 
1 1 1 19 1  3  o 46.66859 0.3796526 522.7000   8.500000 0.7415924      0.7141567 
1 1 1 19 1  4  o 27.64218 0.3921238 183.4000   5.200000 -2.376848      0.6451015 
1 1 1 19 1  5  o 28.85822 0.3828235 199.9000   5.300000 1.467241       0.6517786 
1 1 1 19 1  6  o 9.273236 0.8874874 20.90000   3.900000 1.250711       1.235837  
1 1 1 19 1  7  o 13.76990 0.6357855 45.60000   4.200000 -2.638400      1.004429  
1 1 1 19 1  8  o 9.746022 0.8865926 23.10000   4.100000 -0.4137001     1.337076  
1 1 1 19 1  9  o 11.53985 0.7445589 32.20000   4.100000 0.6343889      1.091933  
1 1 1 19 1  10 o 11.92541 1.005693  34.60000   5.700000 -0.2851386     1.723383  
1 1 1 19 1  11 x ?        ?         ?          ?        0.5751271      2.291484  
1 1 1 19 2  0  o 66.18493 0.6520761 1051.400   20.70000 0.000000       0.000000  
1 1 1 19 2  1  o 12.05324 0.6596637 35.00000   3.800000 -0.4477673     1.004820  
1 1 1 19 2  2  o 22.22038 0.4033752 118.5000   4.300000 -0.3801136     0.7084271 
1 1 1 19 2  3  o 33.66031 0.3467864 271.9000   5.600000 0.1950474      0.6563607 
1 1 1 19 2  4  o 7.043193 1.197056  12.30000   3.900000 1.546069       1.730458  
1 1 1 19 2  5  o 21.10149 0.4247639 106.9000   4.300000 -1.229553      0.6835737 
1 1 1 19 2  6  o 17.94924 0.5342000 77.40000   4.600000 -3.967413      0.8296614 
1 1 1 19 2  7  o 10.80237 0.8560452 28.30000   4.400000 -0.1547813E-01 1.461658  
1 1 1 19 2  8  o 29.95012 0.3827862 215.4000   5.500000 0.3529625      0.6384816 
1 1 1 19 2  9  o 2.459433 1.196414  -7.900000  4.500000 0.4291584      1.540585  
1 1 1 19 2  10 o 21.33158 0.5569856 109.4000   5.700000 1.692479       0.8524548 
1 1 1 19 2  11 x ?        ?         ?          ?        -2.539462      2.112938  
1 1 1 19 3  0  o 2.412519 1.577220  -0.6000000 4.500000 0.000000       0.000000  
1 1 1 19 3  1  o 10.59988 0.6720828 27.10000   3.400000 -0.5711975     1.115779  
1 1 1 19 3  2  o 46.20383 0.3564029 512.2000   7.900000 -0.8861008     0.7162695 
1 1 1 19 3  3  o 14.99573 0.5282119 54.00000   3.800000 -1.406100      0.8661642 
1 1 1 19 3  4  f 16.53840 0.5545635 65.70000   4.400000 0.6274652      0.8207530 
1 1 1 19 3  5  o 19.19712 0.4777587 88.50000   4.400000 -0.1245556     0.7372126 
1 1 1 19 3  6  o 40.74816 0.3734281 398.6000   7.300000 2.074945       0.7091257 
1 1 1 19 3  7  o 14.77362 0.6349182 52.50000   4.500000 1.631834       0.9017805 
1 1 1 19 3  8  o 11.76424 0.7841088 33.50000   4.400000 0.5814528      1.215931  
1 1 1 19 3  9  o 17.46002 0.5730451 73.30000   4.800000 -0.3902330     0.8795870 
1 1 1 19 3  10 o 5.384816 1.468948  7.300000   3.900000 0.9930444E-01  1.762806  
1 1 1 19 3  11 x ?        ?         ?          ?        -2.056685      2.242884  
1 1 1 19 4  0  o 2.157387 1.456956  -2.100000  4.400000 -0.000000      0.000000  
1 1 1 19 4  1  o 3.241352 1.363193  0.3000000  3.600000 -0.6913509     1.901416  
1 1 1 19 4  2  o 39.69175 0.3571090 378.0000   6.800000 0.1814899      0.7030291 
1 1 1 19 4  3  o 32.51989 0.3397183 253.8000   5.300000 0.8361683      0.6015387 
1 1 1 19 4  4  o 21.53126 0.4259665 111.3000   4.400000 -0.3451777     0.6758046 
1 1 1 19 4  5  o 18.83474 0.4869510 85.20000   4.400000 2.493435       0.8262741 
1 1 1 19 4  6  o 9.576339 0.9030998 22.30000   4.100000 -1.541605      1.512597  
1 1 1 19 4  7  o 9.342849 1.091486  21.40000   4.800000 -1.631309      1.315992  
1 1 1 19 4  8  o 20.87070 0.5093605 104.7000   5.100000 1.004492       0.7685825 
1 1 1 19 4  9  o 5.709651 1.699307  8.100000   5.000000 1.758529       1.936997  
1 1 1 19 4  10 o 6.851710 1.325670  11.80000   4.200000 1.151935       1.895807  
1 1 1 19 4  11 x ?        ?         ?          ?        -0.7274647     1.279881  
1 1 1 19 5  0  o 29.28843 0.5056456 206.0000   7.100000 0.000000       0.000000  
1 1 1 19 5  1  o 29.75278 0.3713133 212.4000   5.300000 -0.4871960     0.6941119 
1 1 1 19 5  2  o 6.976879 1.240520  12.10000   4.000000 0.1127081      1.666418  
1 1 1 19 5  3  o 28.58951 0.3864215 196.2000   5.300000 2.931055       0.6879882 
1 1 1 19 5  4  o 7.948248 1.048371  15.50000   3.900000 1.522298       1.656482  
1 1 1 19 5  5  o 7.120641 1.214506  12.60000   4.000000 0.2292180      1.821316  
1 1 1 19 5  6  o 19.61181 0.4782852 92.40000   4.500000 -0.3005991     0.7506945 
1 1 1 19 5  7  o 14.83782 0.6743156 53.00000   4.800000 -0.4698515     1.046019  
1 1 1 19 5  8  o 3.456310 1.528849  -1.500000  5.000000 0.5519757      1.711517  
1 1 1 19 5  9  o 6.004759 1.781136  9.000000   5.500000 0.7443080      1.971597  
1 1 1 19 5  10 x ?        ?         ?          ?        -2.223966      1.672174  
1 1 1 19 5  11 x ?        ?         ?          ?        -0.1463184     1.843024  
1 1 1 19 6  0  o 31.77641 0.5448204 242.5000   8.300000 0.000000       0.000000  
1 1 1 19 6  1  o 21.71480 0.4223661 113.2000   4.400000 -1.082613      0.6969425 
1 1 1 19 6  2  o 20.21328 0.4434288 98.10000   4.300000 -0.6884422     0.7217401 
1 1 1 19 6  3  o 21.84552 0.4580058 114.6000   4.800000 -0.2360592     0.6789146 
1 1 1 19 6  4  o 19.94169 0.4494678 95.50000   4.300000 -1.074579      0.7211708 
1 1 1 19 6  5  o 3.076925 1.371419  -1.600000  4.100000 -0.4491315     1.767461  
1 1 1 19 6  6  o 4.566391 1.577277  4.600000   4.200000 -0.3289108     1.879687  
1 1 1 19 6  7  o 26.21283 0.4453139 165.1000   5.600000 1.268327       0.7105621 
1 1 1 19 6  8  o 29.57603 0.4510579 210.2000   6.400000 1.145105       0.6591321 
1 1 1 19 6  9  o 23.09589 0.5776136 128.3000   6.400000 0.5739288      0.8442036 
1 1 1 19 6  10 x ?        ?         ?          ?        1.626865       1.981930  
1 1 1 19 6  11 x ?        ?         ?          ?        0.5816388      2.179888  
1 1 1 19 7  0  o 22.72285 0.5327172 124.1000   5.800000 0.000000       0.000000  
1 1 1 19 7  1  o 35.94862 0.3595022 310.2000   6.200000 0.5014725      0.6730850 
1 1 1 19 7  2  o 14.40760 0.6221124 49.90000   4.300000 -2.078531      1.002121  
1 1 1 19 7  3  o 38.24185 0.3815498 351.1000   7.000000 0.3403988      0.7434224 
1 1 1 19 7  4  o 15.27546 0.6004136 56.10000   4.400000 0.5274801      0.8900045 
1 1 1 19 7  5  o 15.21580 0.6438656 55.70000   4.700000 -1.049544      1.065650  
1 1 1 19 7  6  o 13.59761 0.7541033 44.70000   4.900000 1.232250       1.120195  
1 1 1 19 7  7  f 5.771464 1.650527  8.400000   4.800000 0.2245765      1.989837  
1 1 1 19 7  8  o 11.31205 0.9864957 31.20000   5.300000 -0.4409499     1.457500  
1 1 1 19 7  9  o 17.69780 0.7420162 75.50000   6.300000 3.855150       1.080193  
1 1 1 19 7  10 x ?        ?         ?          ?        4.510327       1.502140  
1 1 1 19 8  0  o 13.42535 0.9261698 43.90000   5.900000 -0.000000      0.000000  
1 1 1 19 8  1  o 6.997616 1.236758  12.20000   4.000000 4.906517       1.548257  
1 1 1 19 8  2  o 39.69347 0.3308367 378.2000   6.300000 1.126104       0.6310445 
1 1 1 19 8  3  o 24.62962 0.4400862 145.7000   5.200000 -0.4388371     0.7115580 
1 1 1 19 8  4  o 15.61794 0.6673266 58.70000   5.000000 -0.5109873     0.9375862 
1 1 1 19 8  5  o 25.09232 0.4651996 151.3000   5.600000 0.7113628      0.7409751 
1 1 1 19 8  6  o 22.87807 0.5375573 125.9000   5.900000 0.8636456      0.8504841 
1 1 1 19 8  7  o 7.459670 1.477349  14.10000   5.100000 0.3632560      1.907399  
1 1 1 19 8  8  o 12.77951 0.9195572 39.70000   5.600000 0.4486761      1.272978  
1 1 1 19 8  9  o 31.85599 0.4842089 244.0000   7.400000 2.097919       0.7997098 
1 1 1 19 8  10 x ?        ?         ?          ?        1.442139       2.052257  
1 1 1 19 9  0  o 8.747970 1.712633  20.40000   6.400000 -0.000000      0.000000  
1 1 1 19 9  1  o 21.27063 0.4703845 108.7000   4.800000 2.481420       0.7257341 
1 1 1 19 9  2  o 20.52127 0.4977189 101.2000   4.900000 -1.124108      0.7829499 
1 1 1 19 9  3  o 31.00186 0.3765238 230.8000   5.600000 0.4830742      0.6081806 
1 1 1 19 9  4  o 27.87017 0.4188327 186.6000   5.600000 2.975964       0.6871310 
1 1 1 19 9  5  o 7.739859 1.196655  14.90000   4.300000 -0.3057165     1.817714  
1 1 1 19 9  6  f 5.900274 1.726922  8.800000   5.200000 -0.1975405     2.060438  
1 1 1 19 9  7  o 33.12518 0.4467785 263.8000   7.100000 0.8720837      0.7150303 
1 1 1 19 9  8  o 20.41285 0.6535345 100.4000   6.400000 2.678097       0.9749746 
1 1 1 19 9  9  o 28.51598 0.5263036 195.7000   7.200000 3.229228       0.7855260 
1 1 1 19 9  10 x ?        ?         ?          ?        0.6612868      2.010014  
1 1 1 19 10 0  o 17.58028 0.7380779 74.60000   6.200000 -0.000000      0.000000  
1 1 1 19 10 1  o 17.48150 0.5604169 73.50000   4.700000 -1.378251      0.8375013 
1 1 1 19 10 2  o 21.55807 0.4737817 111.7000   4.900000 -1.030011      0.7454448 
1 1 1 19 10 3  o 6.900782 1.347204  12.00000   4.300000 2.874101       1.661872  
1 1 1 19 10 4  o 19.13934 0.5227650 88.00000   4.800000 1.768500       0.7817804 
1 1 1 19 10 5  o 10.80164 0.9554354 28.50000   4.900000 1.487163       1.478984  
1 1 1 19 10 6  o 18.41854 0.6450773 81.80000   5.700000 1.485127       1.041167  
1 1 1 19 10 7  o 7.017320 1.709032  12.70000   5.700000 1.213305       2.037049  
1 1 1 19 10 8  o 21.54388 0.5998738 111.8000   6.200000 -1.607886      0.9163753 
1 1 1 19 10 9  x ?        ?         ?          ?        -0.8280468E-01 2.081409  
1 1 1 19 10 10 x ?        ?         ?          ?        0.5119133      2.128843  
1 1 1 19 11 0  o 2.486131 1.668404  -2.200000  5.600000 0.000000       0.000000  
1 1 1 19 11 1  o 12.28909 0.7843353 36.60000   4.600000 0.2867918      1.206773  
1 1 1 19 11 2  o 23.13719 0.4594643 128.7000   5.100000 -0.9624958     0.7169683 
1 1 1 19 11 3  o 14.25474 0.7188360 49.00000   4.900000 -0.1068058     1.128009  
1 1 1 19 11 4  f 12.19774 0.8599495 36.20000   5.000000 1.637409       1.204957  
1 1 1 19 11 5  o 15.59672 0.7484224 58.80000   5.600000 2.791262       1.072267  
1 1 1 19 11 6  o 7.756825 1.450702  15.30000   5.200000 -0.8786082     1.690820  
1 1 1 19 11 7  o 9.436249 1.365056  22.30000   6.000000 0.5541806      1.843871  
1 1 1 19 11 8  o 14.41615 0.9597895 50.70000   6.600000 0.5658169      1.374151  
1 1 1 19 11 9  x ?        ?         ?          ?        0.8770790      1.576499  
1 1 1 19 12 0  o 9.406480 1.602090  23.10000   6.600000 0.000000       0.000000  
1 1 1 19 12 1  o 3.888193 1.543963  2.100000   4.300000 1.968827       1.842150  
1 1 1 19 12 2  o 9.482945 1.004439  22.10000   4.500000 -1.066096      1.493487  
1 1 1 19 12 3  o 10.57139 1.059300  27.50000   5.300000 0.2162342      1.357599  
1 1 1 19 12 4  o 22.14314 0.5177447 118.1000   5.500000 1.311961       0.8297670 
1 1 1 19 12 5  o 27.88193 0.4934161 187.2000   6.600000 3.194572       0.7611334 
1 1 1 19 12 6  o 11.09617 1.123836  30.40000   5.900000 -0.3833957     1.388345  
1 1 1 19 12 7  o 13.74493 0.9924142 46.20000   6.500000 -3.503473      1.455641  
1 1 1 19 12 8  x ?        ?         ?          ?        1.339550       1.393254  
1 1 1 19 12 9  x ?        ?         ?          ?        -1.397223      2.064317  
1 1 1 19 13 0  o 14.38446 1.056450  50.60000   7.200000 0.000000       0.000000  
1 1 1 19 13 1  o 3.459250 1.507622  -0.6000000 4.700000 -0.2021725     1.848207  
1 1 1 19 13 2  o 9.702779 1.002682  23.20000   4.600000 -0.5389490     1.541023  
1 1 1 19 13 3  o 12.58517 0.8834245 38.70000   5.300000 1.827322       1.231468  
1 1 1 19 13 4  o 24.00815 0.5035719 138.9000   5.800000 -0.8082409     0.7811770 
1 1 1 19 13 5  o 9.760592 1.222759  23.80000   5.600000 1.762241       1.692988  
1 1 1 19 13 6  o 17.48166 0.7988850 74.10000   6.700000 -0.2738829     1.103910  
1 1 1 19 13 7  o 13.43035 1.064103  44.40000   6.800000 1.910110       1.743057  
1 1 1 19 13 8  x ?        ?         ?          ?        0.9484892      2.218606  
1 1 1 19 13 9  x ?        ?         ?          ?        -0.5889487E-01 1.944781  
1 1 1 19 14 0  o 4.807013 2.475650  8.300000   7.300000 0.000000       0.000000  
1 1 1 19 14 1  o 4.683230 1.751451  4.500000   5.300000 0.5313091      2.015524  
1 1 1 19 14 2  o 7.342710 1.606046  14.10000   5.500000 2.652900       1.938381  
1 1 1 19 14 3  o 16.04222 0.7666190 62.50000   5.900000 -0.2627563     1.054339  
1 1 1 19 14 4  f 6.589439 1.831824  11.50000   6.000000 -0.7077341     2.129178  
1 1 1 19 14 5  o 12.41458 0.9818529 37.90000   5.800000 -1.582192      1.397565  
1 1 1 19 14 6  o 11.09796 1.143304  30.60000   6.000000 2.634277       1.563172  
1 1 1 19 14 7  x ?        ?         ?          ?        0.7791600      2.037733  
1 1 1 19 14 8  x ?        ?         ?          ?        -0.1750755E-01 1.731790  
1 1 1 19 15 0  o 2.947199 1.945389  -1.400000  7.100000 0.000000       0.000000  
1 1 1 19 15 1  o 13.48914 0.8072554 44.50000   5.200000 -3.449150      1.320306  
1 1 1 19 15 2  o 10.19592 1.231117  26.20000   5.900000 -0.3409519     1.904395  
1 1 1 19 15 3  o 13.70617 0.8405057 46.00000   5.500000 -0.2818651     1.214766  
1 1 1 19 15 4  o 6.850438 1.635333  12.40000   5.300000 0.3734236      2.047146  
1 1 1 19 15 5  o 5.415383 1.913271  7.000000   6.200000 0.9377403      2.124968  
1 1 1 19 15 6  o 10.74289 1.328309  29.30000   6.700000 -0.6455092     1.913182  
1 1 1 19 15 7  x ?        ?         ?          ?        2.097752       2.078258  
1 1 1 19 15 8  x ?        ?         ?          ?        0.8203700      1.918262  
1 1 1 19 16 0  o 6.922489 2.837604  16.50000   9.300000 -0.000000      0.000000  
1 1 1 19 16 1  o 5.148776 1.948330  5.800000   6.600000 1.519971       2.179628  
1 1 1 19 16 2  f 9.196092 1.670883  22.40000   7.100000 -1.194778      2.121629  
1 1 1 19 16 3  o 3.788301 1.655396  -0.4000000 5.700000 -0.5459776     2.025208  
1 1 1 19 16 4  o 3.434927 1.560315  -2.600000  5.600000 2.281060       1.975150  
1 1 1 19 16 5  o 8.229313 1.577184  17.90000   6.000000 -0.5932779     1.967736  
1 1 1 19 16 6  x ?        ?         ?          ?        -1.681612      2.061068  
1 1 1 19 16 7  x ?        ?         ?          ?        0.9070821      2.181470  
1 1 1 19 17 0  f 17.68972 1.190724  76.60000   10.00000 0.000000       0.000000  
1 1 1 19 17 1  o 3.568961 1.618842  -2.400000  6.000000 -0.6418500     2.019809  
1 1 1 19 17 2  o 6.814954 1.950393  12.90000   6.700000 0.6581626      2.290620  
1 1 1 19 17 3  o 5.073069 1.930193  5.700000   6.500000 -0.9886973     2.092152  
1 1 1 19 17 4  o 3.553781 1.663847  -5.400000  7.100000 2.010705       1.990879  
1 1 1 19 17 5  x ?        ?         ?          ?        0.9882045      1.871819  
1 1 1 19 17 6  x ?        ?         ?          ?        -0.1722183     2.055799  
1 1 1 19 18 0  f 4.237749 2.460494  5.600000   8.200000 0.000000       0.000000  
1 1 1 19 18 1  o 8.256006 1.597868  18.50000   6.100000 -0.2722836E-01 2.217235  
1 1 1 19 18 2  o 6.544609 1.877152  12.20000   6.200000 1.208817       2.216412  
1 1 1 19 18 3  x ?        ?         ?          ?        0.7761152      2.171355  
1 1 1 19 18 4  x ?        ?         ?          ?        0.8787148      2.079141  
1 1 1 19 18 5  x ?        ?         ?          ?        0.1212804      2.009400  
1 1 1 19 18 6  x ?        ?         ?          ?        -0.9319615     2.327795  
1 1 1 19 19 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 19 19 1  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 19 19 2  x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 19 19 3  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 19 19 4  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 19 19 5  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 20 0  0  o 35.10231 0.7787726 296.1000   13.10000 0.000000       0.000000  
1 1 1 20 0  1  o 30.34929 0.5154511 221.2000   7.500000 0.000000       0.000000  
1 1 1 20 0  2  o 15.29311 0.7954543 56.60000   5.800000 0.000000       0.000000  
1 1 1 20 0  3  o 10.72901 1.315843  28.90000   6.500000 -0.000000      0.000000  
1 1 1 20 0  4  o 14.83708 0.9936541 53.60000   7.000000 0.000000       0.000000  
1 1 1 20 0  5  o 37.47060 0.5342834 337.2000   9.600000 0.000000       0.000000  
1 1 1 20 0  6  o 25.49059 0.6798124 156.4000   8.300000 0.000000       0.000000  
1 1 1 20 0  7  o 20.44526 0.6951009 100.8000   6.800000 -0.000000      0.000000  
1 1 1 20 0  8  o 4.209606 2.223617  6.300000   6.000000 0.000000       0.000000  
1 1 1 20 0  9  o 21.24191 0.7182046 108.9000   7.300000 0.000000       0.000000  
1 1 1 20 0  10 x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 20 0  11 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 20 1  0  o 2.337049 1.596355  -3.500000  5.600000 0.000000       0.000000  
1 1 1 20 1  1  o 19.84920 0.4515623 94.60000   4.300000 -0.1645842     0.7523203 
1 1 1 20 1  2  o 15.26773 0.5461068 56.00000   4.000000 -1.811758      0.8607830 
1 1 1 20 1  3  o 11.08207 0.7760770 29.70000   4.100000 0.3513641      1.188264  
1 1 1 20 1  4  o 19.28950 0.5295017 89.40000   4.900000 -1.258857      0.7698328 
1 1 1 20 1  5  o 16.62881 0.6267594 66.50000   5.000000 -1.482929      0.9664828 
1 1 1 20 1  6  o 19.97379 0.5217972 95.90000   5.000000 -0.2330894     0.8056655 
1 1 1 20 1  7  o 7.356815 1.233689  13.50000   4.200000 1.335546       1.699723  
1 1 1 20 1  8  o 24.82751 0.4281827 148.1000   5.100000 2.215217       0.6987449 
1 1 1 20 1  9  o 8.259396 1.086322  16.80000   4.200000 1.062655       1.672648  
1 1 1 20 1  10 x ?        ?         ?          ?        2.267813       1.025831  
1 1 1 20 1  11 x ?        ?         ?          ?        0.4973283      2.286485  
1 1 1 20 2  0  o 3.013726 1.853598  1.700000   5.200000 0.000000       0.000000  
1 1 1 20 2  1  o 15.46843 0.6063988 57.50000   4.500000 0.1720800      0.8455266 
1 1 1 20 2  2  o 30.09236 0.4017574 217.4000   5.800000 0.3146362E-01  0.6764057 
1 1 1 20 2  3  o 23.31156 0.4470858 130.5000   5.000000 0.2604046      0.7548045 
1 1 1 20 2  4  o 11.67858 0.8081521 33.00000   4.500000 -0.7233353     1.220857  
1 1 1 20 2  5  o 13.20246 0.7450975 42.10000   4.700000 1.238492       1.150331  
1 1 1 20 2  6  o 28.16241 0.4070850 190.5000   5.500000 -0.7744656     0.7219611 
1 1 1 20 2  7  o 28.24875 0.4058407 191.7000   5.500000 -0.3894424E-01 0.7489793 
1 1 1 20 2  8  o 17.27484 0.5791879 71.80000   4.800000 -0.7080555     0.8751265 
1 1 1 20 2  9  f 5.701321 1.586930  8.200000   4.500000 0.7323465      1.770360  
1 1 1 20 2  10 x ?        ?         ?          ?        -0.2604485E-01 1.111252  
1 1 1 20 2  11 x ?        ?         ?          ?        -2.117209      2.056414  
1 1 1 20 3  0  o 63.74843 0.6017659 975.5000   18.40000 0.000000       0.000000  
1 1 1 20 3  1  o 30.72506 0.3595632 226.6000   5.300000 -1.954180      0.6450884 
1 1 1 20 3  2  o 14.75225 0.5793191 52.30000   4.100000 -0.3386469     0.9299056 
1 1 1 20 3  3  f 13.46442 0.6656916 43.60000   4.300000 2.134321       1.061923  
1 1 1 20 3  4  o 21.09559 0.4742875 106.9000   4.800000 1.753755       0.7242951 
1 1 1 20 3  5  o 5.199138 1.603987  6.600000   4.400000 -0.1086917     1.947748  
1 1 1 20 3  6  f 13.14882 0.7481737 41.80000   4.700000 0.3861151      1.137217  
1 1 1 20 3  7  o 15.77274 0.6343459 59.90000   4.800000 -0.2903528     0.9509526 
1 1 1 20 3  8  o 20.54389 0.5276098 101.5000   5.200000 -1.731043      0.8115829 
1 1 1 20 3  9  o 4.745174 1.727929  4.600000   5.100000 0.8390064      1.937669  
1 1 1 20 3  10 x ?        ?         ?          ?        -0.2735543     1.767444  
1 1 1 20 3  11 x ?        ?         ?          ?        0.2405748      2.427645  
1 1 1 20 4  0  o 31.96275 0.5743108 245.4000   8.800000 0.000000       0.000000  
1 1 1 20 4  1  o 23.72954 0.4128580 135.2000   4.700000 0.4565277      0.6976020 
1 1 1 20 4  2  o 25.75018 0.3966505 159.2000   4.900000 1.503700       0.6618323 
1 1 1 20 4  3  o 15.66573 0.5987616 59.00000   4.500000 -0.1523829     0.9289403 
1 1 1 20 4  4  o 6.224579 1.464427  9.800000   4.300000 -1.277903      1.937091  
1 1 1 20 4  5  o 35.88819 0.3891486 309.3000   6.700000 0.5743465      0.7508160 
1 1 1 20 4  6  o 3.106199 1.434351  -3.900000  5.000000 0.8740778      1.804385  
1 1 1 20 4  7  o 9.896082 1.048058  24.00000   4.900000 -0.9276032     1.675974  
1 1 1 20 4  8  o 12.02518 0.8549401 35.10000   4.900000 0.3843732      1.239274  
1 1 1 20 4  9  o 9.143968 1.339048  20.80000   5.700000 0.1789904E-01  1.785869  
1 1 1 20 4  10 x ?        ?         ?          ?        0.9312091      1.928220  
1 1 1 20 5  0  o 25.60675 0.5786248 157.6000   7.100000 -0.000000      0.000000  
1 1 1 20 5  1  o 4.118507 1.569226  2.900000   4.300000 -0.8564305E-01 1.955244  
1 1 1 20 5  2  o 28.05546 0.4012071 189.0000   5.400000 -0.1650887     0.6657594 
1 1 1 20 5  3  o 54.28454 0.4684636 707.9000   12.20000 -0.9694939     0.7733297 
1 1 1 20 5  4  o 13.29715 0.7238190 42.70000   4.600000 1.072965       1.012684  
1 1 1 20 5  5  o 18.99700 0.5705721 86.80000   5.200000 0.6479511      0.8455551 
1 1 1 20 5  6  f 23.74256 0.4653079 135.5000   5.300000 1.076323       0.7598455 
1 1 1 20 5  7  o 18.35812 0.5563653 81.10000   4.900000 0.5762186      0.8223229 
1 1 1 20 5  8  o 5.858551 1.750892  8.600000   5.300000 -2.196269      1.793169  
1 1 1 20 5  9  o 13.00912 0.9683155 41.20000   6.000000 2.358956       1.412256  
1 1 1 20 5  10 x ?        ?         ?          ?        -0.1251888     1.925242  
1 1 1 20 6  0  o 3.899282 2.260059  4.500000   6.900000 -0.000000      0.000000  
1 1 1 20 6  1  o 7.919443 1.166750  15.50000   4.300000 1.198543       1.838556  
1 1 1 20 6  2  o 19.27480 0.5407199 89.30000   5.000000 -0.7163572     0.8307029 
1 1 1 20 6  3  o 40.76188 0.3886436 399.0000   7.600000 1.758791       0.6949548 
1 1 1 20 6  4  f 20.63838 0.5251942 102.4000   5.200000 -0.4679308     0.8463115 
1 1 1 20 6  5  o 20.50310 0.5286594 101.1000   5.200000 0.8385077      0.8377038 
1 1 1 20 6  6  f 24.30223 0.4717466 142.0000   5.500000 -1.387190      0.8029080 
1 1 1 20 6  7  o 13.79658 0.7736533 46.10000   5.100000 0.7586012      1.119019  
1 1 1 20 6  8  o 6.005593 1.760411  9.100000   5.400000 2.326260       1.952641  
1 1 1 20 6  9  o 13.18515 0.9227442 42.30000   5.800000 1.919785       1.251918  
1 1 1 20 6  10 x ?        ?         ?          ?        0.5224123      1.919634  
1 1 1 20 7  0  f 17.43547 0.7564198 73.40000   6.300000 0.000000       0.000000  
1 1 1 20 7  1  o 21.04062 0.5052470 106.4000   5.100000 2.070264       0.7664205 
1 1 1 20 7  2  o 17.51890 0.5592207 73.80000   4.700000 -1.373894      0.8549908 
1 1 1 20 7  3  o 17.25270 0.5799312 71.60000   4.800000 -1.568900      0.8769021 
1 1 1 20 7  4  o 15.49200 0.6592965 57.80000   4.900000 0.6841078      0.9612895 
1 1 1 20 7  5  o 13.23344 0.7592439 42.40000   4.800000 -1.548097      1.210585  
1 1 1 20 7  6  o 11.34849 0.9264663 31.40000   5.000000 0.5629001      1.332105  
1 1 1 20 7  7  o 3.765045 1.656889  -1.300000  5.800000 0.1465409      1.791959  
1 1 1 20 7  8  o 33.02806 0.4733368 262.3000   7.500000 2.276169       0.6679970 
1 1 1 20 7  9  x ?        ?         ?          ?        -2.810908      1.880336  
1 1 1 20 7  10 x ?        ?         ?          ?        0.2562256      1.779532  
1 1 1 20 8  0  o 14.22056 1.054031  49.40000   7.100000 -0.000000      0.000000  
1 1 1 20 8  1  o 16.79540 0.6329536 67.90000   5.100000 -2.909559      0.9560140 
1 1 1 20 8  2  o 9.817804 0.9238122 23.50000   4.300000 -1.618207      1.375044  
1 1 1 20 8  3  o 9.698209 1.093762  23.10000   5.000000 -0.2358217     1.279634  
1 1 1 20 8  4  o 23.46979 0.4795972 132.3000   5.400000 -1.078590      0.7300562 
1 1 1 20 8  5  o 18.24655 0.5940388 80.20000   5.200000 -0.5915651     0.8941427 
1 1 1 20 8  6  o 11.91976 0.8806035 34.60000   5.000000 -0.4543753     1.293024  
1 1 1 20 8  7  o 12.22610 1.050195  36.60000   6.100000 1.013838       1.410758  
1 1 1 20 8  8  f 6.404390 1.829339  10.50000   5.900000 3.187692       1.871334  
1 1 1 20 8  9  x ?        ?         ?          ?        1.799774       2.104392  
1 1 1 20 8  10 x ?        ?         ?          ?        -0.8816392     1.989069  
1 1 1 20 9  0  o 5.197027 2.366736  9.500000   6.400000 -0.000000      0.000000  
1 1 1 20 9  1  o 24.79762 0.4455105 147.8000   5.300000 -0.7926769     0.6939244 
1 1 1 20 9  2  o 20.99411 0.4964375 106.0000   5.000000 -0.5047035E-01 0.7864038 
1 1 1 20 9  3  o 4.152687 1.586147  2.900000   4.400000 0.6457903      1.813946  
1 1 1 20 9  4  o 7.942997 1.162876  15.70000   4.300000 2.549290       1.669270  
1 1 1 20 9  5  o 10.20512 0.9505087 25.50000   4.600000 3.526261       1.603455  
1 1 1 20 9  6  o 6.211091 1.805228  9.900000   5.700000 -1.289463      2.011272  
1 1 1 20 9  7  o 7.454468 1.638533  14.30000   5.700000 1.609972       2.037928  
1 1 1 20 9  8  o 25.84610 0.5484109 160.9000   6.800000 1.817795       0.8238168 
1 1 1 20 9  9  x ?        ?         ?          ?        0.4429846      1.888274  
1 1 1 20 10 0  o 3.235944 1.998372  1.900000   6.100000 -0.000000      0.000000  
1 1 1 20 10 1  o 11.15073 0.7902422 30.20000   4.200000 -1.089805      1.261161  
1 1 1 20 10 2  o 11.57042 0.8343040 32.40000   4.600000 -1.052082      1.283432  
1 1 1 20 10 3  o 20.30625 0.5337842 99.30000   5.200000 0.1075945      0.7892149 
1 1 1 20 10 4  o 12.71548 0.8741408 39.40000   5.300000 1.373251       1.286891  
1 1 1 20 10 5  o 8.085756 1.418009  16.60000   5.300000 3.681060       1.733317  
1 1 1 20 10 6  o 8.177889 1.612131  17.20000   6.100000 1.900996       2.003239  
1 1 1 20 10 7  o 12.80913 0.9672499 40.10000   5.900000 2.417725       1.432654  
1 1 1 20 10 8  o 6.901451 1.902104  12.50000   6.500000 2.312907       2.048270  
1 1 1 20 10 9  x ?        ?         ?          ?        1.229834       1.752449  
1 1 1 20 11 0  o 2.827524 1.864737  -1.300000  6.500000 0.000000       0.000000  
1 1 1 20 11 1  o 9.941367 0.9117602 24.20000   4.300000 1.294505       1.498047  
1 1 1 20 11 2  o 17.47556 0.6202465 73.70000   5.200000 -0.8888826     0.9170409 
1 1 1 20 11 3  o 5.260354 1.756053  6.700000   5.200000 0.2824235      1.916077  
1 1 1 20 11 4  o 4.818316 1.633463  5.500000   4.500000 -0.1635871     1.909307  
1 1 1 20 11 5  o 6.967677 1.716438  12.70000   5.700000 -0.4333658     2.108289  
1 1 1 20 11 6  o 9.728623 1.296401  23.70000   5.900000 1.192771       1.673136  
1 1 1 20 11 7  o 15.84714 0.8848171 61.20000   6.700000 2.479773       1.359077  
1 1 1 20 11 8  x ?        ?         ?          ?        2.113614       1.995821  
1 1 1 20 11 9  x ?        ?         ?          ?        1.887108       2.095003  
1 1 1 20 12 0  o 22.71407 0.6897088 124.3000   7.500000 0.000000       0.000000  
1 1 1 20 12 1  o 13.74620 0.7918702 46.00000   5.200000 -0.1559286     1.104716  
1 1 1 20 12 2  o 12.11290 0.8837334 35.90000   5.100000 -1.268428      1.279500  
1 1 1 20 12 3  o 12.60715 0.8313613 38.80000   5.000000 -0.1521101     1.228393  
1 1 1 20 12 4  o 3.131563 1.477876  -6.000000  5.800000 -0.7207754     1.752158  
1 1 1 20 12 5  o 3.480880 1.594099  -3.600000  6.000000 -0.5573785     1.713235  
1 1 1 20 12 6  o 7.684771 1.674775  15.40000   6.000000 2.500805       1.895671  
1 1 1 20 12 7  o 4.152151 1.798124  -0.1000000 6.600000 0.4751537      1.920157  
1 1 1 20 12 8  x ?        ?         ?          ?        -3.410418      1.805384  
1 1 1 20 13 0  f 8.825822 1.943514  21.40000   7.200000 -0.000000      0.000000  
1 1 1 20 13 1  o 3.418599 1.498268  -0.7000000 4.700000 -0.5096285     1.767377  
1 1 1 20 13 2  o 7.704592 1.347708  15.20000   4.800000 1.211548       1.949039  
1 1 1 20 13 3  o 3.595677 1.602692  -1.600000  5.600000 0.4449761      2.014770  
1 1 1 20 13 4  o 10.71714 1.125440  28.60000   5.700000 0.9182644E-01  1.593457  
1 1 1 20 13 5  o 7.139001 1.762473  13.50000   6.000000 -2.541000      1.958326  
1 1 1 20 13 6  o 6.268302 1.952134  10.30000   6.500000 -0.9363632     2.117273  
1 1 1 20 13 7  x ?        ?         ?          ?        0.2753737      1.895571  
1 1 1 20 13 8  x ?        ?         ?          ?        -0.3174529     1.998719  
1 1 1 20 14 0  o 5.757550 2.309627  11.20000   6.200000 0.000000       0.000000  
1 1 1 20 14 1  o 6.413545 1.719754  11.00000   5.400000 2.368212       1.911870  
1 1 1 20 14 2  o 7.183472 1.802121  13.90000   6.200000 3.357116       1.998672  
1 1 1 20 14 3  o 6.103549 1.730513  9.900000   5.300000 2.948977       1.900048  
1 1 1 20 14 4  o 2.907148 1.406461  -9.000000  6.000000 -1.291390      1.810781  
1 1 1 20 14 5  o 4.902771 1.891596  4.700000   6.300000 -0.9500921     1.848114  
1 1 1 20 14 6  x ?        ?         ?          ?        -2.148037      1.989802  
1 1 1 20 14 7  x ?        ?         ?          ?        0.7038505      2.122004  
1 1 1 20 14 8  x ?        ?         ?          ?        1.571400       2.131014  
1 1 1 20 15 0  o 3.029784 2.053574  -4.300000  8.900000 -0.000000      0.000000  
1 1 1 20 15 1  o 5.809478 1.774385  9.000000   5.400000 1.499165       1.979733  
1 1 1 20 15 2  o 2.603995 1.285128  -11.90000  5.800000 0.7517319      1.657277  
1 1 1 20 15 3  o 3.498866 1.634979  -5.400000  6.800000 1.542318       1.939703  
1 1 1 20 15 4  o 4.118069 1.769988  0.6000000  6.300000 -1.175361      1.860592  
1 1 1 20 15 5  o 8.815557 1.495824  20.40000   6.100000 0.7138295      2.035366  
1 1 1 20 15 6  x ?        ?         ?          ?        2.376172       1.976398  
1 1 1 20 15 7  x ?        ?         ?          ?        -1.779825      1.996352  
1 1 1 20 16 0  o 6.452447 3.307972  15.50000   13.00000 0.000000       0.000000  
1 1 1 20 16 1  o 6.765566 1.991878  12.80000   6.900000 -0.2163010     2.368092  
1 1 1 20 16 2  o 5.064710 1.940693  5.600000   6.600000 -0.5564320     2.100661  
1 1 1 20 16 3  o 6.738570 1.937918  12.70000   6.600000 -2.606905      2.010107  
1 1 1 20 16 4  o 4.018771 1.796966  -1.200000  7.100000 1.136239       1.999080  
1 1 1 20 16 5  x ?        ?         ?          ?        0.3108032      1.943094  
1 1 1 20 16 6  x ?        ?         ?          ?        -2.755732      1.737544  
1 1 1 20 17 0  o 4.217626 2.678435  2.100000   11.80000 -0.000000      0.000000  
1 1 1 20 17 1  o 9.481301 1.619055  24.40000   7.100000 -0.4161754     2.051722  
1 1 1 20 17 2  o 5.587688 2.013638  8.400000   6.900000 -0.4524117     2.166558  
1 1 1 20 17 3  x ?        ?         ?          ?        0.9967804      1.949347  
1 1 1 20 17 4  x ?        ?         ?          ?        0.2510185      2.179595  
1 1 1 20 17 5  x ?        ?         ?          ?        -0.1704535     1.820878  
1 1 1 20 17 6  x ?        ?         ?          ?        0.6672206      2.110229  
1 1 1 20 18 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 20 18 1  x ?        ?         ?          ?        0.8816345      1.911961  
1 1 1 20 18 2  x ?        ?         ?          ?        0.7203808      1.805834  
1 1 1 20 18 3  x ?        ?         ?          ?        -3.694124      1.992767  
1 1 1 20 18 4  x ?        ?         ?          ?        -0.3377557     2.235360  
1 1 1 20 18 5  x ?        ?         ?          ?        -0.6389828     2.271934  
1 1 1 20 19 0  x ?        ?         ?          ?        ?              ?         
1 1 1 20 19 1  x ?        ?         ?          ?        ?              ?         
1 1 1 20 19 2  x ?        ?         ?          ?        1.118054       2.485044  
1 1 1 20 19 3  x ?        ?         ?          ?        0.000000       1.575032  
1 1 1 20 20 0  x ?        ?         ?          ?        ?              ?         
1 1 1 20 20 1  x ?        ?         ?          ?        ?              ?         
1 1 1 21 0  1  o 34.25188 0.5724125 281.8000   9.400000 0.000000       0.000000  
1 1 1 21 0  2  o 27.09446 0.6316243 176.5000   8.200000 -0.000000      0.000000  
1 1 1 21 0  3  o 32.49384 0.5970419 253.7000   9.300000 0.000000       0.000000  
1 1 1 21 0  4  o 3.841490 2.226845  4.400000   6.700000 -0.000000      0.000000  
1 1 1 21 0  5  o 12.92421 1.115859  41.10000   6.800000 0.000000       0.000000  
1 1 1 21 0  6  f 3.031408 1.949720  0.2000000  6.500000 -0.000000      0.000000  
1 1 1 21 0  7  o 8.073691 1.902289  18.20000   6.400000 0.000000       0.000000  
1 1 1 21 0  8  o 3.501333 2.106122  3.100000   6.400000 0.000000       0.000000  
1 1 1 21 0  9  o 2.701437 1.855417  -5.100000  7.800000 0.000000       0.000000  
1 1 1 21 0  10 x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 21 1  0  o 17.96163 0.7808956 77.90000   6.700000 0.000000       0.000000  
1 1 1 21 1  1  o 8.237329 1.226764  16.80000   4.700000 -0.3418999     1.940734  
1 1 1 21 1  2  o 39.20440 0.3934496 369.1000   7.400000 -2.052721      0.6702030 
1 1 1 21 1  3  o 19.87864 0.5347807 95.00000   5.100000 -1.016438      0.8581027 
1 1 1 21 1  4  o 12.07459 0.7810248 35.30000   4.500000 0.7328243      1.270255  
1 1 1 21 1  5  o 15.10374 0.7176471 55.00000   5.200000 1.555773       1.061671  
1 1 1 21 1  6  o 11.23954 0.9357909 30.80000   5.000000 0.6538353      1.568722  
1 1 1 21 1  7  o 13.74479 0.7152443 45.70000   4.700000 0.4093142      1.048929  
1 1 1 21 1  8  o 15.03833 0.6653249 54.50000   4.800000 -0.8668194     0.9655637 
1 1 1 21 1  9  o 15.60999 0.7077263 58.80000   5.300000 1.566475       1.009592  
1 1 1 21 1  10 x ?        ?         ?          ?        -1.070536      1.964005  
1 1 1 21 2  0  o 5.457581 2.440691  10.40000   6.800000 0.000000       0.000000  
1 1 1 21 2  1  o 22.30924 0.4952030 119.6000   5.300000 -1.034425      0.7954587 
1 1 1 21 2  2  o 34.39276 0.4121298 284.1000   6.800000 1.626348       0.7025480 
1 1 1 21 2  3  o 9.275174 1.076257  21.10000   4.700000 0.4785514      1.626489  
1 1 1 21 2  4  o 9.499742 1.141932  22.20000   5.100000 -1.310684      1.687200  
1 1 1 21 2  5  o 20.07943 0.5398140 97.00000   5.200000 2.230021       0.8397925 
1 1 1 21 2  6  o 15.80021 0.6860136 60.20000   5.200000 1.927715       1.028937  
1 1 1 21 2  7  o 17.70628 0.5886196 75.50000   5.000000 -0.6732645     0.9151007 
1 1 1 21 2  8  o 6.099924 1.564391  9.500000   4.600000 -0.7212334     1.910125  
1 1 1 21 2  9  o 10.36579 0.9767473 26.30000   4.800000 2.209718       1.533027  
1 1 1 21 2  10 x ?        ?         ?          ?        2.966293       1.642123  
1 1 1 21 3  0  o 12.40576 1.184142  38.00000   6.900000 0.000000       0.000000  
1 1 1 21 3  1  o 18.91093 0.5731690 86.00000   5.200000 1.512035       0.9137681 
1 1 1 21 3  2  o 9.094747 1.198043  20.40000   5.100000 -1.531729      1.715836  
1 1 1 21 3  3  o 14.41448 0.7399962 50.20000   5.100000 -1.335437      1.085368  
1 1 1 21 3  4  f 18.95106 0.5609561 86.40000   5.100000 -1.156130      0.8120965 
1 1 1 21 3  5  f 8.839895 1.236419  19.40000   5.100000 1.202029       1.735174  
1 1 1 21 3  6  o 10.90130 1.025473  29.10000   5.300000 -1.578388      1.522815  
1 1 1 21 3  7  o 7.334820 1.633370  13.80000   5.600000 -3.909121      1.624017  
1 1 1 21 3  8  o 8.514392 1.209079  18.00000   4.800000 -1.630011      1.743462  
1 1 1 21 3  9  x ?        ?         ?          ?        4.121332       1.829028  
1 1 1 21 3  10 x ?        ?         ?          ?        1.497834       1.926261  
1 1 1 21 4  0  o 21.21961 0.8081669 108.6000   8.200000 0.000000       0.000000  
1 1 1 21 4  1  o 13.41949 0.8272839 43.60000   5.300000 0.6115665      1.152184  
1 1 1 21 4  2  o 19.94623 0.5747700 95.70000   5.500000 2.435074       0.8590543 
1 1 1 21 4  3  o 5.729631 1.584088  8.300000   4.500000 -1.190164      1.833078  
1 1 1 21 4  4  o 26.11589 0.4788931 163.8000   6.000000 -0.6542587E-01 0.7905341 
1 1 1 21 4  5  o 10.44302 1.010654  26.70000   5.000000 0.2937551      1.648232  
1 1 1 21 4  6  o 12.83249 0.9156491 40.10000   5.600000 0.000000       1.257666  
1 1 1 21 4  7  o 12.14204 0.8990874 35.90000   5.200000 -1.705509      1.346177  
1 1 1 21 4  8  o 6.152758 1.810105  9.600000   5.700000 -0.6196880     2.011791  
1 1 1 21 4  9  x ?        ?         ?          ?        0.8842106      1.961618  
1 1 1 21 4  10 x ?        ?         ?          ?        2.241013       1.918551  
1 1 1 21 5  0  o 23.17347 0.7121273 129.3000   7.900000 0.000000       0.000000  
1 1 1 21 5  1  o 22.33776 0.5412285 120.0000   5.800000 -1.309201      0.8546764 
1 1 1 21 5  2  o 42.05379 0.3866176 424.8000   7.800000 2.026749       0.6263577 
1 1 1 21 5  3  o 6.792198 1.644159  11.80000   5.300000 -1.650979      1.929455  
1 1 1 21 5  4  o 26.03691 0.4643343 163.0000   5.800000 2.384560       0.7696310 
1 1 1 21 5  5  o 40.86357 0.4182825 401.4000   8.200000 2.930004       0.7141179 
1 1 1 21 5  6  o 15.69753 0.7170586 59.50000   5.400000 0.6442785      0.9726164 
1 1 1 21 5  7  o 17.65793 0.6610592 75.20000   5.600000 1.377542       1.004520  
1 1 1 21 5  8  o 4.970336 1.837438  5.000000   5.800000 2.235376       2.019268  
1 1 1 21 5  9  x ?        ?         ?          ?        2.747508       1.931080  
1 1 1 21 5  10 x ?        ?         ?          ?        0.7854726      1.854513  
1 1 1 21 6  0  o 17.22644 0.9751725 72.00000   8.000000 0.000000       0.000000  
1 1 1 21 6  1  o 14.81457 0.7035146 52.90000   5.000000 1.750172       1.042436  
1 1 1 21 6  2  o 18.89939 0.6066065 86.00000   5.500000 -0.5027771     0.9167840 
1 1 1 21 6  3  o 2.561945 1.252244  -9.500000  5.100000 1.023940       1.586228  
1 1 1 21 6  4  o 14.83191 0.7167460 53.10000   5.100000 0.2281647      1.093428  
1 1 1 21 6  5  o 13.66807 0.7656063 45.30000   5.000000 -1.860026      1.301685  
1 1 1 21 6  6  o 2.856683 1.351279  -5.500000  4.900000 -1.507682      1.722778  
1 1 1 21 6  7  o 12.51879 0.9904730 38.30000   5.900000 0.7795053      1.485853  
1 1 1 21 6  8  o 4.720108 1.839023  3.700000   6.000000 2.440673       1.995160  
1 1 1 21 6  9  x ?        ?         ?          ?        0.6100712      1.398062  
1 1 1 21 6  10 x ?        ?         ?          ?        2.744172       1.818110  
1 1 1 21 7  0  o 22.87860 0.6663769 126.0000   7.300000 0.000000       0.000000  
1 1 1 21 7  1  o 11.11882 0.8885342 30.10000   4.700000 -0.1401138     1.369592  
1 1 1 21 7  2  o 14.29261 0.8645321 49.60000   5.900000 -0.9536800     1.206180  
1 1 1 21 7  3  o 4.273879 1.637690  3.200000   4.700000 -0.2792726     1.947092  
1 1 1 21 7  4  o 21.57959 0.5699031 112.2000   5.900000 2.010821       0.8434436 
1 1 1 21 7  5  o 17.83001 0.6312978 76.70000   5.400000 1.664108       1.022208  
1 1 1 21 7  6  o 4.534894 1.700141  4.000000   5.000000 1.157009       1.895175  
1 1 1 21 7  7  o 9.995140 1.303135  24.90000   6.100000 -0.7844005     2.080419  
1 1 1 21 7  8  o 14.70693 0.9547746 52.80000   6.700000 3.887893       1.419975  
1 1 1 21 7  9  x ?        ?         ?          ?        4.003537       1.982331  
1 1 1 21 8  0  o 16.47410 0.8916727 65.80000   7.000000 0.000000       0.000000  
1 1 1 21 8  1  o 3.344148 1.487666  -1.600000  4.800000 1.065817       1.811603  
1 1 1 21 8  2  o 7.415528 1.342451  13.90000   4.600000 1.160090       1.810054  
1 1 1 21 8  3  o 10.00837 1.079258  24.70000   5.100000 -0.7308197     1.445620  
1 1 1 21 8  4  o 3.814888 1.596590  0.9000000  4.900000 -0.1118026     1.910970  
1 1 1 21 8  5  o 3.602927 1.591507  -1.300000  5.400000 -0.3000476     1.853402  
1 1 1 21 8  6  o 10.47966 1.090036  27.10000   5.400000 -0.4747200     1.352421  
1 1 1 21 8  7  o 15.07023 0.9453352 55.40000   6.800000 0.7293367      1.408121  
1 1 1 21 8  8  x ?        ?         ?          ?        0.6741586      2.009074  
1 1 1 21 8  9  x ?        ?         ?          ?        2.105398       2.036341  
1 1 1 21 9  0  o 4.430174 2.267138  7.000000   6.100000 0.000000       0.000000  
1 1 1 21 9  1  o 7.554822 1.287776  14.40000   4.500000 -0.7889700     1.686700  
1 1 1 21 9  2  o 14.96704 0.6545669 54.10000   4.700000 -1.262187      0.9025465 
1 1 1 21 9  3  o 16.58695 0.6786085 66.50000   5.400000 2.024725       1.044684  
1 1 1 21 9  4  o 13.78193 0.7897677 46.20000   5.200000 2.455273       1.193566  
1 1 1 21 9  5  f 5.342302 1.718307  7.100000   5.000000 0.9722400      1.916988  
1 1 1 21 9  6  o 11.38933 1.093240  32.00000   5.900000 1.545826       1.743015  
1 1 1 21 9  7  o 13.66112 1.029879  45.80000   6.700000 0.7697315      1.383482  
1 1 1 21 9  8  x ?        ?         ?          ?        3.479101       1.971819  
1 1 1 21 9  9  x ?        ?         ?          ?        0.5276947      1.260097  
1 1 1 21 10 0  o 2.446779 1.673527  -3.900000  6.200000 0.000000       0.000000  
1 1 1 21 10 1  o 3.849344 1.550462  1.900000   4.400000 0.2941129      1.836289  
1 1 1 21 10 2  o 5.980639 1.604737  9.300000   4.700000 -0.7473240     1.990614  
1 1 1 21 10 3  o 4.014474 1.677746  1.200000   5.400000 -2.394394      1.795353  
1 1 1 21 10 4  o 6.041909 1.778228  9.500000   5.500000 -1.653306      2.025701  
1 1 1 21 10 5  o 7.363988 1.410041  13.90000   4.800000 0.4174132      1.842869  
1 1 1 21 10 6  o 3.872053 1.681223  -0.4000000 5.800000 0.8828304      2.109245  
1 1 1 21 10 7  o 14.68365 0.8842608 52.70000   6.200000 -0.3814545     1.319946  
1 1 1 21 10 8  x ?        ?         ?          ?        -0.5304852     1.984907  
1 1 1 21 10 9  x ?        ?         ?          ?        0.8174441      1.951403  
1 1 1 21 11 0  o 3.777779 2.219272  4.100000   6.800000 0.000000       0.000000  
1 1 1 21 11 1  o 5.313785 1.719270  7.100000   5.000000 -0.9730768E-01 2.025139  
1 1 1 21 11 2  o 4.998435 1.812100  5.600000   5.600000 2.753738       1.889134  
1 1 1 21 11 3  o 19.59608 0.5850402 92.80000   5.500000 0.8676529      0.8615902 
1 1 1 21 11 4  o 7.672889 1.466111  15.20000   5.200000 0.9659224      1.957400  
1 1 1 21 11 5  o 6.546431 1.749590  11.30000   5.600000 1.313164       2.003735  
1 1 1 21 11 6  o 9.410179 1.393326  22.50000   6.100000 0.9282274      2.018553  
1 1 1 21 11 7  x ?        ?         ?          ?        0.8708253      1.965171  
1 1 1 21 11 8  x ?        ?         ?          ?        -0.2535746     2.020571  
1 1 1 21 12 0  o 11.51140 1.436659  33.50000   7.600000 0.000000       0.000000  
1 1 1 21 12 1  o 6.431465 1.694158  11.00000   5.300000 -1.059107      1.898961  
1 1 1 21 12 2  o 12.45096 0.8932250 38.10000   5.300000 -2.245792      1.352064  
1 1 1 21 12 3  o 6.539583 1.605539  11.30000   5.000000 -1.450181      1.890682  
1 1 1 21 12 4  o 4.164003 1.702685  2.100000   5.400000 0.1243997      1.989858  
1 1 1 21 12 5  o 4.634708 1.887308  2.900000   6.600000 -2.066383      1.990619  
1 1 1 21 12 6  o 12.87878 1.111481  41.30000   6.800000 4.514238       1.712946  
1 1 1 21 12 7  x ?        ?         ?          ?        0.7856827      2.149938  
1 1 1 21 12 8  x ?        ?         ?          ?        3.095455       1.949600  
1 1 1 21 13 0  o 21.93737 0.7813993 116.2000   8.200000 0.000000       0.000000  
1 1 1 21 13 1  o 4.749761 1.713755  5.200000   5.000000 0.7923720      1.929245  
1 1 1 21 13 2  o 6.398854 1.743966  11.00000   5.500000 -1.969282      1.960190  
1 1 1 21 13 3  o 3.767942 1.693869  -2.100000  6.400000 0.5569918      2.131071  
1 1 1 21 13 4  o 4.146614 1.718660  1.800000   5.600000 0.7358053      1.846756  
1 1 1 21 13 5  o 3.415765 1.579753  -4.100000  6.100000 -0.2159896     1.866453  
1 1 1 21 13 6  x ?        ?         ?          ?        0.8598387      2.137738  
1 1 1 21 13 7  x ?        ?         ?          ?        0.3779697      2.211767  
1 1 1 21 14 0  o 13.14055 1.404669  43.20000   8.600000 0.000000       0.000000  
1 1 1 21 14 1  o 11.10473 1.201733  31.20000   6.300000 0.9470506      1.551947  
1 1 1 21 14 2  o 7.301206 1.977957  14.80000   7.100000 -0.9146812     2.125809  
1 1 1 21 14 3  o 5.577339 1.973645  7.800000   6.600000 0.2417076      2.143190  
1 1 1 21 14 4  o 6.102827 1.925215  10.10000   6.300000 -1.135005      2.151057  
1 1 1 21 14 5  x ?        ?         ?          ?        1.579980       2.010727  
1 1 1 21 14 6  x ?        ?         ?          ?        -0.1594930     2.005517  
1 1 1 21 14 7  x ?        ?         ?          ?        -0.5430360     1.989386  
1 1 1 21 15 0  o 15.46808 1.771581  60.50000   12.70000 0.000000       0.000000  
1 1 1 21 15 1  o 4.552123 2.004474  0.1000000  8.500000 2.381363       1.988675  
1 1 1 21 15 2  o 4.969854 1.971053  4.900000   7.000000 0.6625183      1.791832  
1 1 1 21 15 3  o 5.898879 1.993184  9.500000   6.700000 0.2560270      1.956272  
1 1 1 21 15 4  x ?        ?         ?          ?        0.7615237      2.000316  
1 1 1 21 15 5  x ?        ?         ?          ?        0.7592263      2.014384  
1 1 1 21 15 6  x ?        ?         ?          ?        0.9364254      1.848700  
1 1 1 21 16 0  o 3.722372 2.532581  -6.700000  13.80000 0.000000       0.000000  
1 1 1 21 16 1  o 7.980298 2.480434  20.40000   10.50000 0.2063379      2.121346  
1 1 1 21 16 2  o 3.597084 1.620830  -1.400000  5.900000 -0.3149896     1.911715  
1 1 1 21 16 3  x ?        ?         ?          ?        0.8117244      1.837411  
1 1 1 21 16 4  x ?        ?         ?          ?        -1.360024      2.051097  
1 1 1 21 16 5  x ?        ?         ?          ?        -0.2502699     1.874266  
1 1 1 21 17 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 21 17 1  x ?        ?         ?          ?        0.5226004      1.916749  
1 1 1 21 17 2  x ?        ?         ?          ?        0.3843138      1.810915  
1 1 1 21 17 3  x ?        ?         ?          ?        -0.4869175E-01 1.924255  
1 1 1 21 17 4  x ?        ?         ?          ?        0.5927746      2.014400  
1 1 1 21 18 0  x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 21 18 1  x ?        ?         ?          ?        -0.5275373     2.478230  
1 1 1 21 18 2  x ?        ?         ?          ?        -1.398294      2.531954  
1 1 1 21 18 3  x ?        ?         ?          ?        ?              ?         
1 1 1 21 19 0  x ?        ?         ?          ?        ?              ?         
1 1 1 21 19 1  x ?        ?         ?          ?        0.000000       1.551071  
1 1 1 22 0  0  o 25.33946 1.107108  155.1000   13.40000 0.000000       0.000000  
1 1 1 22 0  1  o 4.280568 2.479759  5.500000   8.300000 0.000000       0.000000  
1 1 1 22 0  2  o 6.698867 2.650155  15.00000   8.200000 0.000000       0.000000  
1 1 1 22 0  3  o 17.51157 0.9588336 74.40000   8.000000 0.000000       0.000000  
1 1 1 22 0  4  o 3.997933 2.233416  5.300000   6.400000 0.000000       0.000000  
1 1 1 22 0  5  o 9.771062 1.744193  25.20000   7.400000 0.000000       0.000000  
1 1 1 22 0  6  o 20.65590 0.8509541 103.2000   8.400000 0.000000       0.000000  
1 1 1 22 0  7  o 12.53379 1.118088  38.80000   6.600000 0.000000       0.000000  
1 1 1 22 0  8  o 3.870201 2.278868  4.400000   7.200000 0.000000       0.000000  
1 1 1 22 0  9  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 22 1  0  o 4.024154 2.336993  4.800000   7.400000 0.000000       0.000000  
1 1 1 22 1  1  o 8.952466 1.345497  20.00000   5.600000 -0.2870598     2.044694  
1 1 1 22 1  2  o 14.92180 0.7709384 53.90000   5.500000 -1.263371      1.159216  
1 1 1 22 1  3  o 21.37800 0.5362753 109.8000   5.500000 1.891959       0.7990618 
1 1 1 22 1  4  f 16.17684 0.7215835 63.20000   5.600000 -1.782788      1.058903  
1 1 1 22 1  5  o 4.277656 1.675412  2.900000   5.000000 2.467994       1.876003  
1 1 1 22 1  6  o 6.986657 1.613775  12.60000   5.300000 2.526231       1.901894  
1 1 1 22 1  7  o 8.073541 1.337755  16.40000   5.000000 -0.1390052     1.867525  
1 1 1 22 1  8  o 6.463417 1.666352  10.80000   5.200000 -0.2348161     1.919997  
1 1 1 22 1  9  x ?        ?         ?          ?        -0.9882908     1.893736  
1 1 1 22 2  0  o 2.584073 1.763503  -4.100000  6.800000 0.000000       0.000000  
1 1 1 22 2  1  o 20.97111 0.5963786 105.9000   6.000000 -1.784129      0.8987297 
1 1 1 22 2  2  o 23.84632 0.5069894 136.8000   5.800000 0.3637447      0.7742896 
1 1 1 22 2  3  o 12.75269 0.9215358 39.40000   5.600000 -1.029387      1.408682  
1 1 1 22 2  4  o 8.273607 1.329950  17.20000   5.100000 0.8119240      1.978353  
1 1 1 22 2  5  o 24.45079 0.5370811 144.0000   6.300000 1.404706       0.8491651 
1 1 1 22 2  6  o 3.518654 1.570686  -1.900000  5.400000 -1.245728      1.787360  
1 1 1 22 2  7  o 14.46413 0.7519752 50.70000   5.200000 -0.5124369     1.112746  
1 1 1 22 2  8  o 11.56299 1.019960  32.80000   5.600000 1.547544       1.648179  
1 1 1 22 2  9  x ?        ?         ?          ?        -0.6090555     1.836185  
1 1 1 22 3  0  o 2.250587 1.599451  -10.10000  7.400000 0.000000       0.000000  
1 1 1 22 3  1  o 27.71857 0.4888040 184.8000   6.500000 -0.3745365     0.8015960 
1 1 1 22 3  2  o 11.18965 0.9785163 30.60000   5.200000 1.548075       1.299897  
1 1 1 22 3  3  o 11.53522 0.9480465 32.50000   5.200000 -1.856412      1.403484  
1 1 1 22 3  4  o 13.64894 0.8440973 45.30000   5.500000 0.9688253      1.207319  
1 1 1 22 3  5  o 16.55993 0.7300654 66.30000   5.800000 -1.530519      1.069160  
1 1 1 22 3  6  o 3.856302 1.670518  -0.4000000 5.700000 -0.6971433     1.876465  
1 1 1 22 3  7  o 5.486350 1.769574  7.400000   5.300000 -0.1513433E-01 1.989458  
1 1 1 22 3  8  o 11.64532 0.9571437 33.20000   5.300000 0.7091832      1.467912  
1 1 1 22 3  9  x ?        ?         ?          ?        3.543624       1.642537  
1 1 1 22 4  0  o 3.245531 2.078990  0.4000000  7.300000 0.000000       0.000000  
1 1 1 22 4  1  o 8.362530 1.395165  17.60000   5.400000 0.2543020E-01  2.016622  
1 1 1 22 4  2  o 14.72090 0.7815906 52.30000   5.500000 -0.7275419     1.161134  
1 1 1 22 4  3  o 8.252439 1.306437  17.10000   5.000000 -0.3449287     1.860200  
1 1 1 22 4  4  o 5.894405 1.705961  8.900000   5.100000 1.299951       2.008831  
1 1 1 22 4  5  o 14.82830 0.7900558 53.40000   5.600000 -0.1408844     1.087238  
1 1 1 22 4  6  o 12.17682 1.036969  36.40000   6.000000 1.777120       1.549775  
1 1 1 22 4  7  o 11.61814 1.089196  33.20000   6.000000 -1.634956      1.613903  
1 1 1 22 4  8  o 9.871142 1.162590  24.20000   5.400000 -0.4705482     1.898390  
1 1 1 22 4  9  x ?        ?         ?          ?        1.002423       1.982764  
1 1 1 22 5  0  o 2.703419 1.853297  -5.100000  7.700000 0.000000       0.000000  
1 1 1 22 5  1  o 12.60532 0.9326531 38.50000   5.600000 0.1952620      1.244379  
1 1 1 22 5  2  o 20.21824 0.5670371 98.50000   5.500000 1.691574       0.8488881 
1 1 1 22 5  3  o 16.87757 0.6792738 68.80000   5.500000 0.6111908      0.9948888 
1 1 1 22 5  4  o 6.389584 1.788705  10.60000   5.700000 0.6832223      2.056658  
1 1 1 22 5  5  f 5.614093 1.783619  7.900000   5.400000 -0.1885240     2.029159  
1 1 1 22 5  6  o 8.783198 1.399722  19.50000   5.700000 2.353315       1.900593  
1 1 1 22 5  7  o 7.457392 1.559537  14.30000   5.400000 1.231824       1.936383  
1 1 1 22 5  8  x ?        ?         ?          ?        0.1570272E-01  1.510781  
1 1 1 22 5  9  x ?        ?         ?          ?        3.035166       1.843343  
1 1 1 22 6  0  o 14.05197 1.348755  48.90000   8.900000 0.000000       0.000000  
1 1 1 22 6  1  o 4.696785 1.790498  4.100000   5.600000 1.632163       1.964552  
1 1 1 22 6  2  o 21.53809 0.6000351 111.9000   6.200000 -0.8927803     0.8599046 
1 1 1 22 6  3  f 22.17419 0.5828221 118.6000   6.200000 0.1845655      0.8396644 
1 1 1 22 6  4  o 20.45857 0.5909420 101.0000   5.800000 3.868177       0.8749101 
1 1 1 22 6  5  o 11.84207 1.031215  34.50000   5.800000 -0.9131575E-01 1.588851  
1 1 1 22 6  6  o 4.293117 1.770411  1.800000   5.900000 -1.058282      2.002228  
1 1 1 22 6  7  o 5.096586 1.801881  5.900000   5.500000 0.5551834      1.893481  
1 1 1 22 6  8  x ?        ?         ?          ?        3.960856       1.488436  
1 1 1 22 6  9  x ?        ?         ?          ?        0.5070903      1.960111  
1 1 1 22 7  0  o 5.035038 2.442371  9.100000   6.900000 0.000000       0.000000  
1 1 1 22 7  1  o 17.12731 0.7302207 71.00000   6.000000 1.431209       1.023571  
1 1 1 22 7  2  o 17.85706 0.6770335 77.10000   5.800000 1.022450       1.037076  
1 1 1 22 7  3  o 10.89172 1.066264  29.30000   5.500000 2.822622       1.591680  
1 1 1 22 7  4  o 7.455143 1.559936  14.40000   5.400000 0.1039705      2.054683  
1 1 1 22 7  5  o 12.67514 0.9609717 39.40000   5.800000 -1.839445      1.291413  
1 1 1 22 7  6  o 10.52406 1.168507  27.50000   5.800000 -0.9707441     1.739393  
1 1 1 22 7  7  o 5.631670 1.725122  8.100000   5.100000 -0.7637143     1.950613  
1 1 1 22 7  8  x ?        ?         ?          ?        1.273415       2.030074  
1 1 1 22 7  9  x ?        ?         ?          ?        0.8102698      1.955881  
1 1 1 22 8  0  o 2.498089 1.745495  -7.500000  7.700000 0.000000       0.000000  
1 1 1 22 8  1  o 4.608074 1.691315  4.500000   4.900000 1.431393       1.823814  
1 1 1 22 8  2  o 14.49308 0.7649772 51.10000   5.300000 0.6801777      1.137165  
1 1 1 22 8  3  o 10.80228 1.075607  28.90000   5.500000 -0.4071627     1.589905  
1 1 1 22 8  4  o 9.326129 1.141354  21.70000   5.000000 1.257569       1.685596  
1 1 1 22 8  5  o 4.653033 1.708385  4.600000   5.000000 0.9965341      1.858036  
1 1 1 22 8  6  o 10.04900 1.206461  25.20000   5.700000 0.1601157      1.775975  
1 1 1 22 8  7  o 10.86826 1.291089  29.70000   6.600000 -0.1741672     2.106490  
1 1 1 22 8  8  x ?        ?         ?          ?        1.542953       2.113047  
1 1 1 22 9  0  o 3.002580 1.992106  -1.900000  7.600000 0.000000       0.000000  
1 1 1 22 9  1  o 9.673226 1.096822  23.30000   5.000000 1.426417       1.776192  
1 1 1 22 9  2  o 9.905147 1.203176  24.60000   5.600000 -2.344648      1.615575  
1 1 1 22 9  3  o 10.62591 1.053573  28.00000   5.300000 -3.233027      1.603064  
1 1 1 22 9  4  o 10.68766 0.9862946 28.20000   5.000000 1.024977       1.620340  
1 1 1 22 9  5  o 9.903018 1.113861  24.40000   5.200000 -0.6141186E-01 1.781525  
1 1 1 22 9  6  o 13.71039 1.135270  46.60000   7.400000 0.9203987      1.471330  
1 1 1 22 9  7  x ?        ?         ?          ?        -0.7497399     1.895916  
1 1 1 22 9  8  x ?        ?         ?          ?        2.435078       2.152661  
1 1 1 22 10 0  o 6.229113 2.444663  13.00000   7.000000 0.000000       0.000000  
1 1 1 22 10 1  o 7.377010 1.573809  14.30000   5.400000 1.067628       2.008024  
1 1 1 22 10 2  o 8.335030 1.292252  17.70000   5.000000 0.6642990      1.796000  
1 1 1 22 10 3  o 11.90870 0.9172486 34.90000   5.200000 -1.896336      1.421553  
1 1 1 22 10 4  o 4.286580 1.720782  2.700000   5.400000 0.8073251      1.771799  
1 1 1 22 10 5  f 3.637218 1.606439  -1.100000  5.500000 1.225061       1.591807  
1 1 1 22 10 6  o 6.719959 1.977091  12.20000   6.800000 -1.128135      2.101531  
1 1 1 22 10 7  x ?        ?         ?          ?        0.3133247      1.952093  
1 1 1 22 10 8  x ?        ?         ?          ?        -0.2349043E-01 1.942342  
1 1 1 22 11 0  o 3.062198 2.047491  -2.700000  8.300000 0.000000       0.000000  
1 1 1 22 11 1  o 12.44578 0.8253484 38.00000   4.900000 0.4299059      1.312490  
1 1 1 22 11 2  o 14.49999 0.7791358 51.40000   5.400000 0.7201567      1.088386  
1 1 1 22 11 3  o 13.52375 0.8207868 44.80000   5.300000 -0.2760420     1.238973  
1 1 1 22 11 4  o 6.740948 1.793148  12.20000   5.900000 -1.404628      2.030919  
1 1 1 22 11 5  o 5.787839 1.992545  8.500000   6.700000 0.6324973      2.096337  
1 1 1 22 11 6  x ?        ?         ?          ?        0.6564100      1.686361  
1 1 1 22 11 7  x ?        ?         ?          ?        1.432700       2.032233  
1 1 1 22 12 0  o 5.367085 2.537790  10.40000   7.400000 0.000000       0.000000  
1 1 1 22 12 1  o 12.14997 1.004047  36.70000   5.800000 -0.7921476     1.504009  
1 1 1 22 12 2  o 10.82683 1.153678  29.50000   5.900000 -2.054523      1.826755  
1 1 1 22 12 3  o 4.990795 1.811676  5.800000   5.600000 -2.643597      1.889106  
1 1 1 22 12 4  o 4.860553 1.897780  4.600000   6.400000 2.177112       2.033415  
1 1 1 22 12 5  o 3.848236 1.765273  -3.600000  7.400000 -0.3696709     2.018467  
1 1 1 22 12 6  x ?        ?         ?          ?        3.005748       2.003347  
1 1 1 22 12 7  x ?        ?         ?          ?        0.7424355E-02  1.941773  
1 1 1 22 13 0  o 8.415269 3.225033  23.90000   12.30000 0.000000       0.000000  
1 1 1 22 13 1  o 4.548244 1.913701  2.200000   7.100000 0.2367067      1.848364  
1 1 1 22 13 2  o 3.749637 1.671911  -1.300000  6.100000 -0.4479637     1.975404  
1 1 1 22 13 3  o 4.222859 1.820227  0.8000000  6.700000 0.7413311      2.100156  
1 1 1 22 13 4  o 5.757553 2.019784  8.800000   6.900000 -0.3525352E-01 2.102103  
1 1 1 22 13 5  x ?        ?         ?          ?        0.3216147      2.180019  
1 1 1 22 13 6  x ?        ?         ?          ?        1.626731       2.078194  
1 1 1 22 14 0  o 5.922539 2.987001  13.00000   10.50000 0.000000       0.000000  
1 1 1 22 14 1  o 6.038588 2.214740  9.800000   8.400000 2.723579       1.928987  
1 1 1 22 14 2  o 7.346929 2.012012  15.60000   7.300000 1.124804       2.003973  
1 1 1 22 14 3  o 8.721757 1.938343  21.80000   7.900000 -0.9916291     2.173639  
1 1 1 22 14 4  x ?        ?         ?          ?        1.161119       1.992588  
1 1 1 22 14 5  x ?        ?         ?          ?        0.5102782      2.150038  
1 1 1 22 14 6  x ?        ?         ?          ?        -0.7496498     1.963022  
1 1 1 22 15 0  o 4.053128 2.664253  -1.200000  13.10000 0.000000       0.000000  
1 1 1 22 15 1  o 4.948861 2.013175  5.200000   7.500000 1.811064       1.931955  
1 1 1 22 15 2  x ?        ?         ?          ?        0.4993153      2.150725  
1 1 1 22 15 3  x ?        ?         ?          ?        1.717682       2.008244  
1 1 1 22 15 4  x ?        ?         ?          ?        -1.398421      2.010746  
1 1 1 22 15 5  x ?        ?         ?          ?        0.5986443      1.752819  
1 1 1 22 16 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 22 16 1  x ?        ?         ?          ?        -0.3764958     1.852402  
1 1 1 22 16 2  x ?        ?         ?          ?        -0.4717462     2.164005  
1 1 1 22 16 3  x ?        ?         ?          ?        -0.7730060     1.975434  
1 1 1 22 16 4  x ?        ?         ?          ?        -0.1905038     1.738004  
1 1 1 22 17 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 22 17 1  x ?        ?         ?          ?        -1.500614      2.733348  
1 1 1 22 17 2  x ?        ?         ?          ?        0.000000       1.559566  
1 1 1 22 17 3  x ?        ?         ?          ?        ?              ?         
1 1 1 22 18 0  x ?        ?         ?          ?        ?              ?         
1 1 1 23 0  1  f 9.107834 2.275026  23.50000   8.600000 0.000000       0.000000  
1 1 1 23 0  2  o 3.401382 2.193499  0.1000000  8.300000 0.000000       0.000000  
1 1 1 23 0  3  o 21.58459 0.8626154 112.6000   8.900000 0.000000       0.000000  
1 1 1 23 0  4  o 3.302083 2.143297  -0.3000000 8.100000 0.000000       0.000000  
1 1 1 23 0  5  o 2.895488 1.939268  -2.600000  7.500000 0.000000       0.000000  
1 1 1 23 0  6  o 11.38768 1.658546  33.40000   8.500000 0.000000       0.000000  
1 1 1 23 0  7  o 7.048139 2.477756  16.00000   7.600000 0.000000       0.000000  
1 1 1 23 0  8  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 23 0  9  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 23 1  0  o 8.439757 2.200838  20.40000   7.700000 0.000000       0.000000  
1 1 1 23 1  1  o 17.60223 0.6868352 74.90000   5.800000 -0.9084148     1.058768  
1 1 1 23 1  2  o 11.99171 0.9285077 35.20000   5.300000 -0.1026373     1.217834  
1 1 1 23 1  3  o 5.798519 1.849166  8.500000   5.800000 1.616614       1.861291  
1 1 1 23 1  4  o 7.282085 1.616508  13.80000   5.500000 0.7848835E-01  2.119010  
1 1 1 23 1  5  o 19.71220 0.6873381 94.00000   6.500000 -0.1245909     0.9557770 
1 1 1 23 1  6  o 12.92105 0.9091997 40.80000   5.600000 -0.1982784     1.370030  
1 1 1 23 1  7  o 4.069414 1.729948  0.6000000  5.900000 -0.9161019     1.777576  
1 1 1 23 1  8  x ?        ?         ?          ?        -2.303655      1.918079  
1 1 1 23 1  9  x ?        ?         ?          ?        -1.140016      2.051376  
1 1 1 23 2  0  o 3.955527 2.422671  3.300000   8.800000 0.000000       0.000000  
1 1 1 23 2  1  o 4.638119 1.785119  3.900000   5.600000 -1.133969      2.078550  
1 1 1 23 2  2  o 14.26614 0.7921202 49.50000   5.400000 0.1003304      1.205778  
1 1 1 23 2  3  o 4.515033 1.748673  3.600000   5.400000 -1.456927      1.949690  
1 1 1 23 2  4  o 5.129230 1.803055  6.100000   5.500000 0.4799545      1.969064  
1 1 1 23 2  5  o 5.115167 1.831569  5.900000   5.700000 -0.1817782     1.957048  
1 1 1 23 2  6  o 9.887425 1.296129  24.50000   6.000000 0.1894526      2.052091  
1 1 1 23 2  7  o 5.056082 1.800343  5.800000   5.500000 1.717012       1.799077  
1 1 1 23 2  8  x ?        ?         ?          ?        1.914716       1.879738  
1 1 1 23 2  9  x ?        ?         ?          ?        -1.065874      1.771219  
1 1 1 23 3  0  o 6.349841 2.672429  13.90000   8.200000 0.000000       0.000000  
1 1 1 23 3  1  o 16.06891 0.7783178 62.60000   6.000000 -1.409786      1.127235  
1 1 1 23 3  2  o 9.406141 1.201996  22.10000   5.300000 -1.094029      1.602068  
1 1 1 23 3  3  o 5.045080 1.814482  5.700000   5.600000 0.4137056      2.016386  
1 1 1 23 3  4  o 4.131347 1.677973  2.100000   5.200000 0.2226925E-01  1.943118  
1 1 1 23 3  5  o 13.63556 0.9693896 45.60000   6.300000 0.9406772      1.341477  
1 1 1 23 3  6  o 19.04153 0.6896533 87.70000   6.300000 0.6535845      0.9318021 
1 1 1 23 3  7  o 3.298204 1.547573  -5.800000  6.200000 0.4845083      1.692476  
1 1 1 23 3  8  x ?        ?         ?          ?        0.4787602      1.890291  
1 1 1 23 3  9  x ?        ?         ?          ?        -0.1911151     1.840025  
1 1 1 23 4  0  o 18.66949 0.9433579 84.50000   8.400000 0.000000       0.000000  
1 1 1 23 4  1  o 3.916061 1.642201  1.000000   5.200000 -0.5936384E-01 1.743610  
1 1 1 23 4  2  o 5.740834 1.868361  8.300000   5.900000 0.2469573      2.192298  
1 1 1 23 4  3  o 4.099412 1.662892  2.100000   5.100000 -0.5723023E-01 2.021089  
1 1 1 23 4  4  o 9.731168 1.272892  23.80000   5.800000 1.051261       1.974838  
1 1 1 23 4  5  o 7.939977 1.629766  16.40000   6.000000 0.2403951      2.040236  
1 1 1 23 4  6  o 6.368288 1.811950  10.60000   5.800000 -1.150659      1.921870  
1 1 1 23 4  7  o 4.348563 1.788379  2.100000   6.000000 0.8967414      1.798993  
1 1 1 23 4  8  x ?        ?         ?          ?        0.4179764E-01  2.119242  
1 1 1 23 5  0  o 13.76025 1.347575  47.00000   8.700000 0.000000       0.000000  
1 1 1 23 5  1  o 11.50587 1.044003  32.70000   5.700000 2.375394       1.800226  
1 1 1 23 5  2  o 10.36725 1.166299  26.80000   5.700000 1.741465       1.681123  
1 1 1 23 5  3  o 5.143494 1.832644  6.100000   5.700000 -0.4388406     1.923794  
1 1 1 23 5  4  o 15.43206 0.7564083 57.80000   5.600000 -0.2880449     1.078031  
1 1 1 23 5  5  o 11.14227 1.060417  30.70000   5.600000 -2.518555      1.589846  
1 1 1 23 5  6  o 7.078930 1.747774  13.20000   5.900000 0.3281069E-01  2.143777  
1 1 1 23 5  7  x ?        ?         ?          ?        1.392242       1.691158  
1 1 1 23 5  8  x ?        ?         ?          ?        0.3656874      1.931192  
1 1 1 23 6  0  o 17.23512 1.211063  72.70000   9.900000 -0.000000      0.000000  
1 1 1 23 6  1  o 13.88568 0.8294251 47.10000   5.500000 -1.268319      1.187160  
1 1 1 23 6  2  o 4.115349 1.675453  2.100000   5.200000 -1.201451      1.824464  
1 1 1 23 6  3  o 16.84362 0.7920212 69.00000   6.400000 0.1519270      1.003795  
1 1 1 23 6  4  o 5.340201 1.896590  6.700000   6.100000 -0.4279613E-03 1.937311  
1 1 1 23 6  5  o 11.25566 1.145638  31.50000   6.100000 1.945843       1.668817  
1 1 1 23 6  6  o 3.459650 1.555537  -2.100000  5.400000 -1.113458      1.888849  
1 1 1 23 6  7  x ?        ?         ?          ?        -1.081560      1.883393  
1 1 1 23 6  8  x ?        ?         ?          ?        0.4633386      1.854142  
1 1 1 23 7  0  o 21.85530 0.8325064 115.4000   8.700000 0.000000       0.000000  
1 1 1 23 7  1  o 3.281632 1.516278  -3.900000  5.600000 -0.1867263     1.767433  
1 1 1 23 7  2  o 19.67117 0.6993684 93.90000   6.600000 0.1601706      0.9987503 
1 1 1 23 7  3  o 17.21014 0.7145945 71.90000   5.900000 -0.6860352E-01 1.025950  
1 1 1 23 7  4  o 6.160063 1.848780  10.00000   5.900000 0.4392407      1.994537  
1 1 1 23 7  5  o 10.05920 1.227317  25.40000   5.800000 0.3867183      1.946961  
1 1 1 23 7  6  o 2.878804 1.387318  -8.100000  5.700000 1.350393       1.707655  
1 1 1 23 7  7  x ?        ?         ?          ?        0.6364298E-01  1.803722  
1 1 1 23 7  8  x ?        ?         ?          ?        0.7239478      2.230651  
1 1 1 23 8  0  o 5.751568 2.675968  11.90000   8.200000 0.000000       0.000000  
1 1 1 23 8  1  o 4.064840 1.657572  2.100000   5.100000 2.746823       1.846054  
1 1 1 23 8  2  o 13.95748 0.8250529 47.70000   5.500000 1.091930       1.279859  
1 1 1 23 8  3  o 5.331212 1.867838  6.900000   5.900000 -0.2672610     2.107261  
1 1 1 23 8  4  o 12.37389 0.9852055 37.80000   5.800000 2.601600       1.619841  
1 1 1 23 8  5  o 3.925497 1.643970  1.200000   5.200000 -1.574810      1.789492  
1 1 1 23 8  6  f 5.017206 1.753777  6.100000   5.200000 1.427718       1.900686  
1 1 1 23 8  7  x ?        ?         ?          ?        0.4283147      1.892797  
1 1 1 23 8  8  x ?        ?         ?          ?        0.5026851      1.868090  
1 1 1 23 9  0  o 3.540327 2.263355  0.8000000  8.600000 0.000000       0.000000  
1 1 1 23 9  1  o 6.861301 1.754999  12.70000   5.800000 -2.390035      1.959607  
1 1 1 23 9  2  o 3.351439 1.541770  -3.500000  5.700000 1.662897       1.817607  
1 1 1 23 9  3  o 8.776564 1.323658  19.70000   5.400000 -0.7030454     1.895603  
1 1 1 23 9  4  o 7.242130 1.698730  14.00000   5.800000 0.3411536      2.078593  
1 1 1 23 9  5  o 5.318912 1.984920  6.400000   6.800000 -3.096783      1.940362  
1 1 1 23 9  6  x ?        ?         ?          ?        0.5952530      1.707350  
1 1 1 23 9  7  x ?        ?         ?          ?        -1.268515      2.083347  
1 1 1 23 10 0  o 9.442044 1.861707  24.00000   7.500000 0.000000       0.000000  
1 1 1 23 10 1  o 3.365194 1.530011  -2.500000  5.400000 -0.3922360     1.736861  
1 1 1 23 10 2  o 3.004057 1.420240  -5.500000  5.400000 0.6588573      1.784504  
1 1 1 23 10 3  o 9.879481 1.251812  24.80000   5.800000 -2.475869      1.786612  
1 1 1 23 10 4  o 4.617451 1.758716  4.400000   5.400000 0.3116884      2.001252  
1 1 1 23 10 5  o 5.538800 1.886119  8.000000   6.000000 -2.141744      1.869565  
1 1 1 23 10 6  x ?        ?         ?          ?        0.9076703      1.826540  
1 1 1 23 10 7  x ?        ?         ?          ?        0.5412056      2.234066  
1 1 1 23 11 0  o 3.337136 2.075556  1.900000   6.700000 0.000000       0.000000  
1 1 1 23 11 1  f 6.916249 1.699829  13.00000   5.600000 -0.5103240     2.093753  
1 1 1 23 11 2  o 3.830238 1.709847  -1.400000  6.400000 1.133625       1.877327  
1 1 1 23 11 3  o 11.52501 1.173915  33.60000   6.400000 0.1499529      1.517630  
1 1 1 23 11 4  o 3.533229 1.586727  -1.600000  5.600000 -1.531314      2.126249  
1 1 1 23 11 5  x ?        ?         ?          ?        1.287666       2.079583  
1 1 1 23 11 6  x ?        ?         ?          ?        1.121634       2.090077  
1 1 1 23 12 0  o 3.371317 2.349385  -12.00000  13.70000 0.000000       0.000000  
1 1 1 23 12 1  o 7.482363 2.016083  16.00000   7.400000 2.825228       1.608560  
1 1 1 23 12 2  o 2.931218 1.418112  -8.600000  6.100000 0.4238002      1.564023  
1 1 1 23 12 3  o 5.995554 1.781759  10.00000   5.500000 -2.208524      2.071656  
1 1 1 23 12 4  x ?        ?         ?          ?        0.7717142      2.024230  
1 1 1 23 12 5  x ?        ?         ?          ?        -1.484212      2.221870  
1 1 1 23 12 6  x ?        ?         ?          ?        0.3232827      1.889326  
1 1 1 23 13 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 23 13 1  o 6.404945 2.483362  11.80000   10.90000 -2.099639      1.925839  
1 1 1 23 13 2  o 5.755394 2.411633  7.400000   11.20000 -1.413671      2.164191  
1 1 1 23 13 3  x ?        ?         ?          ?        -0.4784098     1.904996  
1 1 1 23 13 4  x ?        ?         ?          ?        -0.5157201     1.830756  
1 1 1 23 13 5  x ?        ?         ?          ?        0.4608727      2.145152  
1 1 1 23 14 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 23 14 1  x ?        ?         ?          ?        0.1432960      1.990015  
1 1 1 23 14 2  x ?        ?         ?          ?        1.990492       2.022890  
1 1 1 23 14 3  x ?        ?         ?          ?        0.1846683      1.928174  
1 1 1 23 14 4  x ?        ?         ?          ?        -1.113712      1.950302  
1 1 1 23 14 5  x ?        ?         ?          ?        -0.7390683     2.010598  
1 1 1 23 15 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 23 15 1  x ?        ?         ?          ?        0.2621830      2.289530  
1 1 1 23 15 2  x ?        ?         ?          ?        0.6043134      2.569603  
1 1 1 23 15 3  x ?        ?         ?          ?        -0.2428269     2.328812  
1 1 1 23 15 4  x ?        ?         ?          ?        -0.2249675     2.498170  
1 1 1 23 16 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 23 16 1  x ?        ?         ?          ?        -1.030597      2.420656  
1 1 1 23 16 2  x ?        ?         ?          ?        -0.3499286     2.087266  
1 1 1 24 0  0  o 3.248448 2.248411  -9.700000  12.00000 0.000000       0.000000  
1 1 1 24 0  1  o 23.38067 0.8315065 132.0000   9.300000 0.000000       0.000000  
1 1 1 24 0  2  o 12.68709 1.353142  40.20000   8.000000 0.000000       0.000000  
1 1 1 24 0  3  o 5.242619 2.640658  10.00000   8.200000 0.000000       0.000000  
1 1 1 24 0  4  o 18.16014 1.087889  80.40000   9.400000 0.000000       0.000000  
1 1 1 24 0  5  o 3.278198 2.113568  0.2000000  7.700000 0.000000       0.000000  
1 1 1 24 0  6  o 4.369077 2.596448  5.500000   9.500000 0.000000       0.000000  
1 1 1 24 0  7  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 24 0  8  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 24 1  0  o 9.165329 2.395165  24.20000   9.100000 0.000000       0.000000  
1 1 1 24 1  1  o 13.72905 0.9162300 46.30000   6.000000 0.8702102      1.449630  
1 1 1 24 1  2  o 19.03601 0.6898533 87.90000   6.300000 -0.6938410     1.045606  
1 1 1 24 1  3  o 4.670039 1.864290  3.500000   6.300000 3.313154       1.981426  
1 1 1 24 1  4  o 7.620783 1.734774  15.40000   6.200000 0.9783034      2.129183  
1 1 1 24 1  5  o 7.800897 1.603390  15.90000   5.800000 0.6353569E-01  1.994969  
1 1 1 24 1  6  f 5.098953 1.932544  5.400000   6.500000 -1.724583      2.005325  
1 1 1 24 1  7  x ?        ?         ?          ?        -0.5106950E-01 1.633425  
1 1 1 24 1  8  x ?        ?         ?          ?        -0.4149952     1.914712  
1 1 1 24 2  0  o 10.48860 1.758252  28.80000   8.100000 0.000000       0.000000  
1 1 1 24 2  1  o 9.821134 1.282878  24.40000   5.900000 2.294410       1.834522  
1 1 1 24 2  2  o 6.722664 1.679262  12.00000   5.400000 1.078568       2.005147  
1 1 1 24 2  3  o 5.899345 1.826556  9.100000   5.700000 1.171593       2.081561  
1 1 1 24 2  4  o 3.923170 1.699529  -0.1000000 5.900000 0.4562995      1.944964  
1 1 1 24 2  5  o 10.16997 1.300548  26.10000   6.200000 0.2371383      1.947713  
1 1 1 24 2  6  o 4.559541 1.829426  3.200000   6.100000 -1.227337      1.970936  
1 1 1 24 2  7  x ?        ?         ?          ?        0.8521628      1.922215  
1 1 1 24 2  8  x ?        ?         ?          ?        -0.3875723     1.839039  
1 1 1 24 3  0  f 11.34940 1.760809  33.40000   8.900000 0.000000       0.000000  
1 1 1 24 3  1  o 3.206431 1.493415  -4.500000  5.600000 -1.177140      1.942888  
1 1 1 24 3  2  o 14.44565 0.8844669 51.20000   6.100000 0.2489882      1.247328  
1 1 1 24 3  3  o 9.697752 1.277777  23.80000   5.800000 -1.248397      1.822719  
1 1 1 24 3  4  o 3.283647 1.512027  -3.600000  5.500000 -1.055252      1.803813  
1 1 1 24 3  5  o 5.673486 1.852754  8.200000   5.800000 -0.7676537     2.046760  
1 1 1 24 3  6  o 8.988103 1.264069  20.50000   5.300000 1.424485       1.765169  
1 1 1 24 3  7  x ?        ?         ?          ?        -0.3625171     1.796486  
1 1 1 24 3  8  x ?        ?         ?          ?        -2.291066      2.217097  
1 1 1 24 4  0  o 2.239192 1.603552  -12.50000  8.000000 0.000000       0.000000  
1 1 1 24 4  1  o 6.553473 1.748717  11.50000   5.600000 1.697522       2.033033  
1 1 1 24 4  2  o 5.870383 1.881698  9.000000   6.000000 1.198333       2.046844  
1 1 1 24 4  3  o 14.46534 0.8247861 51.20000   5.700000 -1.144874      1.364396  
1 1 1 24 4  4  o 6.921763 1.769847  12.80000   5.900000 -2.730620      1.782621  
1 1 1 24 4  5  o 5.460704 1.822342  7.500000   5.600000 0.2216210      2.040138  
1 1 1 24 4  6  o 4.500875 1.710393  4.100000   5.100000 -0.2284133     1.902292  
1 1 1 24 4  7  x ?        ?         ?          ?        -0.3280582     1.794364  
1 1 1 24 4  8  x ?        ?         ?          ?        -0.4399509     2.101993  
1 1 1 24 5  0  o 6.957872 2.763026  16.40000   8.900000 0.000000       0.000000  
1 1 1 24 5  1  o 4.551349 1.808148  3.500000   5.900000 -2.253581      1.902204  
1 1 1 24 5  2  o 3.471575 1.564540  -2.100000  5.500000 0.4650035      1.809674  
1 1 1 24 5  3  o 10.14878 1.281438  26.10000   6.100000 -1.013817      1.923764  
1 1 1 24 5  4  o 5.408206 1.926716  7.000000   6.300000 0.9084620      2.032784  
1 1 1 24 5  5  o 5.264992 1.821129  6.800000   5.600000 -0.1741018     1.998359  
1 1 1 24 5  6  x ?        ?         ?          ?        -1.006643      2.073538  
1 1 1 24 5  7  x ?        ?         ?          ?        0.6292357      1.904904  
1 1 1 24 6  0  o 4.471198 2.593760  6.200000   9.100000 0.000000       0.000000  
1 1 1 24 6  1  o 9.635263 1.404194  23.90000   6.300000 -1.412690      1.810474  
1 1 1 24 6  2  o 7.973306 1.598090  16.80000   5.900000 1.739386       2.118495  
1 1 1 24 6  3  o 5.892084 1.788770  9.200000   5.500000 -1.149466      2.026617  
1 1 1 24 6  4  o 5.372888 1.838319  7.200000   5.700000 0.2368174      1.996347  
1 1 1 24 6  5  o 5.476739 1.822088  7.700000   5.600000 1.216898       2.159963  
1 1 1 24 6  6  x ?        ?         ?          ?        1.006852       1.994022  
1 1 1 24 6  7  x ?        ?         ?          ?        -0.4917712     2.321841  
1 1 1 24 7  0  o 15.91416 1.072115  61.90000   8.100000 0.000000       0.000000  
1 1 1 24 7  1  o 13.17335 0.9720865 43.00000   6.100000 -0.9614186     1.556777  
1 1 1 24 7  2  o 5.295813 1.866905  6.900000   5.900000 1.578817       2.034801  
1 1 1 24 7  3  o 5.833663 1.932223  8.900000   6.300000 -0.6196430     2.045039  
1 1 1 24 7  4  o 5.604668 1.820055  8.200000   5.600000 0.8952665      2.117418  
1 1 1 24 7  5  o 4.568156 1.859155  3.200000   6.400000 0.9537590      1.937106  
1 1 1 24 7  6  x ?        ?         ?          ?        -1.665608      1.857226  
1 1 1 24 7  7  x ?        ?         ?          ?        0.6684191      2.081765  
1 1 1 24 8  0  o 4.816615 2.673040  8.000000   9.100000 0.000000       0.000000  
1 1 1 24 8  1  o 10.81340 1.155194  29.50000   5.900000 2.007805       1.641590  
1 1 1 24 8  2  o 3.722147 1.640101  -0.7000000 5.700000 -0.4471865     1.781477  
1 1 1 24 8  3  o 11.17247 1.213567  31.60000   6.400000 0.1683521      1.636682  
1 1 1 24 8  4  o 6.966238 1.935435  13.50000   6.700000 1.173909       2.277934  
1 1 1 24 8  5  x ?        ?         ?          ?        0.9904530      1.842631  
1 1 1 24 8  6  x ?        ?         ?          ?        2.920672       1.917766  
1 1 1 24 8  7  x ?        ?         ?          ?        -0.4692500     2.354621  
1 1 1 24 9  0  o 3.716947 2.576354  -12.30000  15.90000 0.000000       0.000000  
1 1 1 24 9  1  o 14.23280 1.364088  52.00000   9.200000 -1.082992      1.239434  
1 1 1 24 9  2  o 7.825416 1.438117  16.10000   5.200000 -1.235790      1.909985  
1 1 1 24 9  3  o 3.915594 1.650776  1.300000   5.300000 -1.058394      1.884015  
1 1 1 24 9  4  o 5.505410 2.148535  7.000000   8.200000 1.286738       1.768856  
1 1 1 24 9  5  x ?        ?         ?          ?        -0.8985548     2.131640  
1 1 1 24 9  6  x ?        ?         ?          ?        1.434271       2.113568  
1 1 1 24 10 0  o 5.998616 3.521468  11.60000   17.10000 0.000000       0.000000  
1 1 1 24 10 1  o 5.923999 2.399332  7.800000   10.60000 -0.9218097E-01 1.781122  
1 1 1 24 10 2  o 6.395276 2.191406  11.60000   8.100000 -0.2158873     1.772394  
1 1 1 24 10 3  o 5.995785 2.233267  9.700000   8.600000 -0.6116436     1.823889  
1 1 1 24 10 4  x ?        ?         ?          ?        -0.1026926     1.579781  
1 1 1 24 10 5  x ?        ?         ?          ?        0.000000       1.578220  
1 1 1 24 10 6  x ?        ?         ?          ?        0.6659839      2.159099  
1 1 1 24 11 0  o 3.815740 2.435079  1.300000   9.900000 0.000000       0.000000  
1 1 1 24 11 1  f 5.572850 2.308815  6.600000   10.10000 0.3342147      2.034057  
1 1 1 24 11 2  o 5.778607 2.153642  9.200000   8.000000 1.562135       1.842261  
1 1 1 24 11 3  x ?        ?         ?          ?        -3.248705      1.962986  
1 1 1 24 11 4  x ?        ?         ?          ?        0.7009554E-01  2.025259  
1 1 1 24 11 5  x ?        ?         ?          ?        -0.4338584     2.275935  
1 1 1 24 12 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 24 12 1  x ?        ?         ?          ?        -0.1593039     1.871167  
1 1 1 24 12 2  x ?        ?         ?          ?        0.5870063      2.015523  
1 1 1 24 12 3  x ?        ?         ?          ?        -0.3761535     1.709104  
1 1 1 24 12 4  x ?        ?         ?          ?        0.4542410      2.357991  
1 1 1 24 12 5  x ?        ?         ?          ?        -0.7418461     2.237132  
1 1 1 24 13 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 24 13 1  x ?        ?         ?          ?        1.352924       2.051861  
1 1 1 24 13 2  x ?        ?         ?          ?        -0.1677666     1.596781  
1 1 1 24 13 3  x ?        ?         ?          ?        -0.8480430     2.104375  
1 1 1 24 13 4  x ?        ?         ?          ?        0.7443056      1.868638  
1 1 1 24 14 0  x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 24 14 1  x ?        ?         ?          ?        -0.3443651     1.948491  
1 1 1 24 14 2  x ?        ?         ?          ?        -0.6831458     2.072147  
1 1 1 24 14 3  x ?        ?         ?          ?        -0.2825282     2.715030  
1 1 1 24 15 0  x ?        ?         ?          ?        ?              ?         
1 1 1 24 15 1  x ?        ?         ?          ?        0.000000       1.509224  
1 1 1 25 0  1  f 18.25099 0.9538965 80.90000   8.300000 0.000000       0.000000  
1 1 1 25 0  2  o 3.756278 2.360464  2.000000   8.900000 0.000000       0.000000  
1 1 1 25 0  3  o 11.28963 1.995441  33.80000   9.800000 -0.000000      0.000000  
1 1 1 25 0  4  o 2.357547 1.664989  -9.000000  7.600000 0.000000       0.000000  
1 1 1 25 0  5  o 4.820624 2.760382  7.800000   10.10000 0.000000       0.000000  
1 1 1 25 0  6  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 25 0  7  x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 25 1  0  o 6.217567 2.837309  13.90000   9.200000 0.000000       0.000000  
1 1 1 25 1  1  o 3.850625 1.752135  -3.000000  7.100000 -0.2442083     2.043109  
1 1 1 25 1  2  o 8.160507 1.294857  17.10000   4.900000 0.7309198      2.041257  
1 1 1 25 1  3  o 3.501288 1.614429  -3.900000  6.300000 -0.1846766E-01 1.828289  
1 1 1 25 1  4  o 3.887988 1.698693  -0.3000000 6.000000 -0.1794791     2.131390  
1 1 1 25 1  5  o 4.082837 1.755394  0.7000000  6.200000 -0.7093382     1.753425  
1 1 1 25 1  6  x ?        ?         ?          ?        1.375100       1.980717  
1 1 1 25 1  7  x ?        ?         ?          ?        0.3771470      1.845843  
1 1 1 25 2  0  o 15.18188 1.327696  57.00000   9.500000 0.000000       0.000000  
1 1 1 25 2  1  o 11.20264 1.073743  31.40000   5.700000 2.768099       1.773566  
1 1 1 25 2  2  o 13.19274 0.8900028 42.90000   5.600000 0.9700642      1.209074  
1 1 1 25 2  3  o 9.125841 1.539459  21.80000   6.500000 1.063549       1.886135  
1 1 1 25 2  4  o 4.613266 1.982415  1.200000   7.900000 0.2427781      1.659798  
1 1 1 25 2  5  o 8.778434 1.502475  20.30000   6.100000 -1.169080      2.015738  
1 1 1 25 2  6  x ?        ?         ?          ?        -1.113413      2.055577  
1 1 1 25 2  7  x ?        ?         ?          ?        -0.9471900     2.080321  
1 1 1 25 3  0  o 6.503303 2.853347  15.00000   9.300000 0.000000       0.000000  
1 1 1 25 3  1  o 3.764600 1.681560  -1.500000  6.200000 0.8019614E-01  1.846202  
1 1 1 25 3  2  o 5.377964 1.657537  7.600000   4.700000 -0.1463876     1.975957  
1 1 1 25 3  3  o 4.719080 1.827800  4.400000   5.900000 0.7427037      1.965860  
1 1 1 25 3  4  o 4.291717 1.676935  3.400000   5.000000 -1.123000      2.211301  
1 1 1 25 3  5  x ?        ?         ?          ?        0.1070273      1.722265  
1 1 1 25 3  6  x ?        ?         ?          ?        0.9290257      2.061868  
1 1 1 25 3  7  x ?        ?         ?          ?        0.4187317      2.052868  
1 1 1 25 4  0  o 6.045327 2.860049  13.30000   9.400000 -0.000000      0.000000  
1 1 1 25 4  1  o 8.917300 1.477636  20.80000   6.100000 1.060644       1.671900  
1 1 1 25 4  2  o 6.395383 1.963057  11.20000   6.600000 -0.5286977     2.066736  
1 1 1 25 4  3  o 4.584953 1.822805  3.700000   6.000000 -1.214629      2.008811  
1 1 1 25 4  4  o 4.859595 1.702225  5.800000   4.900000 -0.8219366     2.082110  
1 1 1 25 4  5  x ?        ?         ?          ?        -2.850626      2.168133  
1 1 1 25 4  6  x ?        ?         ?          ?        0.4709058      1.686258  
1 1 1 25 4  7  x ?        ?         ?          ?        -0.8475971E-01 2.969695  
1 1 1 25 5  0  o 3.073580 2.108385  -6.400000  10.00000 0.000000       0.000000  
1 1 1 25 5  1  o 4.344412 1.859391  1.200000   6.900000 -0.8730173E-01 1.957387  
1 1 1 25 5  2  o 8.393226 1.572721  18.70000   6.100000 -1.053246      1.875829  
1 1 1 25 5  3  o 7.727360 1.811800  16.40000   6.600000 0.9168530E-01  2.036744  
1 1 1 25 5  4  o 6.487614 1.992780  11.80000   6.800000 1.264612       2.085156  
1 1 1 25 5  5  x ?        ?         ?          ?        -0.7393980     2.154127  
1 1 1 25 5  6  x ?        ?         ?          ?        1.524747       2.203787  
1 1 1 25 6  0  f 2.467263 1.737730  -9.100000  8.100000 0.000000       0.000000  
1 1 1 25 6  1  f 3.693301 1.797693  -14.70000  10.20000 -0.2299659     1.747499  
1 1 1 25 6  2  o 2.980460 1.359034  -2.200000  4.300000 0.8381960      1.950794  
1 1 1 25 6  3  o 6.603310 1.809006  12.10000   5.900000 -0.9597445     1.976988  
1 1 1 25 6  4  o 5.765037 2.250613  8.100000   9.000000 -1.122195      1.941142  
1 1 1 25 6  5  x ?        ?         ?          ?        0.5772941      1.894390  
1 1 1 25 6  6  x ?        ?         ?          ?        -1.642935      2.310178  
1 1 1 25 7  0  f 7.845287 3.342288  21.90000   12.80000 0.000000       0.000000  
1 1 1 25 7  1  o 4.568487 1.946479  2.000000   7.500000 -0.2385814     2.116514  
1 1 1 25 7  2  o 6.682487 1.980093  12.70000   6.800000 1.307879       2.037807  
1 1 1 25 7  3  o 4.179545 1.742073  2.200000   5.800000 -0.4303970     2.025158  
1 1 1 25 7  4  x ?        ?         ?          ?        2.576878       2.053141  
1 1 1 25 7  5  x ?        ?         ?          ?        2.221736       1.991712  
1 1 1 25 7  6  x ?        ?         ?          ?        0.000000       1.373423  
1 1 1 25 8  0  o 3.974044 2.714691  -8.600000  16.20000 0.000000       0.000000  
1 1 1 25 8  1  o 5.279067 2.056288  6.500000   7.500000 -0.1679032     2.000063  
1 1 1 25 8  2  o 3.657334 1.691760  -3.700000  7.000000 -0.6517358     1.962740  
1 1 1 25 8  3  x ?        ?         ?          ?        2.058966       2.000540  
1 1 1 25 8  4  x ?        ?         ?          ?        -0.3276203     1.924262  
1 1 1 25 8  5  x ?        ?         ?          ?        0.7791722      1.999059  
1 1 1 25 8  6  x ?        ?         ?          ?        0.000000       1.814207  
1 1 1 25 9  0  o 4.628606 2.959106  2.300000   14.70000 0.000000       0.000000  
1 1 1 25 9  1  o 5.329143 2.152002  6.600000   8.500000 2.254276       2.087969  
1 1 1 25 9  2  x ?        ?         ?          ?        -0.2381461     1.970469  
1 1 1 25 9  3  x ?        ?         ?          ?        5.032720       1.656201  
1 1 1 25 9  4  x ?        ?         ?          ?        0.1530926      2.002476  
1 1 1 25 9  5  x ?        ?         ?          ?        0.000000       1.305477  
1 1 1 25 10 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 25 10 1  x ?        ?         ?          ?        0.000000       1.606771  
1 1 1 25 10 2  x ?        ?         ?          ?        0.2136545      2.464548  
1 1 1 25 10 3  x ?        ?         ?          ?        -1.424949      2.577200  
1 1 1 25 10 4  x ?        ?         ?          ?        0.000000       1.776796  
1 1 1 25 10 5  x ?        ?         ?          ?        0.000000       1.905194  
1 1 1 25 11 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 25 11 1  x ?        ?         ?          ?        2.117628       2.631595  
1 1 1 25 11 2  x ?        ?         ?          ?        0.3519940E-01  2.163884  
1 1 1 25 11 3  x ?        ?         ?          ?        0.000000       1.363528  
1 1 1 25 11 4  x ?        ?         ?          ?        0.000000       1.626527  
1 1 1 25 12 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 25 12 1  x ?        ?         ?          ?        -0.6490517     2.235524  
1 1 1 25 12 2  x ?        ?         ?          ?        -0.2882588     1.747587  
1 1 1 25 12 3  x ?        ?         ?          ?        -1.012357      1.842169  
1 1 1 25 13 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 25 13 1  x ?        ?         ?          ?        0.1078110      1.923190  
1 1 1 25 13 2  x ?        ?         ?          ?        -0.6770461     1.569195  
1 1 1 26 0  0  o 11.24986 4.810551  45.20000   26.50000 0.000000       0.000000  
1 1 1 26 0  1  o 3.705291 2.429760  -1.100000  10.80000 0.000000       0.000000  
1 1 1 26 0  2  o 2.221948 1.589876  -11.90000  7.800000 0.000000       0.000000  
1 1 1 26 0  3  o 4.299944 2.804394  -0.2000000 14.10000 0.000000       0.000000  
1 1 1 26 0  4  x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 26 0  5  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 26 0  6  x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 26 1  0  o 3.909253 2.543526  -0.3000000 11.50000 0.000000       0.000000  
1 1 1 26 1  1  o 4.318157 1.892582  0.3000000  7.500000 -2.222190      2.002175  
1 1 1 26 1  2  o 6.339297 1.608565  11.00000   4.900000 -0.3250427     2.084524  
1 1 1 26 1  3  o 4.395438 1.869734  2.000000   6.900000 -0.7609844E-02 2.049371  
1 1 1 26 1  4  x ?        ?         ?          ?        1.149226       2.074821  
1 1 1 26 1  5  x ?        ?         ?          ?        -1.754281      2.394222  
1 1 1 26 1  6  x ?        ?         ?          ?        -0.4448595     2.061487  
1 1 1 26 2  0  o 6.134460 2.982600  13.90000   10.30000 0.000000       0.000000  
1 1 1 26 2  1  o 5.455912 1.805296  8.000000   5.500000 1.258173       2.007537  
1 1 1 26 2  2  f 3.304891 1.537142  -4.000000  5.900000 -2.887750      1.975196  
1 1 1 26 2  3  o 5.285440 2.197776  5.200000   9.200000 1.948743       2.278826  
1 1 1 26 2  4  x ?        ?         ?          ?        1.715639       1.822380  
1 1 1 26 2  5  x ?        ?         ?          ?        0.1289325      2.222449  
1 1 1 26 2  6  x ?        ?         ?          ?        -0.3666587     1.972824  
1 1 1 26 3  0  o 3.734362 2.255475  3.500000   7.400000 0.000000       0.000000  
1 1 1 26 3  1  o 3.491549 1.470627  1.000000   4.200000 0.5548387      2.132839  
1 1 1 26 3  2  o 5.187862 1.951671  6.600000   6.600000 1.181169       2.219381  
1 1 1 26 3  3  x ?        ?         ?          ?        -0.1901493     1.778037  
1 1 1 26 3  4  x ?        ?         ?          ?        -1.370222      1.800095  
1 1 1 26 3  5  x ?        ?         ?          ?        1.689973       1.817407  
1 1 1 26 3  6  x ?        ?         ?          ?        0.000000       1.740825  
1 1 1 26 4  0  o 3.648422 2.274902  2.300000   8.100000 0.000000       0.000000  
1 1 1 26 4  1  o 4.535299 1.642637  5.000000   4.600000 0.2168708      2.051419  
1 1 1 26 4  2  o 4.461269 1.693972  4.500000   5.000000 0.6387329      2.080263  
1 1 1 26 4  3  x ?        ?         ?          ?        -0.8793738     1.996191  
1 1 1 26 4  4  x ?        ?         ?          ?        -1.453278      2.151214  
1 1 1 26 4  5  x ?        ?         ?          ?        0.2804091      2.101910  
1 1 1 26 5  0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 26 5  1  o 5.484226 2.164200  7.400000   8.400000 1.649091       2.047955  
1 1 1 26 5  2  o 3.691306 1.589603  0.8000000  5.100000 -0.5643132     2.014020  
1 1 1 26 5  3  x ?        ?         ?          ?        0.6978853      2.324012  
1 1 1 26 5  4  x ?        ?         ?          ?        0.7344396      2.355534  
1 1 1 26 5  5  x ?        ?         ?          ?        -0.3218944     1.612548  
1 1 1 26 6  0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 26 6  1  x ?        ?         ?          ?        -0.7547853     2.056116  
1 1 1 26 6  2  x ?        ?         ?          ?        -0.1695375     1.832358  
1 1 1 26 6  3  x ?        ?         ?          ?        -0.6775045     2.574953  
1 1 1 26 6  4  x ?        ?         ?          ?        -2.576029      2.569129  
1 1 1 26 6  5  x ?        ?         ?          ?        ?              ?         
1 1 1 26 7  0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 26 7  1  x ?        ?         ?          ?        0.5250454E-02  1.960792  
1 1 1 26 7  2  x ?        ?         ?          ?        -2.275918      2.035430  
1 1 1 26 7  3  x ?        ?         ?          ?        -0.6798255     2.384878  
1 1 1 26 7  4  x ?        ?         ?          ?        -3.142668      2.482427  
1 1 1 26 7  5  x ?        ?         ?          ?        ?              ?         
1 1 1 26 8  0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 26 8  1  x ?        ?         ?          ?        -0.8302321     2.046711  
1 1 1 26 8  2  x ?        ?         ?          ?        -0.9363985     1.809983  
1 1 1 26 8  3  x ?        ?         ?          ?        0.8872020      2.196803  
1 1 1 26 8  4  x ?        ?         ?          ?        0.3218098      2.246556  
1 1 1 26 9  0  x ?        ?         ?          ?        -0.000000      0.000000  
1 1 1 26 9  1  x ?        ?         ?          ?        -0.2759316     2.727518  
1 1 1 26 9  2  x ?        ?         ?          ?        -1.299936      2.288208  
1 1 1 26 9  3  x ?        ?         ?          ?        0.000000       1.901096  
1 1 1 26 10 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 26 10 1  x ?        ?         ?          ?        -0.2521000     2.301938  
1 1 1 26 10 2  x ?        ?         ?          ?        0.000000       1.353597  
1 1 1 26 10 3  x ?        ?         ?          ?        0.000000       1.751637  
1 1 1 26 11 0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 26 11 1  x ?        ?         ?          ?        ?              ?         
1 1 1 27 0  1  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 27 0  2  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 27 0  3  x ?        ?         ?          ?        ?              ?         
1 1 1 27 0  4  x ?        ?         ?          ?        ?              ?         
1 1 1 27 1  0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 27 1  1  x ?        ?         ?          ?        -1.494270      2.033655  
1 1 1 27 1  2  x ?        ?         ?          ?        1.226304       2.061038  
1 1 1 27 1  3  x ?        ?         ?          ?        2.053146       2.373452  
1 1 1 27 1  4  x ?        ?         ?          ?        -0.3703704     2.348854  
1 1 1 27 2  0  x ?        ?         ?          ?        ?              ?         
1 1 1 27 2  1  x ?        ?         ?          ?        -2.055112      2.730960  
1 1 1 27 2  2  x ?        ?         ?          ?        0.000000       1.788024  
1 1 1 27 2  3  x ?        ?         ?          ?        0.5804462      1.967663  
1 1 1 27 2  4  x ?        ?         ?          ?        0.6996121      1.842656  
1 1 1 27 3  0  x ?        ?         ?          ?        ?              ?         
1 1 1 27 3  1  x ?        ?         ?          ?        ?              ?         
1 1 1 27 3  2  x ?        ?         ?          ?        ?              ?         
1 1 1 27 3  3  x ?        ?         ?          ?        0.000000       1.654548  
1 1 1 27 3  4  x ?        ?         ?          ?        0.5742910      2.116572  
1 1 1 27 4  0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 27 4  1  x ?        ?         ?          ?        1.052913       2.992558  
1 1 1 27 4  2  x ?        ?         ?          ?        ?              ?         
1 1 1 27 4  3  x ?        ?         ?          ?        ?              ?         
1 1 1 27 4  4  x ?        ?         ?          ?        0.000000       1.703857  
1 1 1 27 5  0  x ?        ?         ?          ?        ?              ?         
1 1 1 27 5  1  x ?        ?         ?          ?        0.000000       1.944249  
1 1 1 27 5  2  x ?        ?         ?          ?        -0.4147706     2.518570  
1 1 1 27 5  3  x ?        ?         ?          ?        0.000000       1.753546  
1 1 1 27 5  4  x ?        ?         ?          ?        ?              ?         
1 1 1 27 6  0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 27 6  1  x ?        ?         ?          ?        0.7600873      1.975434  
1 1 1 27 6  2  x ?        ?         ?          ?        0.000000       1.662862  
1 1 1 27 6  3  x ?        ?         ?          ?        ?              ?         
1 1 1 27 7  0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 27 7  1  x ?        ?         ?          ?        0.2254856      1.978263  
1 1 1 27 7  2  x ?        ?         ?          ?        0.2909584      2.467549  
1 1 1 27 7  3  x ?        ?         ?          ?        0.000000       1.399619  
1 1 1 27 8  0  x ?        ?         ?          ?        0.000000       0.000000  
1 1 1 27 8  1  x ?        ?         ?          ?        0.000000       1.619356  
1 1 1 27 8  2  x ?        ?         ?          ?        0.000000       1.490353  
1 1 1 28 0  0  x ?        ?         ?          ?        ?              ?         
1 1 1 28 0  1  x ?        ?         ?          ?        ?              ?         
1 1 1 28 0  2  x ?        ?         ?          ?        ?              ?         
1 1 1 28 1  0  x ?        ?         ?          ?        ?              ?         
1 1 1 28 1  1  x ?        ?         ?          ?        ?              ?         
1 1 1 28 1  2  x ?        ?         ?          ?        0.000000       1.141044  
1 1 1 28 2  0  x ?        ?         ?          ?        ?              ?         
1 1 1 28 2  1  x ?        ?         ?          ?        ?              ?         
1 1 1 28 2  2  x ?        ?         ?          ?        0.000000       1.139005  
1 1 1 28 3  0  x ?        ?         ?          ?        ?              ?         
1 1 1 28 3  1  x ?        ?         ?          ?        ?              ?         
1 1 1 28 3  2  x ?        ?         ?          ?        ?              ?         
1 1 1 28 4  0  x ?        ?         ?          ?        ?              ?         
1 1 1 28 4  1  x ?        ?         ?          ?        ?              ?         
1 1 1 28 5  0  x ?        ?         ?          ?        0.000000       0.000000  
# 
#END OF REFLECTIONS
